data_2lr0_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 2lr0 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.475 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 14.8 tpt . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.273 -0.64 . . . . 72.44 109.273 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.591 ' HZ1' ' HA ' ' A' ' 45' ' ' LEU . 11.2 ptpt -118.89 136.76 53.88 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.261 0.624 . . . . 74.14 110.215 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.543 HD13 ' HB1' ' A' ' 124' ' ' ALA . 70.0 mt -94.06 105.12 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.019 0.928 . . . . 75.42 109.169 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.434 HD11 ' HD3' ' A' ' 2' ' ' LYS . 11.1 mp -100.33 127.1 46.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.443 0.697 . . . . 75.35 110.198 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 60.2 mt -105.4 104.37 16.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 107.182 -1.414 . . . . 73.24 107.182 165.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.2 127.56 35.44 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.077 -1.083 . . . . 73.24 108.077 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.5 HG13 HG21 ' A' ' 18' ' ' ILE . 44.4 mm -122.35 121.94 65.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.77 0 C-N-CA 123.948 0.899 . . . . 75.33 109.508 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.517 ' HB2' HD23 ' A' ' 64' ' ' LEU . 33.7 t30 -126.48 101.25 6.6 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 107.954 -1.128 . . . . 65.04 107.954 170.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' A' ' 83' ' ' ALA . 2.7 t -130.87 139.49 50.13 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.386 -0.825 . . . . 72.02 109.282 171.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -75.67 -18.1 59.75 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 109.305 -0.628 . . . . 74.02 109.305 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -79.41 88.71 5.0 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.144 -1.428 . . . . 73.43 107.144 170.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.75 -21.96 65.25 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.381 0.672 . . . . 75.43 111.541 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -77.66 -29.26 51.49 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.057 0.943 . . . . 74.42 110.965 174.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.55 -30.54 70.87 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.014 0.526 . . . . 74.24 110.152 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.564 HG21 ' HG3' ' A' ' 57' ' ' LYS . 63.4 mt -59.95 -40.08 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 122.909 0.484 . . . . 72.53 110.275 173.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 14.6 mmmm -63.49 -31.32 72.45 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.697 0.623 . . . . 73.34 111.138 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HE2' HD11 ' A' ' 114' ' ' LEU . 45.3 mtpt -75.62 -43.67 46.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.545 0.738 . . . . 74.1 110.51 177.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.5 HG21 HG13 ' A' ' 7' ' ' ILE . 84.5 mt -62.11 -30.61 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 114.823 -1.08 . . . . 74.11 110.205 175.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 25.0 mtpp -61.58 -51.25 69.3 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-O 118.371 -0.823 . . . . 72.1 109.257 171.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -52.94 -41.08 64.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 123.504 0.502 . . . . 72.24 111.02 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.5 -52.89 63.75 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.277 0.985 . . . . 72.51 110.903 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.626 HG11 HD13 ' A' ' 55' ' ' LEU . 14.1 m -78.88 -24.19 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 N-CA-C 112.755 0.65 . . . . 75.21 112.755 -173.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 64.6 mm-40 -69.29 -39.2 78.46 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.815 0.846 . . . . 75.23 109.497 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -67.21 -21.67 65.75 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.902 -1.045 . . . . 65.35 111.309 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -102.89 -0.27 31.41 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.799 0.84 . . . . 73.54 111.327 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.77 37.15 27.07 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 115.127 0.811 . . . . 73.53 115.127 171.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.503 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 7.8 m-85 -89.95 135.92 33.36 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.212 0.605 . . . . 74.51 109.908 174.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -82.28 115.02 21.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.865 0.866 . . . . 75.3 109.204 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.9 t -81.97 108.48 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.662 0.385 . . . . 75.04 110.516 -176.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -97.78 162.59 13.19 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.407 1.483 . . . . 73.11 109.205 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.57 123.23 8.57 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.262 0.553 . . . . 70.41 111.589 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.47 HG12 HD13 ' A' ' 63' ' ' LEU . 26.9 t -95.83 122.29 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.802 0.841 . . . . 73.14 109.467 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -103.24 -34.91 8.64 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.091 0.556 . . . . 73.12 111.838 -177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -147.72 170.28 17.9 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.343 0.657 . . . . 72.1 110.266 -169.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t -65.38 -37.37 86.81 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.155 0.982 . . . . 74.12 111.952 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.75 -46.65 84.39 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.735 0.814 . . . . 75.54 109.59 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.41 -37.59 84.04 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.946 -1.024 . . . . 74.43 110.59 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 67' ' ' MET . 67.9 tp -58.34 -56.67 19.03 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.82 0.848 . . . . 74.31 110.704 -177.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -32.36 73.9 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 123.848 0.718 . . . . 62.43 111.513 -176.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -58.01 -48.39 80.18 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.402 0.62 . . . . 73.32 111.65 172.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -75.55 -23.68 56.63 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.884 -1.053 . . . . 75.42 111.077 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.473 ' SD ' HD13 ' A' ' 45' ' ' LEU . 72.9 mmm -71.4 -31.71 67.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.148 0.579 . . . . 74.41 110.143 173.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -37.46 87.55 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 115.992 -0.549 . . . . 72.24 109.723 174.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -64.72 -36.75 85.31 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.525 0.516 . . . . 75.14 111.092 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.591 ' HA ' ' HZ1' ' A' ' 2' ' ' LYS . 76.6 mt -69.09 -28.04 66.14 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 122.781 0.432 . . . . 74.43 110.88 176.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.43 -40.35 30.13 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.683 0.793 . . . . 75.34 111.747 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -74.53 -52.52 11.66 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.988 0.915 . . . . 73.1 111.354 -175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' HE3' ' A' ' 2' ' ' LYS . 41.1 mt-10 -77.98 94.26 4.59 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.591 -0.732 . . . . 72.25 109.326 -177.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -93.02 -16.15 25.37 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.751 0.82 . . . . 74.04 110.058 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -62.25 147.97 46.32 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.838 0.855 . . . . 74.25 110.437 175.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.475 ' HA ' ' O ' ' A' ' 1' ' ' MET . 79.2 t80 -65.47 120.36 12.71 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.554 0.742 . . . . 74.2 110.477 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -154.94 145.93 22.63 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.441 0.639 . . . . 73.03 110.972 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 6.6 mtmp? -97.04 120.95 38.35 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.395 1.478 . . . . 75.21 108.808 177.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.7 mt -125.8 136.77 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.647 0.779 . . . . 74.33 109.953 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.626 HD13 HG11 ' A' ' 22' ' ' VAL . 24.0 tp -100.16 113.05 25.42 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.343 -0.984 . . . . 74.12 108.343 169.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.6 mm -92.65 110.43 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.221 -0.659 . . . . 73.31 109.221 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.564 ' HG3' HG21 ' A' ' 15' ' ' ILE . 6.3 tmtm? -93.87 119.16 32.43 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.639 0.776 . . . . 63.44 108.955 174.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.5 t -156.94 118.41 3.75 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.384 -0.969 . . . . 61.51 108.384 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -94.73 8.46 42.44 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.235 1.014 . . . . 72.32 111.318 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.41 ' HB3' HD11 ' A' ' 63' ' ' LEU . 28.8 t70 -108.9 101.9 10.96 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.79 -0.819 . . . . 74.53 108.79 173.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -18.78 49.9 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 113.887 1.069 . . . . 71.21 113.887 -174.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -69.91 -46.35 65.6 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.746 -0.465 . . . . 74.54 109.746 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.47 HD13 HG12 ' A' ' 32' ' ' VAL . 83.4 mt -55.69 -35.62 66.26 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 124.002 0.814 . . . . 71.4 111.288 176.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 8' ' ' ASN . 11.2 mp -64.24 -53.25 52.1 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.827 0.851 . . . . 74.0 111.496 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -60.88 -47.18 87.56 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.925 0.766 . . . . 75.13 109.981 -174.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.05 -37.13 86.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.89 -1.05 . . . . 75.13 111.317 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.422 ' HB2' HD12 ' A' ' 38' ' ' LEU . 33.9 ttm -59.28 -51.84 68.24 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.056 0.942 . . . . 73.42 110.276 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.531 HD23 HD13 ' A' ' 71' ' ' ILE . 96.2 mt -66.28 -32.44 73.85 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.362 1.039 . . . . 73.22 111.793 -175.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.57 -30.57 70.22 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.232 0.613 . . . . 74.11 111.058 175.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.8 mt -84.58 -26.8 27.71 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.09 0.556 . . . . 74.24 111.31 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.531 HD13 HD23 ' A' ' 68' ' ' LEU . 58.7 mt -69.74 -22.63 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.625 0.77 . . . . 72.43 109.987 173.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.4 m -60.65 -20.6 61.25 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.566 0.746 . . . . 73.42 112.023 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.73 -28.83 40.47 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.753 0.821 . . . . 74.34 111.057 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.1 mt -85.62 -48.33 8.99 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.848 0.859 . . . . 71.2 110.707 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.4 80.67 0.77 Allowed Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.936 -0.575 . . . . 63.43 113.544 173.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -152.29 167.07 29.83 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.183 0.593 . . . . 61.13 110.89 172.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -73.57 111.19 8.48 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.009 -0.996 . . . . 73.01 110.125 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.402 HG21 HG21 ' A' ' 71' ' ' ILE . 23.0 t -108.5 139.95 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.782 -0.822 . . . . 73.11 108.782 172.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.559 ' HA ' ' HB3' ' A' ' 103' ' ' GLU . 94.0 m-85 -103.91 146.96 27.9 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.629 1.172 . . . . 74.53 107.974 176.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.9 tp -142.28 139.27 31.83 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.874 0.47 . . . . 73.12 110.053 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.9 tp -129.66 134.95 47.96 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.405 1.082 . . . . 73.3 109.118 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.508 ' HB3' HD22 ' A' ' 90' ' ' LEU . 80.9 mt -121.42 110.36 15.98 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.51 1.124 . . . . 73.25 108.425 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.536 ' HB2' ' HB ' ' A' ' 9' ' ' THR . . . -126.32 110.92 13.93 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 121.307 0.575 . . . . 64.44 111.109 -178.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.527 ' HB3' HD11 ' A' ' 90' ' ' LEU . 20.8 t70 -170.78 153.7 4.1 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.246 0.618 . . . . 74.31 109.866 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -71.36 -24.18 62.04 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.921 0.889 . . . . 71.5 111.172 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -86.61 68.87 10.29 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 107.133 -1.432 . . . . 71.45 107.133 167.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.525 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -72.1 -14.05 61.74 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 114.333 -1.303 . . . . 73.32 111.248 178.515 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -57.87 -53.7 55.27 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.654 1.181 . . . . 71.3 110.681 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -72.62 -27.9 62.43 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.086 0.241 . . . . 75.23 111.606 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 84' ' ' ASP . 79.8 mt -68.65 -36.68 78.9 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.826 0.45 . . . . 75.4 110.44 175.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 10.1 tp10 -70.45 -29.56 66.16 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 123.758 0.661 . . . . 74.24 110.094 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -39.2 39.63 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.205 0.602 . . . . 74.22 109.555 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -68.5 -41.18 80.42 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.865 -0.607 . . . . 72.42 111.895 -177.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -24.81 67.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.592 0.357 . . . . 73.14 111.373 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 2.2 mmp_? -62.25 -39.48 93.0 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 123.724 0.809 . . . . 75.01 111.426 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -68.76 -51.33 42.37 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 109.681 -0.489 . . . . 74.12 109.681 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.462 HD13 HD13 ' A' ' 68' ' ' LEU . 35.1 mm -63.94 -39.46 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 114.578 -1.192 . . . . 74.33 111.352 -170.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -69.79 -32.62 71.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.242 1.017 . . . . 72.21 110.352 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.8 m -76.25 -27.64 56.8 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.369 0.668 . . . . 73.14 111.288 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -73.5 -13.57 61.07 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.51 0.724 . . . . 63.44 110.81 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.55 31.44 21.7 Favored Glycine 0 C--N 1.346 1.13 0 O-C-N 123.261 0.351 . . . . 73.24 112.34 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -112.51 145.63 39.91 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.329 0.652 . . . . 75.55 109.992 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.559 ' HB3' ' HA ' ' A' ' 79' ' ' PHE . 8.4 tp10 -68.17 119.95 13.57 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 115.34 -0.846 . . . . 71.43 108.928 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.7 p -138.99 133.89 41.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 O-C-N 123.705 0.628 . . . . 74.35 109.413 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -130.12 119.54 23.18 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.621 0.769 . . . . 74.44 109.221 -174.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.525 ' HE3' ' HB2' ' A' ' 87' ' ' GLU . 1.5 tmtp? -94.87 120.32 34.9 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.032 0.933 . . . . 75.31 108.77 -177.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -139.0 -174.88 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.768 1.227 . . . . 70.02 109.125 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.7 p -139.53 -54.55 0.56 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.236 1.015 . . . . 60.13 109.889 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -73.89 158.37 34.59 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.411 -1.268 . . . . 63.41 112.007 -166.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.04 -59.6 5.21 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.795 1.238 . . . . 73.31 111.577 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.03 -23.96 48.01 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.244 0.218 . . . . 71.11 110.719 -174.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.7 tt0 -66.27 -34.35 77.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.376 0.67 . . . . 71.34 110.256 174.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.49 -50.06 35.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.836 0.454 . . . . 62.43 110.956 173.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.42 HD11 ' HE2' ' A' ' 17' ' ' LYS . 96.0 mt -58.52 -36.77 74.35 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.845 0.858 . . . . 75.44 112.529 -175.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -65.98 -37.05 84.97 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 123.433 0.458 . . . . 74.52 110.748 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 112' ' ' GLU . 20.4 mm -72.02 -30.14 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 O-C-N 123.472 0.482 . . . . 74.22 110.306 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.35 -43.38 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.291 0.636 . . . . 73.21 110.07 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -65.72 -30.58 71.27 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.498 -0.774 . . . . 75.23 110.465 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.407 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 37.9 mt-10 -70.84 -41.44 71.48 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 123.38 0.672 . . . . 72.54 111.167 174.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -55.23 -24.23 26.54 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 118.386 0.539 . . . . 74.03 112.037 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.419 ' HE1' HG13 ' A' ' 22' ' ' VAL . 18.7 mmt -68.42 -49.6 58.8 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.533 0.733 . . . . 74.34 110.373 174.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 19.1 pt20 -77.25 -23.15 51.3 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.132 0.573 . . . . 75.21 111.44 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 6.1 mptp? -70.33 -42.83 71.42 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.798 0.839 . . . . 75.33 108.768 172.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.543 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -67.22 -13.59 62.11 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.376 -0.829 . . . . 72.33 111.697 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.78 -29.11 71.31 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.453 0.47 . . . . 52.43 113.452 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.0 p -73.84 -29.45 62.13 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.678 0.391 . . . . 72.1 110.171 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.3 mt . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 124.073 0.949 . . . . 75.33 109.694 176.688 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.696 ' HG2' ' HB3' ' A' ' 127' ' ' LEU . 56.5 tpp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.457 -0.571 . . . . 74.21 109.457 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.494 ' HD3' HD22 ' A' ' 45' ' ' LEU . 24.1 ttmm -88.9 115.62 26.59 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.319 -0.993 . . . . 72.55 108.319 175.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.529 HD11 ' HB2' ' A' ' 124' ' ' ALA . 66.2 mt -95.63 105.76 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.501 0.72 . . . . 72.52 110.012 -173.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.2 mp -103.17 144.4 31.37 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.482 -0.562 . . . . 71.03 109.482 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 57.0 mt -122.6 112.31 33.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 107.394 -1.335 . . . . 64.13 107.394 166.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.497 HD22 ' SD ' ' A' ' 67' ' ' MET . 87.5 mt -88.4 121.52 30.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 108.678 -0.86 . . . . 74.43 108.678 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -111.11 115.25 49.38 Favored 'Isoleucine or valine' 0 C--O 1.245 0.867 0 N-CA-C 108.421 -0.955 . . . . 73.13 108.421 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -126.33 101.07 6.56 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 106.964 -1.495 . . . . 72.22 106.964 170.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.555 ' HB ' ' HB2' ' A' ' 83' ' ' ALA . 3.8 t -130.43 144.87 51.67 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 115.007 -0.997 . . . . 72.22 109.874 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -66.0 -37.78 86.81 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.452 -0.795 . . . . 74.41 109.076 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 49.9 t30 -82.96 94.1 7.67 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.014 0.926 . . . . 74.13 109.647 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.23 -21.51 62.11 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.707 0.803 . . . . 73.01 111.846 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -62.21 -34.88 77.31 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.561 0.744 . . . . 73.52 110.459 174.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 11' ' ' ASN . 31.2 tp -62.38 -35.17 78.33 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.328 1.051 . . . . 70.51 112.003 173.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.524 HD11 ' HG2' ' A' ' 57' ' ' LYS . 54.8 mt -65.81 -32.5 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 122.971 0.509 . . . . 71.33 111.208 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -59.53 -36.99 77.2 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.475 0.655 . . . . 74.1 109.859 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.519 ' HE2' HD12 ' A' ' 114' ' ' LEU . 39.7 mtpt -71.96 -48.93 41.58 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.123 -1.398 . . . . 73.14 109.91 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.92 -30.91 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.36 1.064 . . . . 74.24 111.041 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.521 ' HE3' HG12 ' A' ' 29' ' ' VAL . 59.1 mtpt -62.92 -47.67 82.26 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.957 0.503 . . . . 74.43 110.521 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -65.49 -33.08 75.09 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.195 0.198 . . . . 74.43 111.283 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -60.78 -44.14 97.17 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.395 0.678 . . . . 73.14 111.425 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 HD13 ' A' ' 55' ' ' LEU . 16.8 m -81.9 -26.87 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 112.015 0.376 . . . . 72.43 112.015 -177.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.0 -27.41 65.66 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.467 0.707 . . . . 71.34 110.57 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -55.13 -36.88 66.24 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.653 0.781 . . . . 75.11 110.827 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -108.99 7.5 25.89 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.824 0.85 . . . . 74.03 112.239 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.31 38.69 62.65 Favored Glycine 0 C--N 1.347 1.166 0 N-CA-C 115.034 0.774 . . . . 72.21 115.034 171.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.526 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 9.0 m-85 -78.82 150.59 32.27 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 117.148 0.474 . . . . 73.01 110.298 171.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.424 HE21 HG12 ' A' ' 54' ' ' ILE . 8.8 tt0 -87.22 113.18 22.72 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.193 0.997 . . . . 71.21 109.226 177.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.521 HG12 ' HE3' ' A' ' 19' ' ' LYS . 57.9 t -78.17 102.03 4.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 109.273 -0.64 . . . . 75.33 109.273 177.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.674 HH22 HD23 ' A' ' 45' ' ' LEU . 48.9 ttp180 -118.69 132.02 56.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.731 0.812 . . . . 75.54 108.967 172.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -111.37 139.42 46.79 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.224 0.61 . . . . 74.51 110.694 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.503 HG13 HD12 ' A' ' 63' ' ' LEU . 74.7 t -126.67 112.25 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.986 1.314 . . . . 73.51 107.994 174.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -113.75 -5.05 13.32 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.779 0.432 . . . . 73.44 112.051 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -136.61 157.56 46.49 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.844 0.858 . . . . 73.02 110.172 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 m -65.36 -36.2 83.28 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.372 1.069 . . . . 74.34 112.548 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.59 -47.18 86.65 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 123.628 0.58 . . . . 74.33 109.693 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.79 -32.87 74.13 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.835 -1.075 . . . . 73.31 110.684 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 67' ' ' MET . 32.1 tp -62.7 -61.22 2.57 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 124.021 0.826 . . . . 73.11 111.086 177.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.74 -26.7 67.86 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 123.345 0.403 . . . . 73.54 111.748 -174.01 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -60.78 -55.14 36.61 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.128 0.571 . . . . 74.1 111.089 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -74.49 -26.03 59.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.2 0.6 . . . . 73.34 111.11 -177.799 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.689 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -63.9 -39.22 93.68 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.324 0.65 . . . . 64.14 110.95 177.2 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.6 mmtp -66.73 -34.88 78.81 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 123.455 0.472 . . . . 73.41 110.643 175.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -62.88 -35.59 80.51 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.567 0.347 . . . . 75.44 111.343 176.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.674 HD23 HH22 ' A' ' 30' ' ' ARG . 44.5 mt -76.67 -32.15 57.74 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.442 0.697 . . . . 73.51 110.753 179.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.95 -36.69 41.2 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.654 0.782 . . . . 62.4 111.953 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.23 -40.38 52.23 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.047 0.939 . . . . 75.31 110.559 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -123.52 78.05 1.56 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.634 0.774 . . . . 73.11 109.29 -176.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -82.34 72.04 9.4 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 108.458 -0.941 . . . . 63.44 108.458 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -107.72 166.36 10.74 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.389 1.076 . . . . 72.11 109.989 -176.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -66.67 105.66 1.61 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.648 -0.871 . . . . 71.51 108.648 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -151.89 127.22 9.92 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.091 0.556 . . . . 73.24 109.803 -174.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -96.22 120.67 36.93 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.949 0.9 . . . . 73.32 109.245 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.424 HG12 HE21 ' A' ' 28' ' ' GLN . 23.6 mt -130.44 130.85 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.55 0.74 . . . . 75.0 109.553 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.674 HD13 HG13 ' A' ' 22' ' ' VAL . 25.1 tp -93.92 120.19 33.84 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.792 -1.188 . . . . 63.41 107.792 165.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.497 HG21 ' HE1' ' A' ' 67' ' ' MET . 45.4 mm -100.65 124.05 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.801 0.44 . . . . 75.33 110.349 175.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.524 ' HG2' HD11 ' A' ' 15' ' ' ILE . 5.8 tmtm? -99.58 122.81 43.16 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.793 -1.188 . . . . 74.33 107.793 171.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.506 ' HB3' HD12 ' A' ' 64' ' ' LEU . 47.9 t -146.55 135.95 22.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.663 0.385 . . . . 61.14 110.076 177.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -83.28 -41.04 18.77 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.321 0.649 . . . . 70.4 110.184 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.68 133.99 34.37 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.292 0.637 . . . . 65.1 110.265 -175.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -73.44 -32.36 64.33 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.341 1.056 . . . . 73.23 111.462 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -73.84 -25.92 60.32 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.086 0.555 . . . . 64.54 110.764 -169.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.503 HD12 HG13 ' A' ' 32' ' ' VAL . 87.8 mt -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.482 0.713 . . . . 72.11 110.84 172.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.506 HD12 ' HB3' ' A' ' 58' ' ' SER . 7.4 mp -67.49 -34.87 78.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.798 0.839 . . . . 75.51 110.621 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.607 ' HB3' ' HZ3' ' A' ' 65' ' ' LYS . 4.4 mmmp? -58.36 -58.82 6.82 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.663 0.602 . . . . 74.15 110.635 174.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' HB2' HD22 ' A' ' 38' ' ' LEU . 31.6 mt-10 -59.83 -40.89 90.01 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.184 0.928 . . . . 73.31 111.419 -175.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.689 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 55.2 ttm -58.37 -54.06 51.24 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.512 1.133 . . . . 72.44 110.814 -178.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.532 HD12 HD13 ' A' ' 97' ' ' ILE . 96.0 mt -68.85 -25.44 64.64 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.46 0.704 . . . . 75.13 112.626 -176.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -77.36 -22.18 52.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.086 0.555 . . . . 72.54 111.243 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.461 HD11 ' SD ' ' A' ' 42' ' ' MET . 97.2 mt -85.55 -33.18 21.8 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.214 0.606 . . . . 73.2 111.031 169.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.403 HD11 HD23 ' A' ' 68' ' ' LEU . 63.4 mt -71.15 -27.66 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.809 0.844 . . . . 73.25 110.727 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.7 p -64.88 -25.11 67.75 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.114 0.566 . . . . 62.31 111.702 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -77.53 -28.1 51.86 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.718 0.807 . . . . 63.14 111.131 174.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.8 mt -86.1 -38.91 17.28 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.884 0.873 . . . . 72.22 111.196 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.81 84.25 0.34 Allowed Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.55 -0.75 . . . . 70.53 113.723 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -159.72 152.0 20.92 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.141 0.977 . . . . 63.32 109.827 166.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -80.51 133.85 35.87 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.939 0.4 . . . . 74.43 111.518 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.7 t -121.01 141.16 42.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 124.197 0.999 . . . . 72.33 109.424 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.501 ' HA ' ' HB3' ' A' ' 103' ' ' GLU . 91.5 m-85 -105.11 115.48 30.34 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.734 1.214 . . . . 74.1 109.266 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.0 tp -100.47 141.28 33.54 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.909 0.484 . . . . 74.25 110.003 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.546 HD11 HG21 ' A' ' 116' ' ' ILE . 51.6 tp -132.41 117.46 18.11 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.439 1.096 . . . . 71.23 108.875 172.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.477 ' HB3' HD21 ' A' ' 90' ' ' LEU . 74.3 mt -104.67 121.97 44.69 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.877 1.271 . . . . 74.34 108.325 177.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.555 ' HB2' ' HB ' ' A' ' 9' ' ' THR . . . -128.6 110.97 12.72 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 118.77 0.714 . . . . 71.02 111.249 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -167.42 147.52 5.29 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.069 0.548 . . . . 71.53 109.749 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -68.76 -38.29 79.98 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 123.911 0.757 . . . . 74.2 110.505 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -80.34 80.59 6.76 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 122.487 1.137 . . . . 71.14 108.643 171.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.425 ' CB ' ' HE3' ' A' ' 106' ' ' LYS . 12.0 pt-20 -75.78 -13.35 60.29 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 114.027 -1.442 . . . . 71.33 112.056 -177.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -56.3 -36.85 69.13 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.716 0.806 . . . . 71.2 110.508 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.41 -49.75 68.07 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.114 -0.948 . . . . 74.31 111.099 172.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 82' ' ' LEU . 41.0 mt -70.61 -19.22 62.86 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.327 -0.851 . . . . 73.42 111.686 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.62 -41.76 62.38 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 123.829 0.852 . . . . 74.31 110.656 -174.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -68.98 -43.74 74.29 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.382 -0.372 . . . . 71.03 110.379 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -61.82 -45.01 95.66 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.261 -0.881 . . . . 71.31 111.375 -172.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.502 ' HA ' HG21 ' A' ' 104' ' ' VAL . 19.4 ptpt -60.67 -34.62 74.6 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.089 0.556 . . . . 75.12 111.746 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -72.14 -31.99 66.5 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.326 0.65 . . . . 74.34 111.352 -175.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 13.7 mptt -68.07 -49.14 63.16 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.95 0.5 . . . . 72.42 110.015 174.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.532 HD13 HD12 ' A' ' 68' ' ' LEU . 37.9 mm -67.84 -37.64 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.738 0.815 . . . . 72.34 111.422 -175.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.19 -37.97 89.39 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.164 -0.926 . . . . 73.0 110.386 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -72.35 -31.05 65.28 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.288 0.635 . . . . 71.54 110.758 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 97.0 mt-30 -71.74 -11.08 60.65 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.434 0.694 . . . . 73.53 111.195 175.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.47 15.53 52.82 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 116.439 -0.346 . . . . 31.54 113.167 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -99.99 156.58 17.08 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.089 0.556 . . . . 74.44 110.797 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.501 ' HB3' ' HA ' ' A' ' 79' ' ' PHE . 8.3 tp10 -72.87 130.25 40.0 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.935 -1.03 . . . . 74.41 108.39 176.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.502 HG21 ' HA ' ' A' ' 94' ' ' LYS . 7.6 p -138.77 122.46 19.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 CA-C-O 121.617 0.722 . . . . 72.44 110.135 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -117.51 136.78 53.0 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.322 1.049 . . . . 75.44 108.546 173.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.425 ' HE3' ' CB ' ' A' ' 87' ' ' GLU . 11.1 tmtt? -111.28 143.16 42.49 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.485 -0.931 . . . . 70.45 108.485 173.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.9 m -144.82 174.71 3.27 Favored 'Isoleucine or valine' 0 C--O 1.245 0.835 0 C-N-CA 125.317 1.447 . . . . 63.15 108.946 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.7 p -129.3 -45.26 1.23 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.659 0.784 . . . . 72.4 109.669 174.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.99 162.28 22.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.386 0.674 . . . . 64.42 111.392 -176.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 11.3 p-10 -74.17 -49.98 21.27 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 114.661 -1.154 . . . . 75.12 110.813 -176.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -29.77 68.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.731 0.412 . . . . 72.41 111.095 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.473 ' O ' HG12 ' A' ' 116' ' ' ILE . 51.0 tt0 -67.35 -39.92 85.79 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 124.27 0.981 . . . . 62.44 110.067 176.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.89 -46.45 84.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.932 0.493 . . . . 74.4 111.298 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.519 HD12 ' HE2' ' A' ' 17' ' ' LYS . 98.3 mt -61.58 -42.35 98.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.534 -0.757 . . . . 75.44 111.803 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 118' ' ' ARG . 14.6 ptmm? -69.14 -24.98 64.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.72 0.408 . . . . 73.44 110.939 -175.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.546 HG21 HD11 ' A' ' 81' ' ' LEU . 37.5 mm -70.67 -45.66 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.382 0.673 . . . . 73.3 110.13 172.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.431 HG12 ' HE2' ' A' ' 121' ' ' MET . 61.1 t -64.92 -34.45 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.587 0.755 . . . . 63.13 110.515 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.405 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 93.4 mtt180 -67.02 -35.92 80.98 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.912 0.885 . . . . 75.42 110.648 177.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.566 ' HB3' ' HZ3' ' A' ' 123' ' ' LYS . 61.7 mt-10 -75.35 -33.82 61.12 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.884 0.474 . . . . 74.11 111.409 174.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -59.07 -28.25 66.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.708 0.803 . . . . 74.53 111.499 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.461 ' HE3' HG12 ' A' ' 22' ' ' VAL . 21.1 mmt -63.29 -42.97 99.13 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.015 0.822 . . . . 73.44 110.96 175.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -78.83 -35.8 43.5 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.871 -0.604 . . . . 73.24 110.162 -172.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.566 ' HZ3' ' HB3' ' A' ' 119' ' ' GLU . 59.8 mttp -65.01 -39.28 93.19 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 114.754 -1.112 . . . . 74.21 110.956 173.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.529 ' HB2' HD11 ' A' ' 3' ' ' ILE . . . -71.15 -30.89 67.03 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.62 0.768 . . . . 74.22 111.247 176.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -67.11 -29.66 74.78 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.73 -0.668 . . . . 74.53 112.003 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.6 m -72.36 -28.29 62.94 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.496 0.718 . . . . 65.01 111.328 175.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.696 ' HB3' ' HG2' ' A' ' 1' ' ' MET . 61.4 mt . . . . . 0 N--CA 1.483 1.185 0 C-N-CA 123.404 0.682 . . . . 74.32 111.693 177.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.291 -0.633 . . . . 75.31 109.291 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -144.86 161.88 38.2 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.048 0.452 . . . . 75.31 110.875 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.558 HD11 ' HG2' ' A' ' 53' ' ' LYS . 84.0 mt -97.31 120.96 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.365 1.066 . . . . 74.24 109.506 -177.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.498 ' HB2' HG22 ' A' ' 78' ' ' VAL . 10.3 mp -120.53 123.77 43.73 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.357 -0.979 . . . . 72.32 108.357 169.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.411 ' HB ' HD12 ' A' ' 55' ' ' LEU . 50.6 mt -117.12 114.56 46.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 107.362 -1.347 . . . . 72.42 107.362 172.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.584 ' HB3' HD22 ' A' ' 64' ' ' LEU . 82.4 mt -88.99 139.08 30.81 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 108.923 -0.769 . . . . 73.54 108.923 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -128.58 115.93 39.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 123.807 0.843 . . . . 74.54 108.976 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.432 ' HB3' HD23 ' A' ' 82' ' ' LEU . 28.0 t-20 -125.5 99.49 6.05 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 107.04 -1.467 . . . . 74.0 107.04 171.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -130.22 138.04 50.35 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.32 0.648 . . . . 64.31 109.689 173.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -80.0 -14.4 58.59 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.819 0.847 . . . . 65.01 110.178 174.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -74.56 103.58 4.93 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 107.441 -1.318 . . . . 74.52 107.441 171.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.84 -53.48 55.32 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.352 0.661 . . . . 61.23 112.151 -170.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -77.77 -16.32 58.47 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.961 0.356 . . . . 73.43 111.961 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.46 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 32.6 tp -61.44 -37.46 83.62 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.996 -0.372 . . . . 74.3 109.996 170.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.413 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 92.3 mt -51.95 -52.01 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 124.067 0.855 . . . . 74.25 110.156 172.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -56.65 -41.25 76.87 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.317 1.047 . . . . 74.13 111.644 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 14' ' ' LEU . 54.8 mtpt -67.39 -39.8 85.61 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.285 -0.87 . . . . 74.44 111.417 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.434 HG12 HG21 ' A' ' 117' ' ' VAL . 82.2 mt -70.34 -34.78 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.946 0.898 . . . . 75.43 110.275 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HG2' HG13 ' A' ' 29' ' ' VAL . 62.1 mtpt -63.33 -51.8 64.45 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.145 0.578 . . . . 73.44 109.646 176.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -62.6 -32.91 74.0 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.841 0.456 . . . . 73.52 111.508 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.5 -46.39 88.66 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 123.861 0.726 . . . . 72.23 111.292 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.623 HG11 HD11 ' A' ' 55' ' ' LEU . 24.3 m -81.06 -24.85 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 115.941 -0.572 . . . . 73.41 111.304 -178.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 38.3 mt-10 -63.31 -29.06 70.44 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.361 0.664 . . . . 72.13 110.666 174.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -56.25 -29.2 60.75 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.046 0.939 . . . . 75.34 112.287 174.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -112.95 15.71 19.61 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.57 0.748 . . . . 74.41 111.597 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.59 37.91 85.6 Favored Glycine 0 C--N 1.347 1.165 0 O-C-N 123.452 0.47 . . . . 72.14 114.065 173.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -77.67 141.13 39.58 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.871 -0.418 . . . . 74.1 109.871 171.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -87.47 113.59 23.31 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.398 -0.964 . . . . 74.43 108.398 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.457 HG13 ' HG2' ' A' ' 19' ' ' LYS . 42.0 t -86.61 140.34 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.597 -0.519 . . . . 72.4 109.597 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -120.0 138.56 53.42 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.786 0.834 . . . . 75.52 108.924 172.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -105.29 112.04 25.0 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 107.887 -1.153 . . . . 71.0 107.887 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.533 ' HB ' ' HB2' ' A' ' 58' ' ' SER . 97.9 t -106.64 120.58 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.92 -0.77 . . . . 72.43 108.92 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -108.41 -60.19 1.76 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.766 0.826 . . . . 73.24 109.877 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -94.23 167.78 11.33 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.328 1.051 . . . . 72.33 111.645 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.1 m -66.68 -29.92 70.04 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.149 -0.932 . . . . 72.43 110.162 167.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.447 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 32.7 t70 -61.12 -53.09 61.41 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.504 0.722 . . . . 75.33 109.637 170.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.71 -33.81 66.84 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.841 0.857 . . . . 75.44 112.074 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.41 -61.81 2.19 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.334 -0.848 . . . . 73.23 110.596 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.553 ' HA ' ' HB2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -70.82 -25.59 62.92 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 112.963 0.727 . . . . 73.31 112.963 -171.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -52.78 -52.67 55.77 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.93 0.871 . . . . 75.11 109.901 171.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 35.6 mm-40 -84.41 -15.88 44.68 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 114.331 -1.304 . . . . 75.1 112.51 -178.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.724 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -65.69 -33.45 75.91 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 118.108 0.413 . . . . 73.15 111.376 172.074 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.93 -40.18 75.88 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.337 0.398 . . . . 75.14 110.526 168.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -65.8 -52.61 49.29 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.394 0.616 . . . . 73.2 109.934 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.478 HD23 HD21 ' A' ' 4' ' ' LEU . 72.4 mt -68.0 -20.76 65.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.529 -0.759 . . . . 64.42 111.916 -173.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.43 -51.46 6.2 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.001 0.52 . . . . 70.52 111.872 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -81.3 -50.85 9.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.486 0.714 . . . . 72.43 111.552 -173.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -71.53 113.64 8.77 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.607 -0.516 . . . . 74.14 109.607 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -114.29 -4.91 12.97 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.343 0.657 . . . . 74.34 111.484 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -64.86 150.68 47.26 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.886 0.474 . . . . 75.25 110.619 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.76 98.46 0.19 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 123.815 0.697 . . . . 75.12 110.753 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -127.46 137.55 52.72 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.59 -0.732 . . . . 63.2 109.466 173.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' HD11 ' A' ' 3' ' ' ILE . 26.9 mtmm -90.8 101.8 14.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.688 -1.142 . . . . 74.34 108.074 178.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 mt -116.08 128.81 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.141 0.577 . . . . 75.42 110.191 -174.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.623 HD11 HG11 ' A' ' 22' ' ' VAL . 14.4 tp -102.11 108.28 19.64 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 107.788 -1.19 . . . . 61.43 107.788 168.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.498 HG23 ' HE3' ' A' ' 67' ' ' MET . 23.1 mm -92.08 120.55 41.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 108.805 -0.813 . . . . 73.04 108.805 174.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -103.86 139.95 38.34 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.098 0.959 . . . . 71.21 108.617 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.533 ' HB2' ' HB ' ' A' ' 32' ' ' VAL . 44.3 t -164.6 137.37 4.79 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.866 0.729 . . . . 54.34 109.65 173.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.66 -34.9 34.48 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.301 1.04 . . . . 74.13 111.544 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -87.55 104.8 16.83 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.014 -0.539 . . . . 73.14 109.93 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.563 ' HA ' HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -57.65 -20.6 34.61 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.499 0.72 . . . . 73.41 112.676 -178.662 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -58.15 -50.78 72.3 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 123.118 0.567 . . . . 73.12 109.808 174.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.56 -40.46 87.39 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.375 1.07 . . . . 71.4 111.557 -175.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 6' ' ' LEU . 6.0 mp -66.0 -39.78 90.57 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 116.156 -0.475 . . . . 75.41 110.531 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 57.4 tttp -67.94 -47.86 67.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.745 0.418 . . . . 75.23 110.743 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -60.26 -30.37 69.39 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.981 0.912 . . . . 75.01 111.13 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.724 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 34.1 ttm -64.88 -49.31 70.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.829 -1.078 . . . . 74.1 109.936 174.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.466 HD23 HD13 ' A' ' 71' ' ' ILE . 95.8 mt -67.59 -24.23 65.47 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.506 1.122 . . . . 75.3 112.496 -176.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 17.4 mm-40 -60.62 -38.08 83.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.137 0.575 . . . . 74.54 110.347 176.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.667 HD13 ' SD ' ' A' ' 42' ' ' MET . 60.1 mt -80.89 -41.83 22.45 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.397 -0.82 . . . . 73.33 110.442 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.569 ' HA ' HD12 ' A' ' 74' ' ' LEU . 68.7 mt -60.77 -33.11 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 124.133 0.973 . . . . 75.21 112.374 -175.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.9 p -49.73 -54.35 19.4 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.467 1.107 . . . . 72.01 112.424 -175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -86.39 -8.42 57.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.854 -0.612 . . . . 75.54 112.093 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 71' ' ' ILE . 87.7 mt -69.49 -48.05 61.89 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 108.603 -0.888 . . . . 74.42 108.603 168.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.01 77.02 1.26 Allowed Glycine 0 C--N 1.347 1.146 0 CA-C-N 115.166 -0.925 . . . . 71.4 113.943 171.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.438 ' HH ' HG12 ' A' ' 71' ' ' ILE . 35.8 p90 -156.7 160.13 39.03 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.868 0.867 . . . . 75.32 109.495 169.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -75.46 122.49 23.91 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.484 -0.78 . . . . 74.13 110.924 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.541 HG23 HG22 ' A' ' 71' ' ' ILE . 60.7 t -124.31 143.56 37.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 123.501 0.721 . . . . 64.12 109.241 173.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -109.56 161.1 15.68 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.318 1.447 . . . . 73.52 108.187 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.4 tp -148.61 132.39 16.98 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.039 0.535 . . . . 73.2 110.354 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.522 HD21 ' HB1' ' A' ' 113' ' ' ALA . 35.2 tp -114.74 123.36 49.06 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.084 0.953 . . . . 73.21 109.218 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.54 ' HB3' HD21 ' A' ' 90' ' ' LEU . 97.0 mt -112.0 114.37 27.22 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.127 0.971 . . . . 70.51 108.543 176.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.1 110.77 10.93 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 118.133 0.424 . . . . 65.01 110.807 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.476 ' HB3' HD11 ' A' ' 90' ' ' LEU . 17.0 t0 -165.79 152.55 9.85 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.778 0.831 . . . . 72.31 109.079 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.29 -30.57 71.44 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.826 1.25 . . . . 75.22 110.967 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -82.63 81.14 8.54 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.175 -1.417 . . . . 74.44 107.175 167.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.728 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 8.1 pt-20 -75.48 -17.31 60.16 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 114.893 -1.049 . . . . 73.42 111.367 -178.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.436 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 2.8 t-20 -62.44 -54.49 39.35 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.987 0.805 . . . . 72.33 110.356 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -61.68 -37.64 84.86 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.734 0.814 . . . . 64.42 110.633 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 82' ' ' LEU . 78.8 mt -64.03 -42.04 97.22 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.34 -0.845 . . . . 74.14 110.743 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.622 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 32.9 tt0 -69.78 -32.79 71.47 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.747 0.654 . . . . 74.3 110.68 -174.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 88' ' ' ASN . 10.1 mm-40 -67.81 -54.54 18.29 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.73 -0.841 . . . . 74.43 108.73 173.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -58.12 -40.56 81.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.299 1.039 . . . . 74.23 112.549 -174.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.522 ' HB3' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -67.92 -28.84 67.83 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.767 0.427 . . . . 74.42 111.252 -176.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -64.46 -38.22 90.27 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 110.125 -0.324 . . . . 74.53 110.125 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 4.1 mptp? -62.32 -51.49 67.46 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.56 -0.534 . . . . 74.43 109.56 175.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.431 HD12 HD13 ' A' ' 68' ' ' LEU . 46.0 mm -63.98 -34.08 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.89 0.876 . . . . 72.25 111.475 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -73.75 -31.8 63.52 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.474 0.71 . . . . 73.31 109.711 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.0 m -79.57 -15.65 57.31 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.558 0.743 . . . . 75.43 111.18 174.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 29.3 mt-30 -83.22 -12.44 56.83 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.602 0.761 . . . . 75.32 110.191 171.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.3 46.49 3.27 Favored Glycine 0 C--N 1.354 1.536 0 O-C-N 123.781 0.676 . . . . 75.31 112.773 172.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -134.77 152.45 51.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.296 0.638 . . . . 74.13 110.695 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 71.6 tt0 -80.74 102.36 9.88 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 108.838 -0.801 . . . . 75.45 108.838 176.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.4 p -121.65 126.75 75.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 C-N-CA 123.234 0.614 . . . . 72.03 109.877 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -113.75 140.12 48.54 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.208 0.603 . . . . 73.44 109.608 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.728 ' HE2' ' HB2' ' A' ' 87' ' ' GLU . 11.8 tmtt? -112.03 115.32 28.73 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.764 1.225 . . . . 72.34 108.31 -176.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 23.1 m -135.74 -177.79 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 124.878 1.271 . . . . 73.11 109.231 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 p -135.82 -44.49 0.66 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.703 0.801 . . . . 75.15 111.025 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -91.16 166.86 12.74 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 113.038 0.755 . . . . 72.21 113.038 -171.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.402 ' HB3' ' HZ1' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -70.2 -58.68 3.5 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 113.991 -1.458 . . . . 73.12 110.892 179.612 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -28.92 70.29 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.349 0.66 . . . . 74.25 111.807 -176.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -69.8 -46.79 64.93 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.455 1.102 . . . . 74.42 110.527 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.522 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -62.06 -41.19 97.89 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.226 -0.897 . . . . 71.33 111.535 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.99 -33.94 74.02 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.897 0.879 . . . . 75.43 111.836 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 61.7 mttp -60.62 -50.98 71.33 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 123.602 0.564 . . . . 72.51 109.719 173.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.5 mm -68.43 -34.47 65.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.381 -1.282 . . . . 74.15 112.05 -170.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 113' ' ' ALA . 97.9 t -57.11 -48.45 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.416 -0.587 . . . . 74.23 109.416 174.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 38.4 mtt180 -65.49 -34.68 78.83 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.059 -0.973 . . . . 74.11 111.349 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 7.7 mm-40 -62.81 -46.21 89.0 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.047 0.539 . . . . 70.45 110.344 175.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.404 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 16.1 m-30 -57.35 -40.47 78.13 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.586 -0.734 . . . . 72.24 111.479 176.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 84.6 mtp -68.09 -23.08 64.89 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.009 0.923 . . . . 70.13 111.578 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 78.1 mm-40 -74.68 -51.84 13.26 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.035 0.534 . . . . 74.03 110.563 176.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -29.75 70.58 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.552 -0.749 . . . . 73.14 109.926 178.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.495 ' HB3' HD13 ' A' ' 3' ' ' ILE . . . -70.34 -39.17 74.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.976 0.91 . . . . 71.1 110.138 176.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.76 -21.48 71.17 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 115.645 -0.707 . . . . 73.32 112.815 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.8 m -79.24 -20.28 48.57 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.614 0.765 . . . . 52.43 111.215 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.495 HD13 HG12 ' A' ' 3' ' ' ILE . 69.8 mt . . . . . 0 N--CA 1.486 1.363 0 C-N-CA 123.46 0.704 . . . . 75.3 111.27 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.916 -0.402 . . . . 63.5 109.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -111.94 149.41 31.96 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.354 0.661 . . . . 74.11 109.807 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.486 HG22 ' HB2' ' A' ' 124' ' ' ALA . 63.0 mt -115.97 125.45 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.727 0.811 . . . . 74.35 109.282 -179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.493 HD12 HD21 ' A' ' 45' ' ' LEU . 10.6 mp -124.38 138.25 54.39 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.223 0.609 . . . . 73.31 109.607 172.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.9 mt -122.38 111.96 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 107.437 -1.319 . . . . 74.03 107.437 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.43 HD23 ' SD ' ' A' ' 67' ' ' MET . 79.2 mt -86.51 134.69 33.65 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.541 0.736 . . . . 72.41 109.211 -177.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.7 mm -123.52 122.26 64.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 N-CA-C 108.229 -1.026 . . . . 65.12 108.229 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -132.09 103.96 6.55 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.308 -0.997 . . . . 74.15 108.308 171.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.405 ' HB ' ' HB1' ' A' ' 83' ' ' ALA . 4.7 t -128.43 143.78 51.04 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 123.363 0.665 . . . . 70.33 110.179 176.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -80.92 -15.67 55.65 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.276 -0.875 . . . . 73.3 111.129 -175.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -108.12 127.7 54.03 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.99 -0.745 . . . . 75.41 108.99 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.41 -23.08 61.04 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.555 1.142 . . . . 53.42 111.788 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -60.73 -43.72 97.55 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.173 0.989 . . . . 73.01 110.609 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 113' ' ' ALA . 36.3 tp -64.13 -40.67 96.67 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.844 -1.071 . . . . 73.42 111.485 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.488 HD12 ' HE2' ' A' ' 57' ' ' LYS . 82.2 mt -52.61 -49.73 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.766 0.827 . . . . 73.44 110.703 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -56.82 -41.33 77.63 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.574 1.171 . . . . 72.14 111.215 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 44.5 mtpt -71.41 -44.07 65.6 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.263 -0.88 . . . . 74.32 110.872 -177.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.2 mt -59.55 -40.1 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 123.79 0.836 . . . . 74.21 110.178 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -58.95 -48.86 80.02 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.17 -0.923 . . . . 74.41 110.341 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -63.49 -36.53 84.07 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.433 0.293 . . . . 74.21 111.74 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 8.4 mm-40 -56.69 -50.76 71.18 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.556 0.743 . . . . 74.13 110.755 174.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.584 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 11.6 m -81.48 -22.71 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 115.181 -0.918 . . . . 74.44 112.072 -174.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -72.34 -39.21 68.31 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.417 0.687 . . . . 64.22 110.413 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -67.05 -14.38 62.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.881 0.473 . . . . 72.13 111.208 172.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -113.56 8.65 17.77 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.756 0.822 . . . . 75.41 111.626 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 37.07 56.2 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 115.423 0.929 . . . . 65.23 115.423 168.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.584 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 6.0 m-85 -95.09 139.89 30.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.559 0.744 . . . . 74.05 109.848 174.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -88.38 112.55 23.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.936 0.894 . . . . 73.53 109.708 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.8 t -85.76 132.13 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 109.173 -0.677 . . . . 73.21 109.173 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.547 HH11 HG23 ' A' ' 32' ' ' VAL . 2.8 tmt_? -127.93 121.81 30.85 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.668 0.787 . . . . 73.52 109.407 175.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -80.8 137.36 36.22 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 125.013 1.325 . . . . 73.35 110.906 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.547 HG23 HH11 ' A' ' 30' ' ' ARG . 21.6 t -132.38 115.05 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.963 0.905 . . . . 73.3 109.541 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -110.47 -54.03 2.63 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.761 0.424 . . . . 65.34 110.649 176.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -88.86 157.99 18.26 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.232 0.613 . . . . 70.52 111.698 -171.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.6 m -64.1 -32.52 74.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.228 1.011 . . . . 74.53 109.967 167.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 20.1 t70 -64.73 -43.35 93.69 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.654 -1.157 . . . . 65.12 109.752 174.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -70.14 -26.68 64.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.497 0.319 . . . . 72.4 111.776 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' A' ' 67' ' ' MET . 56.3 tp -61.42 -55.36 32.22 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 123.579 0.549 . . . . 73.31 109.846 173.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 1.6 pptp? -65.68 -31.95 73.24 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 122.415 -0.178 . . . . 74.53 111.368 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -50.57 -48.71 57.44 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.028 0.931 . . . . 74.42 111.007 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 6.8 pt-20 -78.21 -36.61 46.98 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.629 -0.714 . . . . 74.04 109.979 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.526 ' SD ' HD11 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -54.9 -43.13 72.96 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.529 0.731 . . . . 75.03 112.518 -175.224 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 4.8 mptp? -61.41 -43.55 98.68 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.665 0.603 . . . . 72.44 110.036 174.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -68.21 -32.51 72.77 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.76 0.824 . . . . 75.12 111.981 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.2 mt -75.05 -36.77 61.81 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.526 0.73 . . . . 74.1 110.123 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.71 -48.74 63.08 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.002 -0.999 . . . . 73.0 111.321 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -78.12 -65.72 0.94 Allowed 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.622 0.577 . . . . 73.34 110.351 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -77.71 87.58 3.98 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.21 -1.033 . . . . 74.13 108.21 175.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -91.67 13.37 18.24 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.664 -1.153 . . . . 75.53 109.742 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -51.71 135.89 28.3 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.177 1.391 . . . . 74.14 110.504 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -60.98 102.82 0.22 Allowed 'General case' 0 C--O 1.238 0.474 0 O-C-N 124.423 1.077 . . . . 74.32 109.52 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -141.29 132.94 27.14 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.346 -0.843 . . . . 71.43 109.408 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -91.77 84.55 5.43 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 124.591 1.182 . . . . 73.15 108.93 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.2 mt -95.91 129.4 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 122.403 0.281 . . . . 73.32 110.719 -176.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.472 HD22 HG22 ' A' ' 22' ' ' VAL . 16.0 tp -97.68 114.9 26.97 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.505 -1.294 . . . . 74.41 107.505 167.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.553 HG21 ' HE1' ' A' ' 67' ' ' MET . 44.9 mm -90.9 114.96 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 109.252 -0.648 . . . . 74.31 109.252 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.488 ' HE2' HD12 ' A' ' 15' ' ' ILE . 14.3 tmtt? -94.11 123.85 37.75 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.212 1.005 . . . . 73.34 108.632 174.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.567 ' HB3' HD13 ' A' ' 64' ' ' LEU . 35.7 t -151.63 173.81 14.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.318 0.647 . . . . 75.22 109.9 175.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -136.49 10.22 3.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.095 0.958 . . . . 72.13 111.211 -174.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -127.5 109.18 11.47 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.906 -0.776 . . . . 62.34 108.906 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -52.62 -35.95 55.51 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.696 1.199 . . . . 74.34 112.701 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -71.7 -39.78 69.94 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 118.961 -0.542 . . . . 74.4 110.069 -170.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.2 mt -53.84 -41.25 67.22 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 123.803 0.689 . . . . 73.45 110.924 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 58' ' ' SER . 9.2 mp -69.17 -43.92 73.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.534 -0.757 . . . . 75.12 111.258 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -66.22 -44.7 83.07 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.64 0.376 . . . . 75.22 109.997 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.61 -31.25 72.18 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.0 1.32 . . . . 70.31 111.434 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.553 ' HE1' HG21 ' A' ' 56' ' ' ILE . 47.9 ttm -63.44 -46.72 84.98 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 108.737 -0.838 . . . . 71.43 108.737 174.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.478 HD13 HG23 ' A' ' 97' ' ' ILE . 77.9 mt -71.99 -20.42 61.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.337 1.055 . . . . 75.42 112.261 -176.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -65.96 -35.74 81.42 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 109.656 -0.498 . . . . 71.32 109.656 170.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.526 HD11 ' SD ' ' A' ' 42' ' ' MET . 34.1 mt -86.17 -30.8 22.18 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.886 -0.597 . . . . 73.23 111.567 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.477 HD13 HD22 ' A' ' 68' ' ' LEU . 64.5 mt -71.44 -29.24 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 123.074 0.549 . . . . 74.41 110.548 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.1 p -62.15 -31.04 71.48 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.977 0.511 . . . . 64.12 111.19 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -65.4 -42.51 92.52 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.675 0.79 . . . . 75.45 110.311 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.0 mt -73.17 -38.41 66.19 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.495 -1.229 . . . . 60.3 110.792 -177.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.89 48.0 51.34 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-N 115.42 -0.809 . . . . 62.51 114.079 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -111.04 168.45 9.49 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 117.477 0.639 . . . . 71.32 109.834 165.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -94.79 128.04 41.23 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.689 0.796 . . . . 74.5 110.619 -170.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 49.5 t -123.67 147.72 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.78 1.232 . . . . 73.33 109.806 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -121.12 123.67 42.88 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.08 1.352 . . . . 73.32 108.352 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.407 HD13 HD23 ' A' ' 64' ' ' LEU . 27.2 tp -115.87 131.71 56.86 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.758 0.708 . . . . 74.33 111.078 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.467 HD23 ' HB1' ' A' ' 113' ' ' ALA . 33.4 tp -114.99 126.28 54.58 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.972 0.909 . . . . 74.24 109.458 173.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.425 ' HB3' HD12 ' A' ' 90' ' ' LEU . 91.5 mt -113.32 123.15 49.45 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.702 1.201 . . . . 75.22 108.732 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.405 ' HB1' ' HB ' ' A' ' 9' ' ' THR . . . -139.75 111.57 7.36 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.802 0.441 . . . . 70.23 110.906 -177.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.439 ' HB3' HD11 ' A' ' 90' ' ' LEU . 16.8 t0 -165.24 156.89 14.86 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.289 0.636 . . . . 72.41 109.44 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.43 -37.59 86.43 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.226 1.01 . . . . 73.4 110.168 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -88.59 60.35 5.57 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 123.002 1.382 . . . . 74.23 108.66 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.524 ' HB2' ' HD2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -71.58 -15.1 62.26 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 114.269 -1.332 . . . . 75.1 112.06 179.739 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.44 -43.49 93.1 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.644 0.777 . . . . 74.04 110.98 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.39 -29.19 62.45 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.171 0.588 . . . . 73.11 111.114 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' ' 84' ' ' ASP . 92.8 mt -70.86 -25.25 62.73 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.34 0.656 . . . . 75.22 110.842 173.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 18.5 tp10 -71.94 -25.87 62.06 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 123.573 0.749 . . . . 75.43 109.941 176.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -82.06 -47.68 12.31 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.296 0.638 . . . . 75.34 110.465 171.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.417 ' O ' HG12 ' A' ' 97' ' ' ILE . 70.8 t80 -57.54 -42.6 83.24 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.362 1.065 . . . . 65.1 111.401 -173.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 91' ' ' GLU . 19.2 ptpt -57.33 -33.3 67.58 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.754 0.822 . . . . 65.32 111.958 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -74.6 -22.68 58.82 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.492 0.717 . . . . 75.43 111.014 -172.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -36.12 49.28 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.888 0.875 . . . . 72.42 109.229 174.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.478 HG23 HD13 ' A' ' 68' ' ' LEU . 40.4 mm -74.55 -37.01 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.047 0.939 . . . . 74.12 110.663 -176.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -70.13 -31.87 69.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 114.645 -1.161 . . . . 61.31 108.755 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -68.55 -36.94 79.47 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.678 0.791 . . . . 70.53 110.293 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -67.61 -24.93 65.53 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.373 0.669 . . . . 72.24 110.543 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.31 35.65 3.07 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.248 -0.433 . . . . 61.41 113.132 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -120.91 148.11 44.51 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.993 0.517 . . . . 74.31 110.508 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -74.09 123.46 24.45 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 108.441 -0.948 . . . . 74.23 108.441 175.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.3 p -138.08 143.77 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 O-C-N 123.917 0.76 . . . . 75.04 109.815 -175.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -138.3 158.11 44.94 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.232 1.013 . . . . 75.32 109.768 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.524 ' HD2' ' HB2' ' A' ' 87' ' ' GLU . 34.0 ttpt -125.5 141.68 51.91 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.055 -1.429 . . . . 75.2 108.707 177.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.4 m -144.39 169.86 8.72 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 C-N-CA 124.851 1.26 . . . . 74.42 109.486 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.8 p -129.13 -36.06 1.77 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.329 1.052 . . . . 75.23 109.985 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -95.58 155.83 16.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.18 0.592 . . . . 75.14 110.854 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.459 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 17.9 p-10 -72.99 -50.15 24.88 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.85 -1.068 . . . . 75.41 111.595 -175.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -67.46 -31.46 71.63 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.067 0.461 . . . . 73.41 110.41 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.484 ' O ' HG12 ' A' ' 116' ' ' ILE . 43.6 tt0 -62.99 -45.73 91.02 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.308 1.043 . . . . 72.32 109.915 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.467 ' HB1' HD23 ' A' ' 81' ' ' LEU . . . -61.14 -45.98 92.43 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.556 -0.747 . . . . 73.34 111.438 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 110' ' ' ASP . 80.2 mt -58.14 -38.22 76.14 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.017 0.927 . . . . 72.23 110.896 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -66.68 -39.26 88.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.199 1.4 . . . . 74.45 110.554 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' ' 112' ' ' GLU . 42.5 mm -75.29 -33.33 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 123.359 0.664 . . . . 71.23 110.991 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.463 HG21 ' O ' ' A' ' 113' ' ' ALA . 87.7 t -56.95 -48.33 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 109.249 -0.649 . . . . 70.31 109.249 172.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 60.7 mtt180 -59.04 -38.38 79.19 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.161 0.913 . . . . 74.24 110.938 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -59.84 -55.52 33.17 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.739 0.65 . . . . 72.41 110.665 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.402 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.9 m-85 -51.9 -40.18 60.26 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.156 0.982 . . . . 72.41 112.224 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 78.4 mtp -67.94 -23.94 65.13 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.441 1.096 . . . . 75.34 112.501 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 118' ' ' ARG . 66.1 mt-30 -71.89 -46.08 59.01 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.53 0.732 . . . . 70.14 110.361 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -29.17 62.46 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.416 -0.811 . . . . 73.13 109.779 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.486 ' HB2' HG22 ' A' ' 3' ' ' ILE . . . -65.18 -46.13 82.02 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.986 0.803 . . . . 75.33 110.16 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.77 -38.6 96.41 Favored Glycine 0 C--N 1.347 1.18 0 CA-C-N 115.517 -0.765 . . . . 74.11 112.941 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 79.7 p -70.49 -17.34 62.96 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.598 0.592 . . . . 70.42 112.598 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 113.723 1.008 . . . . 75.41 113.723 -178.055 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.012 -0.366 . . . . 74.32 110.012 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.5 161.07 37.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.675 1.19 . . . . 62.34 108.117 169.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.534 HD13 ' HB1' ' A' ' 124' ' ' ALA . 66.9 mt -119.02 103.67 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.083 -1.08 . . . . 73.01 108.083 174.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' HB2' HG21 ' A' ' 78' ' ' VAL . 10.9 mp -103.54 141.98 35.08 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.3 -0.629 . . . . 72.22 109.3 175.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.9 mt -119.81 113.69 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 107.149 -1.426 . . . . 74.23 107.149 169.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.592 ' HB3' HD23 ' A' ' 64' ' ' LEU . 93.2 mt -88.88 125.93 35.15 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.625 -0.88 . . . . 74.02 108.625 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -115.11 116.08 51.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 108.575 -0.898 . . . . 74.12 108.575 176.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.451 ' HB2' HD21 ' A' ' 64' ' ' LEU . 48.7 t-20 -124.41 102.14 7.51 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 106.954 -1.498 . . . . 72.03 106.954 171.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.5 ' HB ' ' HB2' ' A' ' 83' ' ' ALA . 7.7 t -130.41 144.24 51.27 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.525 -0.762 . . . . 74.4 109.291 173.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -78.16 -21.1 50.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.531 -0.759 . . . . 52.34 110.596 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -102.98 109.9 21.62 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.463 0.649 . . . . 74.32 109.918 171.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.75 -22.13 66.57 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.548 1.139 . . . . 74.42 111.505 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.24 -40.09 64.32 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.779 1.231 . . . . 75.33 111.963 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.37 -36.72 85.05 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 114.833 -1.076 . . . . 75.15 111.329 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.451 HD11 ' HG2' ' A' ' 57' ' ' LYS . 54.7 mt -66.79 -29.22 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.378 0.671 . . . . 65.03 111.179 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -58.96 -31.56 68.83 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.501 0.667 . . . . 75.13 110.349 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 93.5 mttt -81.37 -52.1 7.64 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.316 -1.311 . . . . 74.35 110.144 175.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.29 -38.07 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 C-N-CA 124.182 0.993 . . . . 73.4 112.819 -173.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.493 ' HE3' HG12 ' A' ' 29' ' ' VAL . 57.4 mtpt -61.6 -47.64 84.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.211 0.604 . . . . 74.41 109.59 176.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -64.45 -34.09 77.4 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.722 0.639 . . . . 72.55 111.637 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 14.0 mm-40 -61.0 -51.56 68.7 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 123.767 0.667 . . . . 54.4 110.351 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 55' ' ' LEU . 23.3 m -74.88 -22.62 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 115.981 -0.554 . . . . 73.24 111.978 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.4 -30.18 71.03 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.106 0.562 . . . . 71.55 111.424 174.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -63.74 -33.87 76.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.646 0.379 . . . . 64.13 111.202 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -89.57 -2.13 58.24 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.55 0.74 . . . . 75.3 111.709 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.71 38.2 43.48 Favored Glycine 0 C--N 1.344 1.007 0 O-C-N 123.022 0.202 . . . . 72.43 113.1 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -78.98 140.76 37.94 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.117 0.484 . . . . 73.24 110.285 171.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -78.92 112.48 16.13 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.773 -1.195 . . . . 62.55 107.773 168.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.493 HG12 ' HE3' ' A' ' 19' ' ' LYS . 38.4 t -93.43 118.12 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.532 -0.544 . . . . 72.04 109.532 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -114.02 128.35 56.35 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.193 1.397 . . . . 75.23 109.403 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -104.94 112.69 25.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.971 0.908 . . . . 71.02 108.746 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -87.06 114.39 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.484 0.714 . . . . 73.04 109.565 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.44 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 31.1 m-80 -94.42 -17.43 22.5 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.65 0.78 . . . . 64.42 112.511 -174.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -164.46 174.45 10.95 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 117.822 0.283 . . . . 72.44 111.404 -170.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.0 p -68.73 -34.15 75.13 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.906 0.882 . . . . 73.51 111.017 173.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -45.13 95.32 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 122.952 0.501 . . . . 73.42 110.077 172.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 8.5 mm-40 -54.46 -46.91 73.44 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 123.934 0.771 . . . . 75.1 110.867 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.01 -58.23 8.79 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.89 1.369 . . . . 74.45 111.689 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -36.88 84.61 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 119.463 -0.303 . . . . 73.14 110.731 -175.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -55.3 -50.5 69.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.537 0.735 . . . . 74.03 111.453 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 9.2 pt-20 -73.57 -27.71 61.46 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.492 0.495 . . . . 74.44 110.744 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.457 ' HE2' HD11 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -62.01 -40.01 94.23 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.814 0.446 . . . . 75.11 111.447 177.004 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -60.2 -37.46 80.35 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.749 0.419 . . . . 75.12 110.312 173.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.506 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 11.2 mmpt? -71.57 -36.78 71.01 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.379 0.672 . . . . 72.42 110.91 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 71.3 mt -75.23 -22.51 57.86 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.89 0.476 . . . . 75.44 110.932 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.74 -50.02 7.06 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.577 0.751 . . . . 65.3 112.54 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -82.33 -52.54 6.82 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.555 0.742 . . . . 73.43 111.247 -172.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -74.05 97.51 2.89 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.791 -1.189 . . . . 74.23 107.791 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.496 ' HZ3' ' HB3' ' A' ' 49' ' ' LYS . 9.1 mtpm? -85.78 25.32 1.11 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.194 0.997 . . . . 75.53 112.277 -171.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -68.24 139.07 56.0 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.297 0.639 . . . . 72.53 110.444 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -73.55 106.17 5.21 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 108.254 -1.017 . . . . 74.04 108.254 169.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -129.2 139.65 51.79 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.079 0.466 . . . . 71.34 110.195 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -93.47 113.45 25.6 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.988 -1.486 . . . . 74.4 106.988 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.1 mt -124.49 130.52 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.139 0.576 . . . . 72.13 110.916 -173.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 22' ' ' VAL . 21.2 tp -90.63 140.71 29.5 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.328 -0.99 . . . . 74.15 108.328 166.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.469 HG22 ' HE2' ' A' ' 67' ' ' MET . 46.3 mm -117.19 121.78 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.357 0.663 . . . . 73.55 109.519 175.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 15' ' ' ILE . 6.9 tmtm? -98.98 116.07 30.37 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.404 1.082 . . . . 71.12 108.125 173.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -157.33 168.94 25.9 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.271 0.628 . . . . 61.24 109.522 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -134.24 -29.17 1.26 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.831 0.853 . . . . 64.42 109.976 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.51 98.41 1.45 Allowed 'General case' 0 C--N 1.348 0.512 0 C-N-CA 122.601 0.36 . . . . 74.14 110.198 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -48.53 -30.12 4.91 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.168 1.387 . . . . 74.24 113.311 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -59.33 -49.07 79.24 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.5 0.72 . . . . 75.22 109.363 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.8 mt -61.06 -41.8 97.29 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.714 0.806 . . . . 74.44 112.07 -175.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.592 HD23 ' HB3' ' A' ' 6' ' ' LEU . 6.3 mp -68.83 -39.57 79.9 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.516 0.51 . . . . 75.33 110.994 -176.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 61.0 tttm -71.14 -45.73 62.98 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 109.639 -0.504 . . . . 73.51 109.639 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -61.12 -29.63 69.88 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.968 0.907 . . . . 74.14 111.552 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.469 ' HE2' HG22 ' A' ' 56' ' ' ILE . 49.7 ttm -65.0 -48.75 72.83 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.937 -0.764 . . . . 75.41 108.937 173.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.423 HD12 HG22 ' A' ' 97' ' ' ILE . 88.6 mt -69.53 -23.66 63.62 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.109 0.964 . . . . 55.42 112.818 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 16.0 mm-40 -64.05 -41.01 97.53 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.226 -0.657 . . . . 74.42 109.226 173.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.7 mt -82.84 -32.68 27.38 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.148 -0.933 . . . . 71.52 110.856 -177.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.563 HD13 HG22 ' A' ' 78' ' ' VAL . 73.6 mt -68.6 -32.89 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.631 0.773 . . . . 75.33 110.563 177.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -62.91 -24.29 67.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.907 0.483 . . . . 74.14 111.084 176.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -80.64 -39.89 26.54 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.242 0.617 . . . . 74.3 109.771 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.5 -30.76 66.33 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.8 0.84 . . . . 71.44 112.222 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.53 74.0 0.85 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.859 -0.609 . . . . 62.2 113.427 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -154.2 157.01 38.16 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.016 0.526 . . . . 65.3 110.776 167.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.554 ' HB3' HD12 ' A' ' 127' ' ' LEU . 3.1 tmtm? -84.79 130.48 34.67 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 115.435 -0.802 . . . . 74.3 109.365 -172.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.563 HG22 HD13 ' A' ' 71' ' ' ILE . 94.7 t -127.45 142.57 43.24 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 C-N-CA 124.191 0.996 . . . . 74.15 109.482 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -97.83 160.66 14.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.614 1.165 . . . . 71.42 109.255 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.8 tp -147.0 141.74 26.75 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.482 0.713 . . . . 72.04 109.395 177.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.467 HD13 HG23 ' A' ' 116' ' ' ILE . 50.8 tp -132.0 120.02 21.86 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.144 0.978 . . . . 73.11 108.972 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.483 ' HB3' HD21 ' A' ' 90' ' ' LEU . 89.3 mt -110.97 104.75 13.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.499 1.12 . . . . 74.51 108.724 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.5 ' HB2' ' HB ' ' A' ' 9' ' ' THR . . . -115.3 111.82 21.47 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 123.148 0.579 . . . . 41.12 111.26 -175.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.464 ' HB3' HD11 ' A' ' 90' ' ' LEU . 38.2 t70 -168.69 158.02 8.89 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.086 -0.961 . . . . 75.45 109.347 176.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -59.09 -47.61 84.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.846 0.858 . . . . 71.55 109.772 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -82.22 103.55 11.9 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.475 -0.565 . . . . 71.41 109.475 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -87.53 -13.6 42.54 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.397 0.679 . . . . 60.23 111.92 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -57.92 -49.53 76.45 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.636 0.774 . . . . 71.23 110.733 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -45.46 81.8 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 115.039 -0.982 . . . . 75.11 109.858 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 82' ' ' LEU . 88.5 mt -65.79 -28.89 69.35 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.059 -0.973 . . . . 75.35 112.013 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 29.4 tt0 -64.33 -53.99 40.04 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 123.211 0.604 . . . . 72.53 110.426 -176.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.24 -45.51 68.77 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.468 1.105 . . . . 63.01 110.031 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.404 ' HD2' HD11 ' A' ' 82' ' ' LEU . 55.8 t80 -61.03 -55.17 35.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.13 0.972 . . . . 73.1 110.83 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.452 ' HE2' HG12 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -68.51 -23.23 64.52 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.829 0.677 . . . . 74.11 112.829 -171.201 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 79.7 mtp180 -64.71 -42.01 95.58 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.568 0.347 . . . . 75.51 110.683 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.0 -44.45 69.35 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.357 -0.838 . . . . 73.02 109.905 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.423 HG22 HD12 ' A' ' 68' ' ' LEU . 41.6 mm -61.63 -44.66 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.963 0.905 . . . . 75.43 111.124 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.69 -33.43 74.9 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.38 -0.827 . . . . 65.42 110.953 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -73.3 -24.56 60.42 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.819 -0.628 . . . . 73.44 110.609 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -77.02 -4.28 43.36 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.499 0.72 . . . . 73.1 111.662 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.55 19.05 53.63 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-O 120.407 -0.107 . . . . 70.34 112.891 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -105.69 136.22 45.69 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.506 0.722 . . . . 74.44 109.255 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -78.44 129.19 34.63 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 109.323 -0.621 . . . . 75.45 109.323 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.452 HG12 ' HE2' ' A' ' 94' ' ' LYS . 2.8 p -140.66 126.71 20.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 121.2 0.524 . . . . 72.42 111.017 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -107.44 142.06 37.88 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.728 0.811 . . . . 75.21 109.815 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.83 126.16 52.32 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 106.91 -1.515 . . . . 73.02 106.91 169.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.3 m -131.25 166.61 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.648 0.779 . . . . 73.11 109.88 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.2 p -123.06 -38.4 2.6 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.645 0.778 . . . . 72.13 110.427 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.73 157.46 20.28 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.17 0.509 . . . . 71.23 111.566 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.99 -56.29 8.26 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.636 -1.166 . . . . 73.24 109.74 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.87 -34.29 77.06 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.492 -0.776 . . . . 73.24 110.938 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.543 ' O ' HG12 ' A' ' 116' ' ' ILE . 64.2 tt0 -64.93 -40.25 94.75 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 123.563 0.745 . . . . 70.12 110.019 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.42 96.23 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.592 0.357 . . . . 74.02 111.399 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.28 -43.46 98.78 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.642 0.777 . . . . 73.13 112.022 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -69.09 -31.32 69.95 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 123.435 0.459 . . . . 71.14 110.654 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.8 mm -67.16 -40.64 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.485 0.714 . . . . 75.24 110.727 177.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 84.9 t -62.4 -40.36 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.242 0.617 . . . . 74.15 109.795 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 91.8 mtt180 -68.15 -22.86 64.83 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.445 -0.798 . . . . 75.35 111.58 176.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.43 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 56.8 mt-10 -75.52 -53.18 9.06 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 110.097 -0.334 . . . . 74.23 110.097 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -49.73 -42.38 45.99 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.565 1.146 . . . . 75.22 112.718 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 19.8 ptp -69.55 -22.04 63.58 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.452 0.701 . . . . 73.11 112.69 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 9.1 mm100 -80.47 -45.54 17.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.787 0.435 . . . . 74.13 110.545 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 3.4 mptp? -63.64 -31.6 72.82 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 109.836 -0.431 . . . . 71.14 109.836 176.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.534 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -51.78 -45.86 63.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.948 1.299 . . . . 75.23 112.465 177.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.45 -38.02 95.23 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 116.06 -0.518 . . . . 61.03 112.543 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.7 m -67.54 -34.37 76.94 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.396 0.678 . . . . 73.32 110.508 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 77' ' ' LYS . 92.4 mt . . . . . 0 N--CA 1.481 1.085 0 C-N-CA 123.791 0.836 . . . . 74.05 111.338 176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.463 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 13.7 tpt . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.86 -0.422 . . . . 73.33 109.86 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -91.05 137.49 32.33 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 109.111 -0.699 . . . . 70.22 109.111 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.514 HD13 ' HG2' ' A' ' 53' ' ' LYS . 55.6 mt -105.97 118.0 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.382 -0.599 . . . . 73.02 109.382 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.677 HD21 HD11 ' A' ' 45' ' ' LEU . 8.7 mp -115.37 133.31 56.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.595 0.758 . . . . 74.24 110.424 174.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.1 mt -113.08 107.46 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 N-CA-C 107.359 -1.349 . . . . 64.42 107.359 160.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.515 HD23 ' HB ' ' A' ' 56' ' ' ILE . 89.6 mt -86.06 111.44 20.32 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.42 -0.956 . . . . 73.11 108.42 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.486 HG13 HG23 ' A' ' 18' ' ' ILE . 38.9 mm -108.81 118.92 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 108.894 -0.78 . . . . 71.12 108.894 174.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -126.53 106.91 9.77 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.113 0.965 . . . . 75.32 108.673 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.488 HG22 ' HB3' ' A' ' 14' ' ' LEU . 11.9 t -129.37 147.11 51.16 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 123.091 0.557 . . . . 75.45 110.137 171.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -75.23 -38.73 60.48 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 109.239 -0.652 . . . . 73.13 109.239 171.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -82.59 84.25 7.32 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.618 0.723 . . . . 63.51 110.039 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -50.03 -29.2 8.25 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 126.552 1.941 . . . . 72.4 114.297 -173.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.637 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 23.3 mm-40 -55.79 -31.21 62.44 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.867 0.867 . . . . 63.31 111.997 -178.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.488 ' HB3' HG22 ' A' ' 9' ' ' THR . 56.1 tp -60.4 -48.36 82.08 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.334 1.054 . . . . 71.01 111.654 177.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.542 HG23 ' HG2' ' A' ' 57' ' ' LYS . 17.5 mt -69.68 -33.33 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 O-C-N 122.954 0.159 . . . . 74.24 110.759 -175.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.637 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 57.0 mtpt -55.12 -28.38 52.24 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.281 0.632 . . . . 74.12 111.107 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -83.44 -46.58 12.34 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.492 1.117 . . . . 73.31 110.494 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.486 HG23 HG13 ' A' ' 7' ' ' ILE . 75.6 mt -57.7 -31.84 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 124.721 1.209 . . . . 73.34 111.684 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HE3' HG12 ' A' ' 29' ' ' VAL . 53.4 mtpt -63.51 -43.69 96.45 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.535 0.734 . . . . 74.24 110.212 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -66.57 -38.18 86.53 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.112 -0.494 . . . . 74.53 110.065 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -57.86 -51.71 68.48 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.652 0.781 . . . . 75.34 110.92 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.558 HG12 HD11 ' A' ' 55' ' ' LEU . 19.8 m -72.91 -27.25 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 115.25 -0.886 . . . . 73.43 111.777 -173.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.94 -34.02 74.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.09 0.556 . . . . 72.24 111.555 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -62.93 -34.09 76.73 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.782 0.433 . . . . 74.51 110.821 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -93.87 -0.45 55.73 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.425 0.69 . . . . 74.12 111.614 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.23 37.82 11.96 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-N 116.257 -0.429 . . . . 72.45 114.05 171.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.428 ' CE1' ' HE2' ' A' ' 53' ' ' LYS . 44.6 m-85 -88.33 137.36 32.4 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.68 0.392 . . . . 75.2 110.622 173.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -80.84 114.76 19.95 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 108.259 -1.015 . . . . 75.2 108.259 167.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.481 HG12 ' HE3' ' A' ' 19' ' ' LYS . 48.6 t -82.27 127.34 39.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 109.286 -0.635 . . . . 72.31 109.286 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -132.63 118.7 19.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.873 1.269 . . . . 74.34 107.723 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.408 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 7.3 p-10 -110.23 114.67 28.34 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.613 0.765 . . . . 75.43 112.338 -169.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -73.14 110.16 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 C-N-CA 124.048 0.939 . . . . 73.33 109.588 174.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -100.6 -26.67 13.75 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.952 0.901 . . . . 74.53 110.202 173.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.4 172.88 12.33 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.001 0.921 . . . . 74.02 110.702 -171.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.6 m -69.15 -30.21 68.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.172 -0.922 . . . . 74.33 110.168 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -66.84 -44.74 80.26 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.421 0.688 . . . . 75.34 110.307 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -54.34 -49.31 70.06 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 124.119 0.887 . . . . 73.02 110.077 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' O ' ' HG3' ' A' ' 42' ' ' MET . 45.0 tp -54.74 -58.49 7.33 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 125.186 1.554 . . . . 73.52 111.668 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -41.76 89.88 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 119.065 -0.493 . . . . 75.52 111.214 -174.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -57.34 -46.23 83.51 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.467 0.307 . . . . 71.13 111.284 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.522 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.7 pt-20 -74.14 -26.87 60.56 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.369 -0.378 . . . . 71.23 110.832 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.535 ' HE1' ' HB2' ' A' ' 70' ' ' LEU . 29.0 mtp -70.81 -21.27 62.49 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.121 0.415 . . . . 73.11 112.121 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -47.64 85.06 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.577 -0.897 . . . . 75.32 108.577 164.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -72.6 -14.98 61.74 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.412 1.085 . . . . 75.31 113.331 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.677 HD11 HD21 ' A' ' 4' ' ' LEU . 53.7 mt -87.44 -41.89 13.21 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.763 0.316 . . . . 73.35 110.741 173.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.32 -54.75 3.56 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.429 1.27 . . . . 73.51 114.429 -166.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -85.04 11.74 9.01 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 115.009 1.485 . . . . 71.21 115.009 -158.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.57 -34.65 1.03 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.071 -0.714 . . . . 74.22 109.071 161.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt 61.14 20.01 10.55 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.957 1.303 . . . . 74.22 112.041 172.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -66.05 163.04 18.19 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.409 0.684 . . . . 73.44 111.526 -175.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 1' ' ' MET . 82.9 t80 -74.04 94.24 2.36 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.731 -0.668 . . . . 71.01 109.856 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -142.18 145.61 34.35 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 123.529 0.732 . . . . 74.11 109.355 170.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.514 ' HG2' HD13 ' A' ' 3' ' ' ILE . 51.5 mtpt -95.79 114.41 26.15 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.585 1.154 . . . . 73.52 108.205 -175.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.8 mt -123.75 125.95 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.297 0.639 . . . . 74.22 110.106 -177.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.558 HD11 HG12 ' A' ' 22' ' ' VAL . 32.1 tp -85.94 118.2 25.27 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 107.586 -1.264 . . . . 74.14 107.586 165.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.515 ' HB ' HD23 ' A' ' 6' ' ' LEU . 36.2 mm -93.82 132.42 37.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 108.378 -0.971 . . . . 71.41 108.378 170.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.542 ' HG2' HG23 ' A' ' 15' ' ' ILE . 13.6 tmtt? -115.31 131.71 56.84 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.77 1.228 . . . . 73.11 107.992 -177.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.1 t -156.77 152.03 26.44 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.161 0.505 . . . . 73.32 110.33 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -105.79 -3.95 21.4 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.727 0.811 . . . . 54.44 110.165 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -121.5 131.52 54.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.303 0.641 . . . . 63.02 111.069 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -80.31 -20.05 45.18 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.328 1.451 . . . . 74.32 114.291 -175.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.92 -44.17 73.65 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 118.157 0.435 . . . . 74.44 110.09 -177.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 mt -54.76 -33.75 61.69 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.772 1.295 . . . . 74.03 111.851 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mp -74.73 -39.82 61.66 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.704 0.802 . . . . 73.02 111.346 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 54.6 mtmt -62.43 -45.7 91.92 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 110.225 -0.287 . . . . 71.44 110.225 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.29 -41.58 89.29 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.63 1.206 . . . . 62.3 110.808 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.511 ' HE1' HG23 ' A' ' 56' ' ' ILE . 37.8 ttm -62.84 -48.74 77.76 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.07 -0.968 . . . . 74.31 110.506 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.1 mt -65.13 -30.41 71.34 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.433 1.093 . . . . 75.22 112.934 -173.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 54.1 mt-10 -64.09 -37.4 87.3 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.844 0.458 . . . . 74.13 110.532 177.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.535 ' HB2' ' HE1' ' A' ' 42' ' ' MET . 80.9 mt -81.53 -35.53 30.23 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.293 0.637 . . . . 73.54 110.654 178.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.55 -35.41 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 123.993 0.917 . . . . 74.0 110.555 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 t -56.38 -35.17 67.41 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.666 0.786 . . . . 74.22 111.353 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -76.62 -37.2 56.76 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 123.901 0.75 . . . . 74.45 109.761 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 36.0 mt -70.67 -41.21 72.38 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.362 1.065 . . . . 74.32 110.857 -176.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.51 83.85 0.19 Allowed Glycine 0 C--N 1.348 1.203 0 O-C-N 124.414 1.071 . . . . 72.32 113.164 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -154.4 169.05 24.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.268 0.627 . . . . 75.51 111.001 173.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -73.8 128.69 36.19 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.858 0.863 . . . . 74.22 111.286 -174.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.2 t -119.27 135.03 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.055 0.942 . . . . 72.12 109.823 177.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.73 106.93 14.44 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 108.081 -1.081 . . . . 75.23 108.081 174.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.492 HD21 HG23 ' A' ' 97' ' ' ILE . 19.0 tp -111.23 136.09 50.82 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.213 0.46 . . . . 72.44 110.002 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 116' ' ' ILE . 42.6 tp -132.67 128.27 36.65 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.36 1.064 . . . . 74.23 109.322 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.3 mt -109.14 137.23 47.35 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.422 1.089 . . . . 75.43 108.203 176.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -148.26 118.55 7.32 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.515 0.326 . . . . 64.42 110.598 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.479 ' HB3' HD11 ' A' ' 90' ' ' LEU . 27.0 t70 -175.37 161.53 2.76 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.453 1.101 . . . . 65.33 108.857 173.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -62.59 -37.96 88.26 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.449 1.1 . . . . 74.42 111.864 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.76 77.98 5.22 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.72 0.771 . . . . 74.43 109.79 173.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.71 -15.77 58.05 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 114.645 -1.161 . . . . 74.12 111.436 -177.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -58.14 -57.82 11.15 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.851 0.861 . . . . 74.11 110.981 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -72.01 -28.53 63.45 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.578 -0.737 . . . . 74.14 111.327 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' A' ' 84' ' ' ASP . 83.2 mt -71.45 -31.89 67.7 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.742 0.651 . . . . 75.31 110.42 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.31 -45.98 85.53 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.931 -0.766 . . . . 73.21 108.931 175.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.17 -47.73 83.2 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.083 -0.962 . . . . 72.01 110.222 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -54.69 -51.43 65.56 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.695 1.198 . . . . 74.11 110.661 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -71.29 -22.59 61.93 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 115.716 -0.675 . . . . 73.42 111.566 -176.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -63.23 -43.97 96.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.331 0.252 . . . . 65.31 110.585 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -55.83 21.25 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.667 0.604 . . . . 73.25 109.889 176.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.523 HG22 ' HB2' ' A' ' 102' ' ' TYR . 38.2 mm -62.59 -37.71 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 124.002 0.814 . . . . 71.35 111.921 -170.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.01 -34.33 71.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.325 0.65 . . . . 74.2 110.499 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.8 t -74.17 -27.19 60.71 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.358 0.663 . . . . 64.11 110.395 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -76.56 -7.35 55.02 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.966 0.906 . . . . 72.43 111.405 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.81 21.25 19.21 Favored Glycine 0 C--N 1.347 1.194 0 CA-C-O 120.079 -0.289 . . . . 75.0 113.575 172.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.523 ' HB2' HG22 ' A' ' 97' ' ' ILE . 62.2 m-85 -106.24 146.8 29.86 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 109.507 -0.553 . . . . 73.42 109.507 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -77.19 116.02 17.46 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 108.456 -0.942 . . . . 71.44 108.456 173.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.467 HG23 ' HG ' ' A' ' 80' ' ' LEU . 3.6 p -138.35 127.63 32.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 CA-C-O 121.956 0.884 . . . . 75.41 110.136 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -112.53 150.98 30.54 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 114.243 -1.344 . . . . 75.33 107.895 177.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.434 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -133.32 115.01 14.39 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.313 -0.625 . . . . 72.23 109.313 -177.594 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 25.2 m -124.72 -179.76 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.666 1.186 . . . . 73.24 110.418 -176.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.8 p -127.83 -49.65 1.36 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.23 1.012 . . . . 74.41 110.065 175.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.84 154.53 38.22 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.553 0.741 . . . . 64.12 112.285 -174.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -65.65 -54.68 24.26 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 114.403 -1.272 . . . . 62.44 110.654 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.96 -36.43 83.45 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 123.929 0.768 . . . . 74.35 110.879 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.508 ' O ' HG12 ' A' ' 116' ' ' ILE . 13.9 tp10 -64.51 -41.16 96.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.891 0.876 . . . . 72.41 110.242 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.7 -43.74 75.39 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.267 0.627 . . . . 51.01 112.545 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.47 -35.89 76.96 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.449 0.7 . . . . 64.52 110.514 178.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -60.58 -47.72 84.95 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 123.937 0.895 . . . . 75.53 109.703 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 81' ' ' LEU . 45.1 mm -66.52 -31.99 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 123.93 0.769 . . . . 74.3 112.141 -175.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.15 -41.08 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.714 0.406 . . . . 75.33 110.03 172.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -73.16 -26.36 61.16 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.809 0.843 . . . . 75.21 111.085 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -63.62 -46.84 83.91 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.509 0.724 . . . . 74.34 109.069 171.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -59.16 -34.55 72.22 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.323 1.049 . . . . 72.42 111.881 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 24.6 mmt -61.29 -30.4 70.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.464 0.706 . . . . 71.31 112.196 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -66.53 -43.77 84.26 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.493 0.717 . . . . 73.44 110.58 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.438 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 11.1 mptt -78.9 -32.38 45.71 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.555 -0.748 . . . . 73.22 110.283 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.62 -37.25 70.93 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.593 0.757 . . . . 75.34 110.721 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.79 -39.96 95.42 Favored Glycine 0 C--N 1.346 1.094 0 CA-C-N 115.265 -0.88 . . . . 73.55 110.959 171.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.3 t -62.65 -24.55 67.67 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.102 0.961 . . . . 72.23 111.703 176.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 88.2 mt . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.335 -0.617 . . . . 75.13 109.335 174.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 107.843 -1.169 . . . . 71.51 107.843 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -155.16 119.26 4.63 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 109.758 -0.46 . . . . 64.31 109.758 -171.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.56 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 72.2 mt -99.35 117.06 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.604 0.762 . . . . 73.13 109.616 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.511 ' HB2' HG23 ' A' ' 78' ' ' VAL . 8.4 mp -112.0 146.82 37.2 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.032 0.933 . . . . 73.42 109.204 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.9 mt -123.62 106.43 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 107.206 -1.405 . . . . 74.54 107.206 166.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.53 132.58 34.17 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.187 0.995 . . . . 74.41 108.411 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mm -127.45 117.73 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.041 -0.726 . . . . 72.43 109.041 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.534 ' HB2' HD22 ' A' ' 64' ' ' LEU . 52.1 t-20 -118.7 102.1 8.59 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 107.655 -1.239 . . . . 72.54 107.655 170.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.461 ' HB ' ' HB2' ' A' ' 83' ' ' ALA . 3.7 t -131.53 136.39 47.83 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.051 -0.722 . . . . 75.55 109.051 169.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -74.29 -15.58 60.96 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.542 0.737 . . . . 75.24 110.751 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -85.16 107.07 17.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.255 1.022 . . . . 73.54 109.631 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.529 ' HA ' HD13 ' A' ' 15' ' ' ILE . 30.2 m-20 -64.18 -34.95 79.26 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.463 0.705 . . . . 73.3 111.661 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -63.21 -38.72 92.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.295 0.638 . . . . 75.24 110.812 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 tp -71.23 -33.55 69.97 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.164 0.586 . . . . 75.53 110.495 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.634 HD12 ' HE2' ' A' ' 57' ' ' LYS . 92.2 mt -59.19 -46.76 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 123.458 0.703 . . . . 72.44 110.399 174.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 75.2 mmtt -57.18 -38.54 73.79 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.493 0.717 . . . . 75.02 111.274 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -76.58 -42.2 43.49 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.225 -0.898 . . . . 52.44 111.628 -175.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.5 mt -68.73 -33.6 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.285 0.634 . . . . 71.14 110.073 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.579 ' HZ2' ' HB3' ' A' ' 19' ' ' LYS . 9.2 mtpm? -56.0 -63.85 1.05 Allowed 'General case' 0 C--N 1.358 0.965 0 CA-C-N 115.778 -0.646 . . . . 73.03 109.406 171.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.59 -23.95 66.96 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.975 0.51 . . . . 74.44 112.154 -176.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.41 -53.81 53.14 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.004 0.922 . . . . 75.12 109.904 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 m -83.47 -23.85 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 CA-C-N 115.06 -0.973 . . . . 74.03 112.292 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -72.42 -28.28 62.87 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.27 0.628 . . . . 71.42 110.747 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -16.6 63.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.952 0.501 . . . . 63.23 110.959 170.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -111.09 18.65 19.2 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.068 0.947 . . . . 74.31 110.344 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.64 15.69 77.33 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 115.892 1.117 . . . . 52.41 115.892 167.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -80.14 133.49 36.07 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 118.46 1.13 . . . . 71.52 110.409 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.2 132.63 34.26 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.832 -0.803 . . . . 71.52 108.832 174.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.424 HG13 ' HE2' ' A' ' 19' ' ' LYS . 58.9 t -85.56 128.2 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 109.771 -0.455 . . . . 75.43 109.771 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -131.18 109.0 10.11 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 106.804 -1.554 . . . . 72.35 106.804 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -115.83 118.91 34.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.82 0.848 . . . . 75.23 112.078 -164.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.7 t -72.32 111.07 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.501 1.121 . . . . 73.44 110.103 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.599 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -96.57 -19.27 19.19 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.984 0.513 . . . . 74.32 111.597 179.251 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -162.81 172.2 15.56 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.73 0.812 . . . . 74.24 109.487 -173.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -61.0 -39.94 91.61 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.095 0.958 . . . . 73.14 111.535 173.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.5 -46.03 90.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.265 1.026 . . . . 62.42 109.922 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.599 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 19.3 mm-40 -60.29 -44.18 95.62 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 115.24 -0.891 . . . . 71.41 110.568 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.4 tp -55.34 -58.64 6.88 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 124.382 1.052 . . . . 74.43 110.976 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -35.14 79.74 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 123.751 0.657 . . . . 73.51 111.218 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -59.43 -46.17 89.48 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.691 0.397 . . . . 74.41 111.775 175.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.5 pt-20 -84.66 -18.59 34.88 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.395 -0.366 . . . . 73.25 111.534 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 80.9 mmm -67.94 -32.41 72.84 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.191 0.596 . . . . 75.12 110.383 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -63.65 -37.42 87.27 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.94 -0.393 . . . . 75.1 109.94 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 31.3 mmmt -67.81 -29.84 69.12 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 120.726 0.298 . . . . 73.3 111.32 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 64.8 mt -82.75 -31.38 28.4 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.396 0.679 . . . . 71.35 111.449 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.12 -50.64 5.73 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.744 0.818 . . . . 75.23 112.675 -172.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.23 -64.12 0.95 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.129 0.571 . . . . 73.32 109.629 -174.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 1.9 pm0 -86.28 87.35 7.41 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.301 1.048 . . . . 74.34 108.517 171.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -91.43 37.19 0.94 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.722 1.209 . . . . 74.44 110.19 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -64.22 153.05 39.17 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.433 1.493 . . . . 74.31 111.383 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -70.27 93.39 0.84 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.436 -0.579 . . . . 72.02 109.436 177.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -148.79 145.83 27.74 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-N 114.772 -1.104 . . . . 74.32 108.968 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.56 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 33.8 mtmm -109.41 101.92 10.85 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.669 -0.696 . . . . 74.52 109.661 -176.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -106.59 132.34 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.09 0.956 . . . . 74.45 110.45 -175.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.73 117.26 21.26 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.266 -1.012 . . . . 75.45 108.266 166.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mm -92.6 147.08 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 108.575 -0.898 . . . . 74.21 108.575 170.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.634 ' HE2' HD12 ' A' ' 15' ' ' ILE . 14.1 tmtt? -135.85 134.12 38.51 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.259 -1.015 . . . . 75.05 108.259 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -158.05 173.94 15.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.285 0.634 . . . . 74.33 109.875 -177.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -132.65 -50.41 0.91 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.102 0.961 . . . . 74.32 110.612 -169.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -92.09 132.42 36.6 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.098 -0.501 . . . . 73.22 110.9 -172.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -54.1 -34.49 60.37 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.946 1.298 . . . . 73.34 113.512 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -67.12 -41.32 86.37 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 123.528 0.518 . . . . 74.13 109.757 -173.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.46 -38.29 83.73 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.678 0.791 . . . . 74.41 111.083 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.534 HD22 ' HB2' ' A' ' 8' ' ' ASN . 7.1 mp -72.6 -40.29 66.64 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.352 0.661 . . . . 74.05 111.211 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.526 ' HB3' ' HZ3' ' A' ' 65' ' ' LYS . 4.8 mmmp? -59.31 -58.28 9.31 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.514 0.509 . . . . 74.41 109.792 177.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -60.96 -36.29 79.01 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.636 1.174 . . . . 72.21 111.444 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.2 ttm -59.02 -58.6 7.93 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.607 0.763 . . . . 73.12 110.111 174.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.421 HD13 HD11 ' A' ' 97' ' ' ILE . 96.2 mt -72.87 -23.55 60.75 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.39 1.076 . . . . 75.43 113.24 -170.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -74.22 -29.83 61.9 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.857 0.463 . . . . 73.22 110.587 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.4 mt -80.52 -38.99 28.68 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.925 -0.579 . . . . 72.23 110.304 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.6 mt -66.95 -31.14 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.775 0.83 . . . . 64.23 110.408 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -61.24 -28.29 69.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.507 0.723 . . . . 65.53 111.041 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.563 ' HZ3' ' HB3' ' A' ' 73' ' ' LYS . 8.5 mtpm? -85.68 -38.6 18.15 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.828 0.851 . . . . 75.04 111.0 175.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.31 -35.67 80.98 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.491 0.717 . . . . 73.5 111.143 -177.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.3 74.36 0.99 Allowed Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.667 -0.697 . . . . 60.31 113.726 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -155.43 177.67 11.1 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.344 0.658 . . . . 73.52 110.416 168.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.489 ' HG3' HD12 ' A' ' 127' ' ' LEU . 75.2 mmtt -88.65 134.74 33.8 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.965 0.906 . . . . 74.34 111.552 -170.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.511 HG23 ' HB2' ' A' ' 4' ' ' LEU . 46.3 t -138.23 131.58 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.171 0.989 . . . . 75.41 108.837 170.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -114.61 108.85 17.37 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.479 -0.934 . . . . 73.31 108.479 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.9 tp -99.81 134.32 42.89 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.13 0.491 . . . . 71.01 111.342 -173.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.478 HD13 HG23 ' A' ' 116' ' ' ILE . 45.3 tp -120.96 136.82 54.88 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.325 1.05 . . . . 73.34 108.744 172.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.462 HD22 ' HB3' ' A' ' 8' ' ' ASN . 74.9 mt -121.6 130.54 53.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.186 0.995 . . . . 74.43 109.045 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' HB2' ' HB ' ' A' ' 9' ' ' THR . . . -147.79 110.12 4.61 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.867 0.467 . . . . 74.2 111.113 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.542 ' HB3' HD12 ' A' ' 90' ' ' LEU . 16.3 t70 -164.16 157.62 18.24 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.894 0.877 . . . . 63.24 109.147 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -54.2 -41.33 68.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.846 1.258 . . . . 64.44 111.802 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.62 76.42 7.49 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 108.558 -0.904 . . . . 74.43 108.558 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -39.44 90.85 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 114.581 -1.19 . . . . 71.43 112.775 -169.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -76.58 -22.76 53.81 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.924 0.49 . . . . 72.11 110.247 -171.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.13 -47.49 82.56 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.953 0.901 . . . . 64.43 109.79 170.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.542 HD12 ' HB3' ' A' ' 84' ' ' ASP . 87.5 mt -72.89 -31.39 64.65 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.491 -1.232 . . . . 72.41 111.104 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 43.6 tt0 -67.17 -41.52 85.83 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.489 0.716 . . . . 73.43 109.641 178.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.414 ' HG2' ' NH1' ' A' ' 95' ' ' ARG . 0.6 OUTLIER -68.48 -40.42 80.98 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.579 0.752 . . . . 74.33 109.629 177.694 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -61.0 -49.89 75.59 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.862 -1.063 . . . . 74.53 111.591 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HB3' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.64 -21.5 66.11 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.436 0.694 . . . . 75.24 111.731 -174.46 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 80.5 mtt180 -63.32 -46.84 84.8 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.126 0.571 . . . . 74.44 109.965 173.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.95 -29.67 63.27 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.267 1.027 . . . . 72.22 111.272 -177.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.43 HG23 ' HB2' ' A' ' 102' ' ' TYR . 44.5 mm -73.92 -37.74 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-O 121.136 0.493 . . . . 72.31 109.908 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.17 -31.55 66.04 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.185 0.994 . . . . 62.01 110.439 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 69.2 m -68.41 -34.38 75.91 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.316 0.646 . . . . 74.31 110.572 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -66.47 -27.86 68.13 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.706 0.402 . . . . 71.14 110.604 171.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.8 37.25 3.24 Favored Glycine 0 C--N 1.345 1.048 0 C-N-CA 123.065 0.364 . . . . 75.31 112.612 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.43 ' HB2' HG23 ' A' ' 97' ' ' ILE . 89.9 m-85 -109.86 147.48 33.27 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.893 0.477 . . . . 74.23 110.787 175.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.476 ' HG2' ' HD3' ' A' ' 123' ' ' LYS . 10.3 tp10 -75.9 109.56 9.63 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 114.961 -1.018 . . . . 75.53 108.661 173.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.89 134.49 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.252 0.621 . . . . 75.43 110.652 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -130.29 155.53 46.16 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.79 0.836 . . . . 71.34 109.489 177.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -123.6 136.56 54.58 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.132 0.973 . . . . 72.15 109.119 177.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.4 m -132.15 163.81 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.439 1.096 . . . . 75.21 110.201 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.2 p -125.51 -15.71 6.03 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.095 0.958 . . . . 75.33 111.204 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -109.51 152.58 25.25 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.463 0.649 . . . . 72.55 111.119 177.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -51.75 40.59 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.434 -1.257 . . . . 74.23 110.141 176.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -62.5 -27.76 69.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.836 0.854 . . . . 61.24 111.772 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -77.53 -38.75 48.07 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.374 1.069 . . . . 73.5 110.604 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.37 94.74 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.278 0.631 . . . . 63.12 111.404 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.35 -31.86 73.23 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.764 0.826 . . . . 74.21 111.202 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 63.4 mttp -63.25 -47.06 84.01 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.337 0.655 . . . . 74.3 110.284 173.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.478 HG23 HD13 ' A' ' 81' ' ' LEU . 46.6 mm -69.45 -34.24 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.273 0.629 . . . . 74.32 111.477 -175.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 121' ' ' MET . 82.1 t -54.09 -49.91 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 109.405 -0.591 . . . . 72.45 109.405 171.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 -64.15 -31.94 73.33 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.501 -0.772 . . . . 71.25 112.171 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.88 -46.99 85.28 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.745 0.418 . . . . 53.42 110.219 172.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.487 ' HA ' ' HD2' ' A' ' 123' ' ' LYS . 22.1 m-30 -63.87 -29.13 70.35 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.259 1.024 . . . . 61.15 112.173 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 98.3 mmm -70.21 -34.46 72.95 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.375 0.67 . . . . 72.42 110.851 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -73.39 -36.31 66.02 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.747 -0.66 . . . . 71.42 110.293 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.487 ' HD2' ' HA ' ' A' ' 120' ' ' PHE . 62.1 mttm -67.05 -47.5 71.15 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.39 1.076 . . . . 71.43 110.541 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 127' ' ' LEU . . . -65.94 -32.54 74.09 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.055 0.942 . . . . 73.41 110.725 177.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.74 -37.38 76.14 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-N 115.334 -0.848 . . . . 62.4 112.139 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.0 m -65.27 -22.86 66.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.499 0.72 . . . . 75.33 111.453 176.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.489 HD12 ' HG3' ' A' ' 77' ' ' LYS . 30.2 mt . . . . . 0 CA--C 1.544 0.744 0 C-N-CA 123.556 0.742 . . . . 72.12 110.389 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 109.923 -0.399 . . . . 75.32 109.923 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.513 ' HE3' ' HB3' ' A' ' 52' ' ' GLU . 3.1 ttmp? -159.07 153.79 24.6 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.519 -0.919 . . . . 74.41 108.519 172.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 79.2 mt -119.08 109.55 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.03 0.932 . . . . 73.0 108.874 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.7 mp -105.43 136.79 44.34 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.748 -0.834 . . . . 74.31 108.748 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.5 mt -113.04 114.49 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.189 -1.411 . . . . 73.24 107.189 164.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.481 HD23 ' SD ' ' A' ' 67' ' ' MET . 84.7 mt -88.65 132.5 34.54 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.297 -1.001 . . . . 74.31 108.297 178.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.7 mm -125.49 113.41 34.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.871 -1.159 . . . . 75.22 107.871 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -119.29 97.98 5.93 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.569 -1.641 . . . . 72.01 106.569 168.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 t -132.31 139.7 48.3 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 115.281 -0.872 . . . . 74.3 109.491 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -75.87 -19.74 58.63 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.27 -0.877 . . . . 74.14 109.846 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -75.34 88.36 2.57 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.841 0.857 . . . . 75.32 109.062 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.18 -34.09 76.78 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.812 0.845 . . . . 72.32 111.353 -176.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.35 -40.54 71.38 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.799 1.24 . . . . 71.23 111.515 172.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.9 tp -71.37 -33.65 69.74 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.769 1.227 . . . . 75.14 111.194 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.2 mt -63.23 -39.6 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 122.972 0.509 . . . . 75.31 110.834 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -57.4 -33.19 67.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 123.82 0.7 . . . . 74.14 110.543 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.412 ' HE2' HD12 ' A' ' 114' ' ' LEU . 49.1 mtpt -81.33 -42.94 19.79 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.806 1.242 . . . . 73.43 110.722 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.72 -36.0 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.945 0.898 . . . . 73.53 109.835 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HE2' HG11 ' A' ' 29' ' ' VAL . 8.6 mtpm? -58.83 -57.03 14.84 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.167 -0.924 . . . . 72.1 109.557 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HB3' ' HZ3' ' A' ' 20' ' ' LYS . 4.4 mmmp? -56.85 -32.24 65.59 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.216 0.606 . . . . 75.31 112.053 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.73 -55.41 23.5 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.263 0.625 . . . . 74.54 111.128 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.0 m -80.91 -22.68 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 112.911 0.708 . . . . 71.24 112.911 -171.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.13 -21.64 60.68 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.662 0.785 . . . . 75.42 110.803 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.94 -18.85 64.88 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.175 0.59 . . . . 74.51 111.019 170.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -108.56 8.78 27.34 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.015 0.926 . . . . 74.2 111.264 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.38 37.39 62.81 Favored Glycine 0 C--N 1.347 1.145 0 N-CA-C 114.287 0.475 . . . . 55.21 114.287 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -75.82 127.21 32.54 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.832 -0.433 . . . . 73.25 109.832 170.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -79.79 114.23 18.55 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.35 -0.982 . . . . 74.12 108.35 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.57 HG11 ' HE2' ' A' ' 19' ' ' LYS . 43.0 t -87.15 127.91 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.859 -0.422 . . . . 75.44 109.859 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -117.33 159.49 22.64 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.374 1.07 . . . . 73.42 108.506 170.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -129.84 112.68 13.81 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.377 -0.972 . . . . 64.33 108.377 171.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.558 HG12 HD13 ' A' ' 63' ' ' LEU . 63.3 t -111.7 110.76 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.417 1.087 . . . . 72.04 108.302 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.77 -36.76 7.73 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.713 0.805 . . . . 72.3 109.759 175.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -117.0 158.83 23.46 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.543 0.737 . . . . 74.11 110.658 -173.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.2 t -65.75 -21.84 66.55 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.606 1.162 . . . . 71.35 112.022 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.573 ' HA ' ' HZ3' ' A' ' 39' ' ' LYS . 18.4 t70 -60.11 -58.88 6.64 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 123.476 0.71 . . . . 65.25 109.358 170.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.71 -27.57 67.99 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.626 1.204 . . . . 75.41 111.275 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.3 tp -65.28 -61.5 2.09 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.484 0.714 . . . . 75.23 110.474 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.573 ' HZ3' ' HA ' ' A' ' 36' ' ' ASP . 2.5 pptp? -68.38 -25.08 64.89 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 123.541 0.525 . . . . 75.52 111.997 -172.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.505 ' HB3' ' HZ3' ' A' ' 40' ' ' LYS . 4.5 mmmp? -62.34 -48.24 80.68 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.715 0.635 . . . . 74.53 110.036 175.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.507 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 62.8 mm-40 -77.8 -27.23 50.09 Favored 'General case' 0 C--N 1.348 0.5 0 N-CA-C 112.337 0.495 . . . . 72.32 112.337 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.475 ' HE3' ' HB2' ' A' ' 70' ' ' LEU . 93.2 mmm -66.57 -31.29 71.9 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.119 0.168 . . . . 64.44 110.651 174.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -61.41 -48.59 80.5 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 109.285 -0.635 . . . . 75.21 109.285 169.763 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -57.59 -36.75 72.15 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.905 0.882 . . . . 74.33 111.279 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 51.5 mt -70.31 -36.77 74.53 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.699 0.8 . . . . 73.42 110.638 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.9 -36.96 64.8 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.677 0.791 . . . . 72.33 112.192 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 6.3 mm-40 -75.47 -61.85 1.77 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.887 -0.783 . . . . 64.22 108.887 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -93.43 93.78 8.33 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 108.623 -0.88 . . . . 64.04 108.623 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.629 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -101.22 8.93 42.35 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.29 1.036 . . . . 74.43 109.75 173.421 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -65.01 162.71 16.11 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.773 1.229 . . . . 75.23 110.247 168.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.01 129.53 41.88 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 120.957 0.408 . . . . 74.43 111.508 -175.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.513 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 11.3 tp10 -159.54 158.84 32.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.156 -0.929 . . . . 73.42 109.104 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -125.57 115.67 20.54 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.198 -1.038 . . . . 75.12 108.198 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.5 mt -127.44 125.9 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.165 0.986 . . . . 74.14 109.829 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.3 tp -86.46 131.92 34.06 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.22 -1.03 . . . . 73.42 108.22 169.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.468 HG21 ' HE2' ' A' ' 67' ' ' MET . 30.5 mm -115.47 122.11 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 108.719 -0.845 . . . . 74.21 108.719 172.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -96.52 140.26 31.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.318 1.047 . . . . 74.15 109.053 171.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.431 ' HB2' HD13 ' A' ' 64' ' ' LEU . 68.8 m -149.43 144.74 26.54 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.21 0.604 . . . . 65.22 111.214 174.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -102.51 -2.32 28.84 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.209 1.004 . . . . 75.33 110.223 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.467 ' HB3' HD11 ' A' ' 63' ' ' LEU . 24.1 t70 -118.82 139.11 52.14 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.031 0.932 . . . . 72.14 109.685 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.437 ' HZ1' ' HB3' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -79.51 -36.15 38.95 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.596 0.758 . . . . 73.51 112.424 -176.412 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -69.21 -34.51 74.99 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.879 0.871 . . . . 72.55 110.99 -169.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.558 HD13 HG12 ' A' ' 32' ' ' VAL . 86.0 mt -52.27 -40.1 61.3 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.883 0.873 . . . . 75.3 111.587 176.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.431 HD13 ' HB2' ' A' ' 58' ' ' SER . 6.6 mp -70.57 -40.1 73.52 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.33 1.052 . . . . 74.05 110.489 -176.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -61.72 -56.47 19.28 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.196 -0.668 . . . . 74.23 109.196 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -54.62 -43.28 72.13 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 125.045 1.466 . . . . 75.51 110.953 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.481 ' SD ' HD23 ' A' ' 6' ' ' LEU . 33.9 ttm -60.12 -53.04 62.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.169 0.987 . . . . 74.33 110.423 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.82 -26.91 65.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.218 1.007 . . . . 74.25 112.19 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.78 -30.36 64.04 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.181 0.592 . . . . 64.43 110.4 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.475 ' HB2' ' HE3' ' A' ' 42' ' ' MET . 72.6 mt -84.12 -28.25 27.62 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.616 0.766 . . . . 73.31 110.732 174.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.404 HG22 HG23 ' A' ' 78' ' ' VAL . 70.2 mt -73.17 -22.43 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.052 0.941 . . . . 73.54 109.861 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.9 t -57.67 -31.3 66.2 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.343 0.657 . . . . 74.42 111.169 171.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -73.6 -33.57 64.67 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.528 0.731 . . . . 74.01 111.457 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -81.61 -48.42 11.77 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.128 0.571 . . . . 65.45 111.159 -174.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.42 73.74 1.15 Allowed Glycine 0 C--N 1.343 0.938 0 C-N-CA 123.391 0.52 . . . . 51.43 113.53 172.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -149.49 174.18 12.77 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.172 0.589 . . . . 75.41 111.18 174.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -73.45 120.79 19.54 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.989 0.916 . . . . 73.12 111.105 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.404 HG23 HG22 ' A' ' 71' ' ' ILE . 42.1 t -124.94 139.28 51.52 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.813 -0.81 . . . . 72.15 108.813 169.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -107.33 157.93 17.55 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.972 1.309 . . . . 72.51 108.388 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.6 tp -148.36 136.2 20.85 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.061 0.458 . . . . 72.44 110.578 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' ' 113' ' ' ALA . 41.8 tp -125.11 133.37 52.88 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.448 1.099 . . . . 72.53 109.239 174.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.529 ' HB3' HD23 ' A' ' 90' ' ' LEU . 75.0 mt -121.06 124.75 45.58 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.267 1.027 . . . . 74.14 108.708 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.94 110.62 5.85 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 118.421 0.555 . . . . 73.33 110.742 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.42 ' HB3' HD13 ' A' ' 90' ' ' LEU . 24.0 t70 -159.51 162.72 35.55 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.037 0.535 . . . . 72.14 110.079 -177.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -57.36 -47.32 81.93 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.944 1.298 . . . . 75.32 110.522 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -78.37 83.03 4.62 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.638 -1.245 . . . . 71.53 107.638 173.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.544 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -73.43 -21.21 60.53 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.579 -1.191 . . . . 74.41 110.808 -179.353 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -71.35 -43.19 67.43 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.491 1.116 . . . . 72.31 111.016 -174.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -31.8 71.27 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 123.502 0.501 . . . . 74.45 110.649 178.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.529 HD23 ' HB3' ' A' ' 82' ' ' LEU . 78.8 mt -69.08 -39.76 78.87 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.604 0.761 . . . . 75.31 110.455 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.526 ' HB2' ' HZ3' ' A' ' 106' ' ' LYS . 35.6 tt0 -69.28 -35.19 75.79 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.492 0.495 . . . . 75.23 110.352 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -69.55 -45.67 68.2 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.936 0.894 . . . . 74.51 109.482 176.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.55 -46.71 87.11 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.934 1.294 . . . . 71.32 111.079 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -34.55 78.58 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.531 -0.758 . . . . 72.53 110.365 -173.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -62.08 -33.34 74.23 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.388 0.675 . . . . 73.53 111.88 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.6 -45.01 61.21 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.816 0.846 . . . . 71.42 110.597 176.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.1 mm -66.84 -33.15 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-O 122.025 0.917 . . . . 72.11 110.552 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.45 -35.56 68.3 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.503 1.521 . . . . 73.23 110.118 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -72.31 -30.11 64.48 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.783 -1.099 . . . . 65.54 110.418 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.98 -19.72 65.76 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.133 0.573 . . . . 71.41 111.23 173.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.44 27.53 9.13 Favored Glycine 0 C--N 1.348 1.245 0 C-N-CA 122.845 0.26 . . . . 60.21 112.556 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -109.1 144.28 37.34 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.323 0.649 . . . . 75.32 110.013 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -72.99 113.12 9.66 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 108.779 -0.823 . . . . 74.5 108.779 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.4 p -139.18 142.22 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.056 0.543 . . . . 74.5 109.935 -175.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -133.72 139.04 46.15 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.549 0.74 . . . . 75.3 109.911 -177.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.544 ' HE3' ' HB2' ' A' ' 87' ' ' GLU . 1.7 tmtp? -102.69 122.86 45.29 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.827 1.251 . . . . 73.4 108.101 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.1 m -137.93 -178.97 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.892 1.277 . . . . 70.24 109.657 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 m -148.9 -42.38 0.15 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.561 0.745 . . . . 74.1 109.618 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.04 154.04 31.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.82 0.848 . . . . 75.14 111.143 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.56 -60.26 2.88 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.593 1.157 . . . . 73.53 111.852 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.15 -21.18 56.88 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 120.619 0.247 . . . . 73.22 110.76 -174.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.475 ' O ' HG12 ' A' ' 116' ' ' ILE . 42.8 tt0 -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 115.592 -0.731 . . . . 74.31 110.046 170.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.436 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -61.91 -44.5 96.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 122.53 0.332 . . . . 74.12 111.24 175.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.412 HD12 ' HE2' ' A' ' 17' ' ' LYS . 96.1 mt -62.93 -38.18 90.0 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.411 0.684 . . . . 75.43 112.042 -176.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 14.0 ptmm? -74.54 -26.58 60.05 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.646 0.378 . . . . 75.45 110.955 -177.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 112' ' ' GLU . 37.5 mm -73.01 -42.96 59.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 123.548 0.739 . . . . 73.23 110.543 175.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.4 t -56.07 -40.19 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.398 0.679 . . . . 74.31 110.092 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 99.9 mtt180 -64.46 -32.69 74.43 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.443 -0.799 . . . . 73.34 111.638 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.85 -48.3 74.83 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 110.346 -0.242 . . . . 75.3 110.346 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 22.8 m-30 -54.91 -36.51 65.28 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.496 0.719 . . . . 73.25 111.57 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 78.6 mtp -73.02 -31.24 64.33 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.044 0.938 . . . . 73.5 111.073 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 84.9 mm-40 -67.37 -43.67 80.86 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.307 0.643 . . . . 70.44 110.828 175.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.474 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 3.8 mptp? -62.03 -46.13 90.51 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 109.203 -0.666 . . . . 74.5 109.203 173.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.533 ' HA ' HD13 ' A' ' 127' ' ' LEU . . . -61.89 -41.57 98.04 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.314 1.046 . . . . 71.44 112.533 -171.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.1 -48.69 84.85 Favored Glycine 0 C--N 1.346 1.119 0 N-CA-C 111.102 -0.799 . . . . 72.32 111.102 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.0 m -60.41 -29.14 68.79 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.44 1.096 . . . . 73.4 112.516 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 124' ' ' ALA . 75.2 mt . . . . . 0 N--CA 1.486 1.34 0 C-N-CA 123.478 0.711 . . . . 74.43 110.938 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.678 -0.49 . . . . 71.12 109.678 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.479 ' HE3' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -160.01 168.1 26.4 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.395 1.078 . . . . 74.22 108.852 172.409 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.556 HD13 ' HB3' ' A' ' 124' ' ' ALA . 75.8 mt -110.09 123.06 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 109.158 -0.682 . . . . 74.12 109.158 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.479 HD12 ' HE3' ' A' ' 2' ' ' LYS . 9.6 mp -122.21 121.81 37.69 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.814 -0.81 . . . . 74.43 108.814 168.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.6 mt -106.63 112.17 38.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.506 -1.294 . . . . 74.25 107.506 169.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.498 HD21 ' SD ' ' A' ' 67' ' ' MET . 85.7 mt -87.02 124.3 33.05 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.884 0.874 . . . . 73.45 109.031 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.441 HG13 HG21 ' A' ' 18' ' ' ILE . 46.0 mm -111.84 116.08 51.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 108.646 -0.872 . . . . 71.45 108.646 173.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.431 ' HB2' HD23 ' A' ' 64' ' ' LEU . 28.1 t-20 -124.56 104.67 8.84 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 108.185 -1.043 . . . . 70.12 108.185 169.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.427 ' HB ' ' HB2' ' A' ' 83' ' ' ALA . 4.5 t -130.94 143.95 51.11 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.844 -0.616 . . . . 74.2 111.09 175.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -65.65 -24.36 67.01 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.731 1.212 . . . . 73.52 109.693 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -95.71 93.97 7.42 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.445 1.098 . . . . 73.0 109.383 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.08 -25.49 68.13 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.225 0.61 . . . . 74.11 111.096 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.65 -42.33 98.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.945 0.898 . . . . 72.44 111.178 174.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.54 -34.49 74.2 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.965 0.906 . . . . 74.41 111.045 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.36 -41.31 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.083 0.553 . . . . 71.22 111.495 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 66.9 mttm -50.93 -43.67 60.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 123.719 0.637 . . . . 75.44 110.867 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.64 -42.17 71.2 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.292 -1.322 . . . . 73.32 110.265 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.441 HG21 HG13 ' A' ' 7' ' ' ILE . 83.0 mt -63.44 -33.34 60.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 123.801 0.84 . . . . 72.43 111.155 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 25.1 mtpp -62.84 -53.73 49.68 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.568 0.747 . . . . 74.24 110.175 177.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HB3' ' HZ3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -63.74 -32.81 74.43 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.256 -0.884 . . . . 73.31 110.013 -178.318 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.79 -48.93 72.69 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.915 1.286 . . . . 74.44 110.88 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.57 HG11 HD13 ' A' ' 55' ' ' LEU . 26.3 m -73.4 -24.29 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 115.935 -0.575 . . . . 74.44 111.979 -176.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 50.1 mt-10 -61.68 -27.39 68.65 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.978 0.511 . . . . 74.53 111.775 173.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -68.52 -17.19 64.11 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.808 0.443 . . . . 73.14 111.981 176.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -111.34 -3.38 15.3 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.617 0.767 . . . . 71.35 111.448 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.43 32.43 22.43 Favored Glycine 0 C--N 1.351 1.387 0 O-C-N 123.31 0.381 . . . . 64.54 113.894 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.548 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 4.3 m-85 -88.19 141.27 28.7 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.203 0.601 . . . . 74.21 110.041 174.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.71 167.73 17.92 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.853 -1.067 . . . . 73.42 108.304 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.9 t -127.59 128.8 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 108.38 -0.97 . . . . 72.51 108.38 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.597 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -121.22 111.57 17.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.277 1.031 . . . . 75.33 109.638 -177.356 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.62 111.9 19.53 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.352 0.596 . . . . 73.01 110.916 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.474 HG11 HD12 ' A' ' 63' ' ' LEU . 89.9 t -102.72 108.62 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.467 -1.242 . . . . 62.32 107.883 167.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.462 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 26.0 m-80 -93.19 -36.82 12.42 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.023 0.929 . . . . 74.54 110.511 -178.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -141.63 172.86 12.11 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.323 -0.853 . . . . 73.44 110.364 -166.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -58.47 -35.83 72.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.736 1.214 . . . . 73.12 112.179 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 27.5 t70 -65.75 -49.55 67.97 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.509 0.724 . . . . 73.41 109.617 176.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 8.8 mm-40 -56.69 -40.13 75.05 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 124.15 0.906 . . . . 73.43 110.721 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.8 tp -60.49 -61.23 2.75 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.898 0.879 . . . . 74.43 110.079 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -64.04 -36.03 82.65 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 124.108 0.88 . . . . 73.41 111.454 -171.228 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HZ2' ' HB2' ' A' ' 40' ' ' LYS . 10.0 mtmp? -56.46 -51.84 66.91 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 122.755 0.422 . . . . 75.45 109.943 176.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 11.1 mm-40 -73.44 -24.44 60.24 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 115.344 -0.844 . . . . 73.13 110.83 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.724 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 74.8 mmm -70.39 -35.42 73.48 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 118.64 -0.695 . . . . 73.43 112.102 -178.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -59.48 -43.8 93.2 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 109.485 -0.561 . . . . 74.34 109.485 170.13 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 11.3 mmpt? -60.31 -61.07 2.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.826 0.704 . . . . 74.31 110.366 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 HD13 HD21 ' A' ' 4' ' ' LEU . 51.6 mt -55.76 -30.34 61.09 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.116 1.366 . . . . 61.05 111.962 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.2 -47.67 41.64 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 123.191 0.596 . . . . 73.14 111.252 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 36.5 mm-40 -68.29 -22.54 64.72 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.511 0.724 . . . . 74.1 111.525 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 44' ' ' LYS . 50.1 mt-10 -74.26 91.12 2.13 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.451 0.7 . . . . 74.5 111.034 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -85.37 -16.12 40.94 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.661 0.784 . . . . 74.4 109.963 169.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -66.58 142.45 57.48 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.603 0.761 . . . . 75.44 110.531 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -75.8 118.17 18.32 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.501 -0.772 . . . . 73.44 109.607 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -155.39 143.88 20.37 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.143 0.497 . . . . 62.12 110.501 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.555 ' HG2' HD11 ' A' ' 3' ' ' ILE . 18.0 mtmm -91.04 108.41 19.84 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 125.714 1.606 . . . . 70.43 109.306 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.9 mt -123.91 125.58 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 123.733 0.813 . . . . 73.11 109.766 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.57 HD13 HG11 ' A' ' 22' ' ' VAL . 16.0 tp -90.01 123.14 33.65 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.633 -1.247 . . . . 75.44 107.633 168.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.521 HG22 ' HE1' ' A' ' 67' ' ' MET . 41.4 mm -95.24 120.23 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 109.115 -0.698 . . . . 62.12 109.115 173.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -92.98 122.31 35.21 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.813 1.245 . . . . 72.34 108.431 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.567 ' HB3' HD13 ' A' ' 64' ' ' LEU . 36.2 t -158.38 139.05 12.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.075 0.464 . . . . 54.51 110.131 175.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -100.01 -16.1 18.03 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.897 0.879 . . . . 72.25 110.201 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.28 131.6 42.61 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.234 0.614 . . . . 73.55 110.019 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HG2' ' OD1' ' A' ' 8' ' ' ASN . 90.5 mttt -79.23 -29.14 42.6 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.652 1.181 . . . . 73.12 112.279 -171.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 14.0 mm100 -69.56 -39.93 77.11 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.073 0.549 . . . . 75.11 110.882 -177.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.474 HD12 HG11 ' A' ' 32' ' ' VAL . 92.3 mt -56.1 -39.73 72.6 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.721 0.808 . . . . 72.33 112.541 -176.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 58' ' ' SER . 7.6 mp -71.76 -30.82 65.99 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.307 0.643 . . . . 74.24 111.073 -177.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 50.8 mtpt -66.2 -49.96 65.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.101 0.561 . . . . 75.22 110.056 175.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 15.9 mm-40 -60.64 -36.55 78.95 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.0 0.92 . . . . 64.45 110.455 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.724 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 44.1 ttm -63.19 -49.34 74.63 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.261 -1.336 . . . . 73.33 110.497 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.48 HD21 HD12 ' A' ' 71' ' ' ILE . 90.5 mt -67.86 -20.72 65.17 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.756 0.823 . . . . 74.24 112.753 -175.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.7 -32.12 65.53 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.916 0.389 . . . . 64.13 110.456 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.427 ' HB2' ' HE1' ' A' ' 42' ' ' MET . 71.3 mt -83.14 -35.4 25.6 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.621 0.768 . . . . 72.22 110.16 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.501 HG23 HG22 ' A' ' 78' ' ' VAL . 57.7 mt -67.76 -26.25 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.879 0.872 . . . . 74.35 110.538 177.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.5 t -55.28 -35.32 64.93 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.748 0.819 . . . . 64.13 111.452 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -75.71 -27.87 58.36 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.701 0.801 . . . . 75.13 111.174 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 71' ' ' ILE . 47.8 mt -84.28 -44.64 13.65 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.975 0.91 . . . . 64.4 110.908 -173.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.1 70.03 1.3 Allowed Glycine 0 C--N 1.349 1.291 0 CA-C-N 116.054 -0.521 . . . . 42.13 114.089 172.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -141.24 159.63 41.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.518 0.727 . . . . 74.44 110.244 172.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -70.61 114.6 8.88 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.943 0.897 . . . . 74.21 110.505 -175.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.501 HG22 HG23 ' A' ' 71' ' ' ILE . 60.1 t -110.7 139.93 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.093 0.957 . . . . 64.13 109.5 176.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -116.82 109.26 16.87 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.164 0.986 . . . . 72.24 109.123 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.462 HD23 HG21 ' A' ' 97' ' ' ILE . 17.6 tp -102.46 127.82 49.34 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.717 0.807 . . . . 74.4 110.091 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.8 tp -111.06 126.36 54.73 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.706 0.803 . . . . 71.43 109.333 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.586 ' HB3' HD21 ' A' ' 90' ' ' LEU . 95.1 mt -107.5 118.95 38.06 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.362 1.065 . . . . 72.43 108.307 174.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.427 ' HB2' ' HB ' ' A' ' 9' ' ' THR . . . -132.24 110.31 10.54 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.99 0.516 . . . . 54.32 109.886 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -141.5 166.13 25.61 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 107.767 -1.197 . . . . 73.31 107.767 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -6.86 39.9 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.173 0.589 . . . . 72.34 112.15 175.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -133.4 118.38 18.36 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.029 0.932 . . . . 71.43 110.351 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.755 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -80.65 -22.39 40.55 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.819 1.248 . . . . 74.23 112.223 -179.218 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.59 -49.28 71.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.784 0.834 . . . . 74.31 110.812 -173.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.44 -39.27 88.81 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.526 0.73 . . . . 75.4 110.585 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.586 HD21 ' HB3' ' A' ' 82' ' ' LEU . 81.7 mt -63.96 -38.95 92.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.907 0.483 . . . . 73.35 111.63 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.534 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 32.7 tt0 -69.76 -39.64 76.57 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 123.435 0.459 . . . . 74.42 109.77 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.36 -40.4 94.16 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 124.646 1.178 . . . . 72.44 109.766 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.75 -48.01 64.8 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.807 1.243 . . . . 53.24 111.033 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HG3' ' HA ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -69.72 -18.62 63.54 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.862 0.465 . . . . 75.53 111.437 -173.061 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 27.6 mmm180 -64.81 -36.95 85.98 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.249 0.62 . . . . 75.31 111.195 175.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.24 -47.7 83.23 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.347 0.659 . . . . 74.43 110.456 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.462 HG21 HD23 ' A' ' 80' ' ' LEU . 34.2 mm -67.39 -38.92 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 114.879 -1.055 . . . . 74.54 110.574 -173.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.03 -31.22 64.31 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.838 1.255 . . . . 75.52 110.523 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.5 t -71.92 -21.37 61.63 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.088 0.555 . . . . 74.32 111.015 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -88.05 -3.37 58.91 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.603 0.761 . . . . 74.22 110.859 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.04 36.74 45.46 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.144 0.277 . . . . 55.2 113.388 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -109.6 142.6 40.47 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.441 0.696 . . . . 75.43 109.979 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -74.23 113.73 11.76 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 123.818 0.847 . . . . 64.4 108.792 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.7 p -138.95 127.52 28.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 O-C-N 123.201 0.313 . . . . 74.01 111.311 -173.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -113.83 142.28 46.29 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.771 0.829 . . . . 71.44 110.02 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.755 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -109.58 123.9 50.23 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.964 1.305 . . . . 73.34 108.892 179.093 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.1 m -139.1 163.05 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 124.304 1.042 . . . . 74.5 109.531 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.5 p -128.23 -10.28 5.26 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.631 0.773 . . . . 72.03 112.347 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -109.04 155.03 21.4 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.574 0.35 . . . . 74.04 110.795 -173.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.6 -60.47 2.69 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.767 1.227 . . . . 62.43 111.435 -175.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.26 -27.07 64.14 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.226 0.329 . . . . 73.34 110.115 -175.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.544 ' O ' HG12 ' A' ' 116' ' ' ILE . 9.0 tp10 -61.75 -48.24 81.59 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 123.937 0.773 . . . . 74.51 109.857 174.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.29 -48.78 76.65 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.173 0.589 . . . . 73.25 111.346 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 64.6 mt -55.15 -39.97 70.08 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.253 1.021 . . . . 70.44 111.386 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -62.52 -47.8 82.32 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.742 1.217 . . . . 72.31 110.434 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 112' ' ' GLU . 46.2 mm -68.7 -31.75 52.15 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 O-C-N 123.951 0.782 . . . . 75.13 111.258 -177.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.23 -47.04 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 123.472 0.709 . . . . 72.33 110.222 173.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -68.18 -36.46 79.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.091 -0.959 . . . . 74.23 110.965 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.78 -34.47 75.61 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.044 -0.525 . . . . 72.24 110.959 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -63.19 -38.78 92.51 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.037 0.535 . . . . 73.23 110.791 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.551 ' SD ' ' HA ' ' A' ' 22' ' ' VAL . 77.3 mtm -73.0 -28.51 62.42 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.726 0.639 . . . . 53.33 112.726 -177.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.94 -34.72 44.18 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.588 0.631 . . . . 74.12 110.485 177.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.37 -30.18 68.12 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 122.941 0.496 . . . . 75.24 110.247 171.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.556 ' HB3' HD13 ' A' ' 3' ' ' ILE . . . -77.11 -29.24 54.73 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.4 -0.818 . . . . 73.5 110.685 177.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.32 -24.23 70.53 Favored Glycine 0 C--N 1.349 1.265 0 N-CA-C 112.189 -0.364 . . . . 73.4 112.189 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.9 t -72.71 -21.88 60.98 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.246 1.018 . . . . 72.43 110.569 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 N--CA 1.481 1.111 0 C-N-CA 123.879 0.871 . . . . 74.01 111.283 -178.036 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.731 -0.47 . . . . 74.43 109.731 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.472 ' NZ ' ' HA ' ' A' ' 45' ' ' LEU . 69.2 tttt -158.87 134.46 8.69 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.049 -1.093 . . . . 65.42 108.049 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.414 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 68.4 mt -107.7 123.29 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 122.851 0.46 . . . . 73.34 110.137 -175.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.41 HD21 HD21 ' A' ' 45' ' ' LEU . 11.1 mp -118.98 141.94 48.22 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 108.62 -0.881 . . . . 74.24 108.62 171.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.9 mt -124.75 112.35 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 107.12 -1.437 . . . . 73.51 107.12 167.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.425 ' HB2' HD12 ' A' ' 80' ' ' LEU . 81.8 mt -88.2 137.04 32.68 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.459 -0.941 . . . . 63.1 108.459 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.4 mm -127.95 115.83 40.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 108.112 -1.07 . . . . 75.4 108.112 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -127.94 103.55 7.31 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 107.588 -1.264 . . . . 73.33 107.588 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 8.1 t -129.43 145.35 51.43 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.254 -0.884 . . . . 74.23 109.948 174.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -73.53 -19.59 60.87 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 115.225 -0.898 . . . . 73.51 111.061 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -109.51 115.3 29.66 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.26 0.552 . . . . 74.32 110.369 173.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.74 -19.44 64.34 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.46 0.704 . . . . 73.54 111.498 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -55.54 -38.47 69.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.273 0.629 . . . . 72.21 110.923 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 110' ' ' ASP . 19.4 tp -64.69 -44.86 88.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.105 -0.952 . . . . 73.03 111.229 176.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.516 HD12 ' HG3' ' A' ' 57' ' ' LYS . 57.2 mt -60.16 -41.29 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.796 0.438 . . . . 60.04 110.747 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.497 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 10.5 mtmp? -61.57 -26.9 68.25 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.568 0.542 . . . . 73.33 112.129 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' A' ' 110' ' ' ASP . 36.7 mtmm -78.93 -46.43 18.4 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.808 0.443 . . . . 74.14 111.413 170.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.18 -32.15 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.207 1.003 . . . . 74.35 111.254 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 28.9 mtpp -57.45 -53.17 61.21 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.418 -0.81 . . . . 64.33 109.608 174.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -65.23 -34.13 77.62 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.628 -0.715 . . . . 75.52 111.017 -175.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.56 -53.89 53.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.597 0.759 . . . . 74.41 110.275 174.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.501 HG11 HD11 ' A' ' 55' ' ' LEU . 19.2 m -76.37 -17.5 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 N-CA-C 112.531 0.567 . . . . 62.25 112.531 -173.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 28.9 mm-40 -62.36 -33.1 74.08 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.406 0.282 . . . . 71.32 111.506 174.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -59.62 -29.48 68.04 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.379 0.672 . . . . 63.53 112.058 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -110.37 8.65 23.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.539 0.736 . . . . 74.31 112.755 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.14 38.32 59.35 Favored Glycine 0 C--N 1.344 0.976 0 N-CA-C 114.425 0.53 . . . . 75.53 114.425 170.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -79.82 157.65 26.98 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 121.105 0.479 . . . . 74.23 110.423 172.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -106.0 113.94 27.79 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.821 1.248 . . . . 73.32 108.023 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.8 t -89.56 124.36 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-O 120.917 0.389 . . . . 64.14 110.407 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.463 ' HE ' ' HB3' ' A' ' 41' ' ' GLU . 23.8 tpt180 -128.04 118.88 24.29 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.737 1.215 . . . . 73.45 108.568 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -100.91 120.97 40.94 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.444 0.64 . . . . 75.41 110.829 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.414 HG23 ' HG2' ' A' ' 41' ' ' GLU . 42.4 t -88.3 114.1 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 125.118 1.367 . . . . 74.41 109.066 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.456 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 6.0 m120 -91.59 -24.13 19.67 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.459 0.704 . . . . 72.03 111.884 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -161.2 172.15 17.19 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.299 0.639 . . . . 60.23 109.954 -171.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.3 p -63.25 -27.6 69.45 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.591 0.756 . . . . 72.14 111.757 176.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.92 -50.44 68.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.736 0.815 . . . . 74.42 109.1 172.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.456 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 57.5 mm-40 -59.48 -33.28 71.13 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.918 -1.037 . . . . 74.54 111.109 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 67' ' ' MET . 36.3 tp -62.58 -56.19 20.22 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 123.749 0.656 . . . . 74.41 110.639 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -65.79 -29.02 69.46 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 111.599 0.222 . . . . 73.24 111.599 -177.459 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.76 -51.64 68.88 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.871 0.468 . . . . 75.34 111.138 174.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.17 -24.02 40.66 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.263 -0.426 . . . . 62.24 111.203 -178.06 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.525 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 40.8 mmm -65.09 -30.48 71.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.984 0.514 . . . . 73.44 110.979 174.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.1 -35.61 76.64 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.744 0.307 . . . . 73.24 110.481 170.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.446 ' HZ1' ' HB3' ' A' ' 44' ' ' LYS . 1.6 mmmp? -70.36 -27.31 64.24 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.885 0.474 . . . . 72.13 110.562 176.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 76.9 mt -83.54 -43.49 15.66 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.717 0.807 . . . . 75.31 111.44 178.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.57 -51.08 5.43 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.07 0.767 . . . . 74.41 113.07 -168.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.46 -46.43 76.41 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.688 -0.856 . . . . 72.03 108.688 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.422 ' HB3' ' ND2' ' A' ' 50' ' ' ASN . 10.6 mm-40 -95.82 102.63 14.44 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.044 -0.98 . . . . 71.22 109.922 175.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -102.52 17.36 23.84 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.817 -0.628 . . . . 73.13 109.759 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.422 ' ND2' ' HB3' ' A' ' 48' ' ' GLU . 8.7 p30 -62.94 150.61 41.71 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.147 0.579 . . . . 75.41 109.748 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.08 107.16 1.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 109.879 -0.415 . . . . 52.43 109.879 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -146.15 142.2 28.24 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 123.654 0.782 . . . . 75.5 108.935 175.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 53.8 mtmt -99.72 112.98 25.17 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.149 0.98 . . . . 72.11 108.37 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.7 121.08 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 O-C-N 123.359 0.412 . . . . 71.33 110.442 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.501 HD11 HG11 ' A' ' 22' ' ' VAL . 19.3 tp -84.18 108.39 17.05 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.09 -1.078 . . . . 74.44 108.09 167.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.615 HG23 ' HE1' ' A' ' 67' ' ' MET . 35.5 mm -91.42 121.93 42.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.896 0.379 . . . . 75.32 110.135 176.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.516 ' HG3' HD12 ' A' ' 15' ' ' ILE . 64.3 tttt -93.37 143.54 26.18 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.073 -1.084 . . . . 73.31 108.073 162.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.405 ' HB3' HD12 ' A' ' 64' ' ' LEU . 34.4 t -153.84 127.77 8.9 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.917 -0.771 . . . . 73.21 108.917 169.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -74.47 -37.49 63.18 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.965 0.791 . . . . 73.4 110.175 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -84.68 128.18 34.47 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.9 -0.591 . . . . 72.31 109.494 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.592 ' HZ1' ' HG2' ' A' ' 89' ' ' GLU . 33.0 mtpt -79.7 -26.62 40.85 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.346 1.058 . . . . 74.51 111.613 -170.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 24.5 mm-40 -72.32 -38.41 68.67 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.596 0.358 . . . . 75.13 110.61 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.443 HD22 HD23 ' A' ' 38' ' ' LEU . 83.3 mt -53.1 -32.77 49.03 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 124.21 0.944 . . . . 75.11 112.786 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 58' ' ' SER . 7.1 mp -65.23 -43.43 91.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.266 0.627 . . . . 73.31 111.123 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -66.4 -45.73 78.98 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.573 0.545 . . . . 74.51 110.481 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 6.4 mm-40 -64.75 -31.37 72.57 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.91 0.884 . . . . 74.13 111.007 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.615 ' HE1' HG23 ' A' ' 56' ' ' ILE . 41.5 ttm -69.64 -54.51 13.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.033 0.933 . . . . 73.34 110.13 175.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.466 HD22 HD11 ' A' ' 71' ' ' ILE . 81.1 mt -60.9 -31.57 71.07 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.049 0.94 . . . . 73.34 112.053 -175.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.16 -47.14 69.03 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.772 1.229 . . . . 75.52 110.266 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.1 mt -81.21 -31.89 33.72 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.107 -0.951 . . . . 73.44 111.459 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.545 HG23 HG22 ' A' ' 78' ' ' VAL . 50.7 mt -61.63 -30.43 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 123.897 0.879 . . . . 63.31 111.33 176.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.3 t -56.4 -31.84 64.25 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.566 0.746 . . . . 72.5 112.016 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.597 ' HZ3' ' HB3' ' A' ' 73' ' ' LYS . 8.2 mtpm? -75.69 -35.94 60.19 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.88 -0.6 . . . . 63.45 111.467 176.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.42 -35.29 77.42 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.392 0.677 . . . . 73.14 111.366 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.74 76.15 0.52 Allowed Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.286 -0.87 . . . . 75.42 113.46 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -151.89 168.76 24.13 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.447 0.699 . . . . 75.31 109.951 171.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -86.44 123.18 31.38 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.411 0.684 . . . . 75.45 109.361 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.545 HG22 HG23 ' A' ' 71' ' ' ILE . 43.2 t -119.58 144.45 28.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 124.519 1.127 . . . . 75.15 109.375 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -106.8 155.9 19.23 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.392 1.077 . . . . 74.12 108.387 172.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.453 HD21 HG22 ' A' ' 97' ' ' ILE . 15.0 tp -147.93 131.74 17.02 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.129 0.572 . . . . 74.52 109.743 176.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.493 HD23 ' HB1' ' A' ' 113' ' ' ALA . 40.8 tp -121.56 124.03 43.39 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.207 -0.906 . . . . 74.32 108.744 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.571 ' HB3' HD21 ' A' ' 90' ' ' LEU . 74.7 mt -110.91 125.98 54.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.634 -1.166 . . . . 75.12 108.157 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -138.37 121.5 16.84 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 121.064 0.459 . . . . 74.54 110.168 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 90' ' ' LEU . 35.6 t0 -168.6 150.91 5.06 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 107.06 -1.459 . . . . 73.12 107.06 -176.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -65.45 -34.84 79.24 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 123.735 0.647 . . . . 75.24 109.312 176.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.79 83.54 7.68 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 115.589 -0.732 . . . . 72.23 109.254 171.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.753 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 9.7 pt-20 -75.24 -21.19 58.78 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 114.814 -1.084 . . . . 72.13 112.074 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -62.43 -39.22 92.62 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.875 0.87 . . . . 73.11 110.519 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.592 ' HG2' ' HZ1' ' A' ' 61' ' ' LYS . 7.6 tp10 -60.4 -46.73 88.93 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.73 -1.123 . . . . 65.34 109.94 173.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.571 HD21 ' HB3' ' A' ' 82' ' ' LEU . 45.4 mt -70.14 -28.09 65.07 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 114.741 -1.118 . . . . 74.33 111.436 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.434 ' HA ' ' HG3' ' A' ' 94' ' ' LYS . 46.6 mt-10 -70.85 -48.41 54.06 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.488 0.493 . . . . 74.22 110.055 177.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.453 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 3.5 mm-40 -58.18 -37.26 74.4 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.655 0.597 . . . . 73.33 110.847 174.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -57.5 10.91 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.401 1.08 . . . . 74.45 109.6 177.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' HG3' ' HA ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -71.26 -24.77 62.23 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.674 0.62 . . . . 74.11 112.674 -170.509 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -66.16 -34.75 78.75 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.701 0.4 . . . . 74.21 111.118 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.453 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 13.6 mptt -73.58 -52.99 11.59 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.91 0.484 . . . . 75.23 109.815 175.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.5 HG21 ' HB2' ' A' ' 102' ' ' TYR . 40.1 mm -61.71 -42.03 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.778 0.831 . . . . 75.13 111.872 -173.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.68 -41.77 95.82 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.612 0.765 . . . . 72.41 109.994 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.5 t -65.81 -28.66 69.16 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.326 0.65 . . . . 70.0 111.179 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 49.0 mt-30 -80.37 -5.39 56.36 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.889 0.876 . . . . 73.21 111.695 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.17 45.21 4.5 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.194 0.309 . . . . 65.23 112.735 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.5 ' HB2' HG21 ' A' ' 97' ' ' ILE . 92.9 m-85 -124.54 151.06 45.17 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.458 0.703 . . . . 75.44 109.699 175.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -80.38 115.27 19.83 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.249 -1.019 . . . . 74.33 108.249 172.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.8 p -139.34 136.37 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 122.902 0.481 . . . . 62.22 110.074 -178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -129.15 146.66 51.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.104 0.562 . . . . 73.11 110.001 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.753 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.8 OUTLIER -112.19 119.06 37.07 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.773 -1.103 . . . . 70.44 108.315 -179.734 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.6 m -129.77 -176.8 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.519 1.128 . . . . 74.53 109.255 175.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.1 p -131.34 -57.19 1.01 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.353 0.661 . . . . 54.05 110.343 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.72 159.16 22.63 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.388 0.675 . . . . 73.03 111.968 -171.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.533 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . 6.6 m-20 -62.78 -59.36 4.98 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 124.68 1.192 . . . . 74.41 112.832 -176.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.32 -21.34 58.5 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.771 0.319 . . . . 75.23 111.057 -171.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.35 -47.75 75.36 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.214 -0.903 . . . . 74.34 110.024 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.493 ' HB1' HD23 ' A' ' 81' ' ' LEU . . . -62.07 -39.33 92.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.082 -0.963 . . . . 65.53 111.885 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.2 -36.78 75.97 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.442 0.697 . . . . 72.04 111.986 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -59.24 -44.22 92.37 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.113 0.565 . . . . 71.3 110.524 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 22.2 mm -72.48 -32.73 42.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.07 -0.968 . . . . 75.11 110.786 -175.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 86.1 t -60.93 -47.64 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.202 0.601 . . . . 74.31 109.587 172.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 97.4 mtt180 -60.83 -37.89 83.6 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 123.928 0.767 . . . . 73.02 110.882 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.419 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 29.8 mm-40 -61.7 -48.49 80.53 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.697 0.623 . . . . 74.52 110.471 174.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -60.78 -30.13 69.86 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.264 0.626 . . . . 72.1 111.803 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 77.4 mtp -75.78 -27.48 58.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.803 0.841 . . . . 63.21 111.202 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 22.5 mm-40 -73.74 -42.73 60.72 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.483 0.659 . . . . 75.31 109.28 175.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 53.2 mttm -69.3 -39.89 78.01 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 114.243 -1.344 . . . . 71.12 110.594 -177.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.0 -31.77 66.55 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.78 -0.645 . . . . 64.35 110.239 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.96 -36.75 92.7 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 115.729 -0.668 . . . . 73.45 111.629 171.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.1 m -75.4 -24.04 57.12 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.63 0.772 . . . . 71.34 111.602 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 96.7 mt . . . . . 0 N--CA 1.482 1.131 0 C-N-CA 122.915 0.486 . . . . 75.04 110.447 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 108.305 -0.998 . . . . 74.4 108.305 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -129.12 148.13 51.03 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.722 -0.844 . . . . 72.14 108.722 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.0 mt -91.75 105.65 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.201 -1.037 . . . . 74.41 108.201 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 mp -107.95 135.65 48.97 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.664 -0.865 . . . . 71.2 108.664 174.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.1 mt -123.66 111.12 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 107.62 -1.252 . . . . 74.13 107.62 169.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.553 HD23 ' SD ' ' A' ' 67' ' ' MET . 88.1 mt -89.89 129.73 36.21 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.371 0.668 . . . . 74.44 109.308 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.4 mm -117.92 117.98 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.615 -0.884 . . . . 71.52 108.615 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -129.87 102.57 6.36 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.609 -0.885 . . . . 61.41 108.609 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t -129.81 147.8 51.62 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.058 0.943 . . . . 71.51 110.047 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -62.09 -49.16 77.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.594 0.758 . . . . 73.21 109.898 176.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -86.41 117.1 24.99 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 121.165 0.507 . . . . 72.35 110.278 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.06 -27.25 65.47 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.163 0.985 . . . . 62.32 112.043 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.49 -29.81 68.11 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.694 0.798 . . . . 75.41 112.013 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.64 -41.05 93.05 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.256 -0.429 . . . . 75.51 111.323 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.52 HG23 ' HG2' ' A' ' 57' ' ' LYS . 33.3 mt -60.9 -37.28 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 123.291 0.369 . . . . 74.33 110.175 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -56.82 -39.47 74.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.001 0.92 . . . . 70.13 111.211 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -69.24 -47.79 63.72 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.147 -0.933 . . . . 74.43 110.102 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.69 -35.56 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.507 1.123 . . . . 73.24 111.017 -176.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -61.78 -56.59 17.86 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 115.557 -0.747 . . . . 72.13 110.038 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -68.75 -24.19 64.42 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.482 0.489 . . . . 73.04 111.536 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -62.06 -50.83 70.43 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.079 0.952 . . . . 74.11 110.435 173.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.433 HG13 ' SD ' ' A' ' 121' ' ' MET . 32.4 m -84.32 -25.79 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 115.718 -0.674 . . . . 71.23 112.465 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -68.06 -28.12 67.1 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.466 0.706 . . . . 65.31 111.12 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -54.36 -40.38 68.03 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.239 0.616 . . . . 73.15 110.049 170.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -97.67 11.54 36.72 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 114.791 -1.095 . . . . 75.55 112.696 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.28 37.61 27.7 Favored Glycine 0 C--N 1.346 1.131 0 N-CA-C 114.234 0.454 . . . . 73.44 114.234 171.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -89.78 122.79 33.19 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.807 0.443 . . . . 74.14 109.96 172.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -78.2 113.25 15.98 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.153 0.981 . . . . 72.4 109.284 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' ' 55' ' ' LEU . 38.1 t -94.72 134.49 31.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 122.807 0.443 . . . . 72.11 110.386 -175.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -142.99 150.91 40.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.572 1.149 . . . . 74.41 108.242 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -116.93 150.09 39.08 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.871 0.868 . . . . 74.33 110.604 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.3 t -95.68 122.45 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 N-CA-C 108.262 -1.014 . . . . 71.31 108.262 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.602 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 40.9 m-80 -103.61 -11.08 17.93 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.921 0.489 . . . . 73.24 111.802 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -173.28 170.21 4.32 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.619 0.768 . . . . 75.13 109.922 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 t -62.41 -27.09 68.86 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.753 0.821 . . . . 73.24 110.895 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.443 ' HA ' ' HZ2' ' A' ' 39' ' ' LYS . 10.2 t70 -65.45 -50.05 66.84 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.227 1.011 . . . . 72.43 109.231 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.602 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 16.4 mm-40 -63.06 -37.11 85.9 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.729 -1.123 . . . . 74.11 110.762 177.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 42' ' ' MET . 49.7 tp -58.25 -53.17 61.26 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 124.75 1.281 . . . . 73.14 110.759 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HZ2' ' HA ' ' A' ' 36' ' ' ASP . 1.9 pptp? -69.06 -29.47 67.61 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 111.807 0.299 . . . . 73.51 111.807 -177.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -59.06 -50.55 73.66 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.32 0.387 . . . . 73.24 110.531 172.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 6.1 pt-20 -77.36 -19.0 56.88 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.954 -0.546 . . . . 70.32 111.375 -179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.684 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 83.9 mmm -66.8 -28.96 68.8 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 118.4 0.546 . . . . 74.2 110.868 170.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -38.29 88.59 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 117.331 0.06 . . . . 74.41 111.137 167.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.65 -41.23 92.82 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 120.915 0.388 . . . . 74.23 110.418 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.0 mt -77.93 -46.23 21.79 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.751 0.82 . . . . 73.22 111.561 -175.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.56 -49.89 6.06 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.262 0.625 . . . . 75.13 112.576 -171.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -78.89 -47.45 16.49 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 120.63 0.252 . . . . 65.02 110.662 -172.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -82.78 76.69 9.61 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.852 0.834 . . . . 71.43 109.437 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -80.76 86.19 6.0 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.509 -1.223 . . . . 75.12 109.284 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -136.73 130.83 32.6 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 107.574 -1.269 . . . . 74.05 107.574 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -65.28 117.42 7.81 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.889 0.475 . . . . 70.41 109.908 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -160.22 168.19 25.94 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.33 0.652 . . . . 72.23 110.659 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -100.41 122.65 43.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.272 1.029 . . . . 64.22 109.895 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.9 mt -133.2 129.69 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.716 0.807 . . . . 74.14 109.812 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.405 ' HB3' HG23 ' A' ' 29' ' ' VAL . 26.3 tp -106.66 129.5 54.55 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 108.067 -1.086 . . . . 74.02 108.067 167.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.549 HG23 ' HE2' ' A' ' 67' ' ' MET . 48.6 mm -108.74 128.12 64.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 109.517 -0.549 . . . . 74.24 109.517 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.52 ' HG2' HG23 ' A' ' 15' ' ' ILE . 13.9 tmtt? -97.7 130.45 44.68 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 124.978 1.311 . . . . 74.25 108.207 177.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.532 ' HB3' HD12 ' A' ' 64' ' ' LEU . 46.8 t -161.5 149.8 15.5 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.317 -0.623 . . . . 75.3 109.317 172.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -115.73 10.26 15.38 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.936 0.894 . . . . 71.21 109.384 173.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -119.18 104.13 10.15 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.272 1.029 . . . . 74.44 109.408 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -58.89 -24.91 62.86 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.493 1.117 . . . . 72.34 112.224 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.524 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 16.0 mm100 -61.43 -46.05 91.75 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.824 1.25 . . . . 74.45 111.92 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.0 mt -64.91 -33.29 75.68 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 114.895 -1.048 . . . . 72.22 110.824 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 58' ' ' SER . 8.5 mp -70.87 -36.94 73.03 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.764 -0.653 . . . . 74.23 110.819 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.524 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 59.2 mtpt -57.95 -55.74 31.03 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.115 0.566 . . . . 73.34 110.457 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.81 -36.97 77.86 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 124.255 0.972 . . . . 75.33 111.278 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.684 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 46.6 ttm -62.32 -52.23 64.49 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.136 -0.938 . . . . 72.44 110.378 176.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.486 HD23 HD13 ' A' ' 71' ' ' ILE . 88.1 mt -68.66 -24.82 64.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.375 1.07 . . . . 75.31 112.215 -174.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -61.69 -42.28 98.71 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.178 0.513 . . . . 64.43 109.999 173.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.514 ' HB2' ' HE3' ' A' ' 42' ' ' MET . 72.7 mt -83.72 -27.0 29.27 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.749 0.82 . . . . 75.24 111.956 -177.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.508 HG21 HG21 ' A' ' 78' ' ' VAL . 81.0 mt -70.69 -29.93 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.106 0.562 . . . . 74.3 110.163 173.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.7 t -58.34 -25.42 61.93 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.473 0.709 . . . . 71.11 111.677 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -74.68 -34.21 62.62 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.554 0.742 . . . . 75.4 110.16 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 40.4 mt -79.43 -49.91 11.61 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.394 1.078 . . . . 73.11 111.646 -174.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.15 89.16 0.31 Allowed Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.048 -0.524 . . . . 64.54 113.122 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -161.02 173.7 14.84 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.638 0.775 . . . . 75.32 110.899 172.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -71.89 111.38 7.1 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 115.246 -0.888 . . . . 74.21 111.353 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 71' ' ' ILE . 63.6 t -112.25 124.66 69.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 107.522 -1.288 . . . . 74.0 107.522 166.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -101.33 107.27 18.58 Favored 'General case' 0 C--O 1.226 -0.169 0 N-CA-C 108.205 -1.035 . . . . 74.04 108.205 -177.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.433 HD22 HG23 ' A' ' 97' ' ' ILE . 22.7 tp -104.49 132.12 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.579 -0.526 . . . . 74.33 109.579 -177.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.44 HD23 ' HB1' ' A' ' 113' ' ' ALA . 43.0 tp -123.67 126.84 47.3 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.297 -0.865 . . . . 71.2 109.006 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.513 ' HB3' HD22 ' A' ' 90' ' ' LEU . 71.0 mt -111.37 142.26 43.84 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.202 1.001 . . . . 74.42 108.446 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -147.63 123.97 10.93 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.896 0.379 . . . . 72.32 111.089 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -178.03 155.75 0.99 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.669 1.588 . . . . 74.44 107.821 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -62.21 -39.03 91.38 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.573 0.749 . . . . 75.04 111.5 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.84 90.53 4.08 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 107.819 -1.178 . . . . 75.0 107.819 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.449 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 11.8 pt-20 -66.29 -22.77 66.3 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.926 -1.033 . . . . 75.0 111.289 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -76.31 -37.88 56.82 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 124.194 0.998 . . . . 74.11 110.972 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -49.5 77.22 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 108.179 -1.045 . . . . 74.44 108.179 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 82' ' ' LEU . 70.7 mt -69.52 -33.89 73.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.821 -1.536 . . . . 73.44 111.546 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.424 ' HG2' ' HD2' ' A' ' 95' ' ' ARG . 36.1 tt0 -61.48 -51.55 68.22 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 123.414 0.446 . . . . 72.13 109.869 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.441 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 12.0 mm-40 -54.2 -36.16 63.16 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.124 0.89 . . . . 75.0 111.756 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.445 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.2 t80 -66.98 -56.37 10.43 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.557 -0.747 . . . . 75.34 110.64 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' HG2' ' HB2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -75.21 -19.48 59.76 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.539 -0.755 . . . . 73.25 112.743 -167.624 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.424 ' HD2' ' HG2' ' A' ' 91' ' ' GLU . 63.7 mtp180 -61.55 -46.66 88.99 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.502 0.501 . . . . 74.44 109.953 175.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.441 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 1.1 mptm? -71.79 -39.85 69.63 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.692 0.797 . . . . 74.1 110.342 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.509 HG22 ' HB2' ' A' ' 102' ' ' TYR . 50.6 mm -64.64 -38.45 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.36 0.664 . . . . 71.31 110.922 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.74 -36.06 82.51 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.749 0.82 . . . . 75.21 109.572 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.8 m -70.79 -28.61 64.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.201 0.601 . . . . 62.3 111.169 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -74.03 -18.1 60.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.048 0.539 . . . . 72.21 110.684 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.26 42.01 2.29 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.426 0.454 . . . . 72.5 112.738 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.509 ' HB2' HG22 ' A' ' 97' ' ' ILE . 76.1 m-85 -117.71 138.48 51.98 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.976 0.51 . . . . 73.4 110.87 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -73.99 101.01 3.71 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 108.049 -1.093 . . . . 75.35 108.049 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.4 p -133.96 134.59 55.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-N 116.131 -0.486 . . . . 72.43 110.657 -171.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -129.07 149.62 50.81 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.546 0.738 . . . . 73.0 109.672 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.449 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.5 OUTLIER -116.55 126.23 53.01 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.89 1.276 . . . . 71.43 108.342 -179.641 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.13 175.47 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.723 0.809 . . . . 74.32 110.106 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.0 p -127.62 -34.8 2.18 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.586 0.754 . . . . 75.54 110.653 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.46 149.01 21.56 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.119 0.568 . . . . 72.44 110.366 -176.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.71 -48.04 67.67 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.071 0.948 . . . . 74.21 110.72 175.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.45 -41.06 84.26 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.179 -0.919 . . . . 72.21 111.259 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -66.22 -43.47 86.56 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.342 1.057 . . . . 74.01 110.713 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.44 ' HB1' HD23 ' A' ' 81' ' ' LEU . . . -58.33 -44.85 88.88 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.098 0.874 . . . . 62.31 111.822 -179.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.47 -34.36 77.6 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 124.099 0.874 . . . . 75.35 111.895 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.485 ' HZ2' ' HB3' ' A' ' 115' ' ' LYS . 7.9 mtpm? -62.61 -45.83 91.06 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.798 0.686 . . . . 74.43 109.699 174.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.9 mm -68.59 -32.84 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.357 0.663 . . . . 73.22 111.284 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 113' ' ' ALA . 69.2 t -60.47 -50.23 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.179 0.592 . . . . 75.4 109.673 173.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 82.7 mtt180 -61.66 -33.16 73.48 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.492 -0.776 . . . . 75.21 110.363 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.13 -52.45 59.07 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 123.787 0.68 . . . . 75.54 110.444 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.409 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 14.1 m-85 -53.57 -35.2 60.53 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.927 0.891 . . . . 70.1 112.082 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.433 ' SD ' HG13 ' A' ' 22' ' ' VAL . 89.2 mtp -76.45 -21.78 55.45 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.098 0.959 . . . . 71.4 111.651 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 22.7 mm-40 -72.79 -42.07 64.31 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 109.82 -0.437 . . . . 74.04 109.82 171.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.474 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 3.0 mptp? -64.62 -40.93 96.36 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 109.471 -0.566 . . . . 73.2 109.471 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.456 ' HA ' HD11 ' A' ' 127' ' ' LEU . . . -64.61 -37.44 87.57 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.854 0.862 . . . . 72.41 110.672 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.65 94.18 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.302 -0.863 . . . . 73.25 112.272 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.2 m -63.91 -27.58 69.25 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.422 0.689 . . . . 73.1 111.869 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 69.8 mt . . . . . 0 N--CA 1.481 1.079 0 C-N-CA 123.441 0.696 . . . . 70.44 110.281 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.331 -0.618 . . . . 72.54 109.331 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -148.56 153.02 37.8 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 109.407 -0.59 . . . . 75.01 109.407 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.464 HD13 ' HG2' ' A' ' 53' ' ' LYS . 75.4 mt -92.75 115.75 32.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 C-N-CA 123.715 0.806 . . . . 73.34 109.254 174.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.752 HD22 HD12 ' A' ' 45' ' ' LEU . 11.0 mp -112.96 133.64 54.83 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.262 -1.014 . . . . 73.23 108.262 166.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.428 HG12 ' HB2' ' A' ' 79' ' ' PHE . 37.3 mt -120.77 110.55 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 107.499 -1.297 . . . . 75.23 107.499 166.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.616 HD22 ' SD ' ' A' ' 67' ' ' MET . 88.6 mt -86.74 137.82 32.13 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.571 0.748 . . . . 72.24 109.011 178.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -122.88 116.99 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 108.006 -1.109 . . . . 74.44 108.006 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.413 ' HB3' HD21 ' A' ' 82' ' ' LEU . 27.3 t30 -127.79 101.0 6.17 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.667 -1.234 . . . . 74.5 107.667 171.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.2 t -130.97 146.23 52.3 Favored 'General case' 0 C--O 1.244 0.763 0 C-N-CA 123.914 0.886 . . . . 75.21 109.845 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -62.56 -43.84 97.82 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.505 0.722 . . . . 73.23 111.228 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -91.81 114.3 26.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.09 0.556 . . . . 72.41 110.348 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.37 -31.53 71.42 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.642 1.177 . . . . 74.42 112.057 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.71 -31.68 68.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.951 0.9 . . . . 74.22 112.034 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 18' ' ' ILE . 45.6 tp -66.97 -40.07 87.38 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.496 0.719 . . . . 74.45 110.619 175.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.539 HD12 ' HG3' ' A' ' 57' ' ' LYS . 34.0 mt -62.86 -41.34 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 122.728 0.411 . . . . 74.13 110.6 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HB3' ' HZ1' ' A' ' 16' ' ' LYS . 3.7 mmmp? -51.37 -36.3 42.62 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.882 0.873 . . . . 72.1 111.247 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -77.68 -44.12 29.04 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.22 1.008 . . . . 72.52 111.114 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.469 HG12 HG22 ' A' ' 117' ' ' VAL . 74.6 mt -62.79 -29.44 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.118 0.967 . . . . 75.13 111.064 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HG2' HG11 ' A' ' 29' ' ' VAL . 57.7 mtpt -61.13 -57.85 10.79 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.058 0.543 . . . . 73.34 109.931 174.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.73 -26.05 67.57 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.046 0.538 . . . . 75.02 111.371 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.88 -54.81 32.9 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.073 0.949 . . . . 71.14 110.083 175.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.428 HG11 HD12 ' A' ' 55' ' ' LEU . 23.2 m -76.45 -23.19 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 115.863 -0.608 . . . . 72.41 112.113 -175.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.74 -26.07 68.2 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.565 0.746 . . . . 73.33 111.722 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -60.13 -28.98 68.33 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.82 0.448 . . . . 63.14 111.447 174.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.96 18.86 20.22 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.504 0.722 . . . . 74.12 111.785 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.57 24.02 73.76 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 114.925 0.73 . . . . 74.21 114.925 169.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -77.45 142.16 39.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.99 0.424 . . . . 63.35 110.17 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -78.81 160.33 27.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.036 1.334 . . . . 74.41 108.313 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.528 HG11 ' HG2' ' A' ' 19' ' ' LYS . 23.7 t -136.55 138.97 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 118.546 0.612 . . . . 74.02 109.466 173.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -137.99 143.34 40.59 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.683 0.793 . . . . 73.1 110.359 173.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.89 116.22 28.54 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.327 1.051 . . . . 74.12 108.553 172.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.531 HG11 HD13 ' A' ' 63' ' ' LEU . 73.0 t -97.91 108.43 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.403 -1.332 . . . . 64.33 107.403 167.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -107.65 -14.94 14.7 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.626 0.77 . . . . 73.12 111.476 -169.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -153.7 165.22 36.67 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.354 0.662 . . . . 72.54 109.752 -171.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 t -66.13 -31.72 72.75 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.115 0.966 . . . . 73.53 111.424 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.9 -43.09 80.09 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 108.574 -0.899 . . . . 64.44 108.574 175.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -61.11 -34.68 75.34 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.575 0.547 . . . . 73.42 111.239 174.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.539 HD11 ' HB2' ' A' ' 67' ' ' MET . 36.6 tp -62.02 -54.74 37.29 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 124.096 0.872 . . . . 74.4 110.256 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -25.52 63.77 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.49 -0.323 . . . . 75.33 111.295 -176.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 40' ' ' LYS . 6.9 mmpt? -59.89 -57.84 11.12 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.509 0.324 . . . . 74.11 110.372 176.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.3 pp20? -76.47 -30.63 57.37 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.946 -0.57 . . . . 74.4 111.786 -176.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.73 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 50.1 mmm -64.05 -31.38 72.55 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 117.785 0.266 . . . . 71.12 111.472 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 mptp? -71.21 -29.22 64.87 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.572 0.349 . . . . 74.34 110.473 172.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -73.14 -34.69 66.23 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 110.013 -0.366 . . . . 74.41 110.013 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.752 HD12 HD22 ' A' ' 4' ' ' LEU . 35.0 mt -75.68 -28.42 58.65 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.033 0.933 . . . . 74.43 110.325 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.54 -50.06 8.63 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 123.226 0.611 . . . . 73.33 111.98 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -74.19 -45.88 45.58 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.075 0.465 . . . . 75.15 110.412 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -102.51 74.75 1.4 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.319 -0.993 . . . . 73.54 108.319 175.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.484 ' HD3' HD22 ' A' ' 74' ' ' LEU . 26.3 ttpp -89.52 16.21 8.06 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 121.974 0.892 . . . . 75.0 110.976 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -61.61 165.88 4.64 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.509 1.124 . . . . 72.23 110.817 172.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -71.89 128.66 36.44 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 110.058 -0.349 . . . . 72.33 110.058 -177.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -161.95 145.59 12.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.416 0.687 . . . . 72.22 109.524 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HG2' HD13 ' A' ' 3' ' ' ILE . 86.9 mttt -93.78 105.13 17.18 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.104 0.961 . . . . 72.4 108.48 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.4 mt -125.34 134.8 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.212 0.605 . . . . 72.23 109.94 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.428 HD12 HG11 ' A' ' 22' ' ' VAL . 13.5 tp -106.55 110.71 22.99 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 125.238 1.415 . . . . 73.52 107.545 173.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.691 HG23 ' HE1' ' A' ' 67' ' ' MET . 40.3 mm -93.54 125.13 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.325 0.583 . . . . 73.42 109.884 176.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.539 ' HG3' HD12 ' A' ' 15' ' ' ILE . 77.9 tttt -93.75 144.2 25.63 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.997 1.319 . . . . 71.44 110.21 175.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.492 ' HB3' HD13 ' A' ' 64' ' ' LEU . 31.3 t -167.46 174.15 8.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.611 1.165 . . . . 74.42 108.692 168.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -143.15 16.25 1.9 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.104 0.962 . . . . 61.44 109.322 173.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -128.08 99.75 5.6 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.382 1.073 . . . . 73.13 108.996 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -59.79 -14.33 14.27 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.905 1.282 . . . . 73.41 113.983 -176.888 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.485 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . 13.2 mm100 -62.53 -51.49 67.21 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.568 -0.53 . . . . 73.3 109.568 176.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.531 HD13 HG11 ' A' ' 32' ' ' VAL . 93.4 mt -55.53 -40.29 71.65 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.322 -1.308 . . . . 72.04 111.45 177.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 58' ' ' SER . 9.2 mp -66.28 -42.96 87.66 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.497 0.719 . . . . 63.43 111.327 -177.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 62' ' ' GLN . 58.5 mtmt -58.16 -55.12 39.03 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 109.893 -0.41 . . . . 75.32 109.893 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.57 -35.18 78.68 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 125.025 1.453 . . . . 74.5 111.795 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.73 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 52.2 ttm -58.64 -53.76 54.7 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.805 0.842 . . . . 72.04 110.132 174.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.493 HD23 HD11 ' A' ' 71' ' ' ILE . 65.3 mt -65.0 -29.35 70.27 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.305 1.003 . . . . 74.4 111.599 -175.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 10.7 mm-40 -64.77 -34.1 77.54 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.929 0.491 . . . . 73.21 110.946 176.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.533 ' HB2' ' HE1' ' A' ' 42' ' ' MET . 68.6 mt -78.9 -35.0 44.27 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.381 0.672 . . . . 74.24 110.164 176.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.493 HD11 HD23 ' A' ' 68' ' ' LEU . 76.9 mt -66.81 -21.32 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.115 0.966 . . . . 71.31 110.592 175.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -56.37 -37.51 70.18 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.392 0.677 . . . . 75.14 111.08 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.61 -34.15 53.49 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.28 0.632 . . . . 71.22 111.21 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.484 HD22 ' HD3' ' A' ' 49' ' ' LYS . 89.6 mt -75.1 -37.63 61.45 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.603 0.761 . . . . 74.13 111.664 -173.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.61 78.43 0.2 Allowed Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.367 -0.833 . . . . 44.13 113.689 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -152.56 161.03 43.14 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.214 0.606 . . . . 73.54 110.588 170.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 103' ' ' GLU . 61.8 tttp -83.17 129.31 35.01 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.346 0.658 . . . . 73.01 110.672 -175.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.13 144.26 25.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 124.502 1.121 . . . . 73.35 109.179 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.428 ' HB2' HG12 ' A' ' 5' ' ' ILE . 77.5 m-85 -115.98 109.51 17.65 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.33 1.052 . . . . 74.21 109.209 -177.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.7 tp -109.28 123.31 49.06 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.984 -0.448 . . . . 75.04 110.468 -175.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.0 tp -103.82 128.24 51.26 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 123.287 0.635 . . . . 73.1 109.468 170.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.521 ' HB3' HD21 ' A' ' 90' ' ' LEU . 73.0 mt -115.42 124.3 50.82 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 107.853 -1.166 . . . . 74.01 107.853 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.11 116.42 11.9 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 111.894 0.331 . . . . 70.43 111.894 -172.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -177.72 155.7 1.05 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.143 1.377 . . . . 75.01 109.377 173.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -59.26 -37.34 77.34 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.102 0.961 . . . . 64.51 111.393 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -77.12 88.31 3.6 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.905 -1.146 . . . . 74.14 107.905 170.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.65 -13.52 61.01 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.896 -1.047 . . . . 62.13 110.962 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -58.22 -59.8 4.76 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.133 0.973 . . . . 74.31 111.508 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.07 -43.25 86.89 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.737 0.648 . . . . 71.32 110.449 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 82' ' ' LEU . 51.4 mt -62.92 -46.8 86.1 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 124.601 1.188 . . . . 72.5 111.253 -176.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 40.8 tt0 -70.97 -44.51 65.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.048 0.539 . . . . 54.44 110.711 -174.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.54 -37.62 88.19 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.631 0.372 . . . . 60.35 110.659 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -63.16 -48.95 76.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.724 0.81 . . . . 72.31 110.828 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -68.04 -26.56 65.93 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.999 -0.546 . . . . 65.04 111.612 -170.691 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 91.3 mtt-85 -57.46 -39.79 77.1 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.424 0.69 . . . . 74.12 111.366 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.91 -41.53 67.78 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.273 0.629 . . . . 74.11 110.277 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.53 ' HB ' HG13 ' A' ' 104' ' ' VAL . 25.9 mm -69.3 -38.93 78.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 C-N-CA 123.79 0.836 . . . . 73.22 110.264 -174.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -74.03 -32.97 63.58 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.855 1.262 . . . . 73.44 110.859 -175.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.1 t -66.91 -25.45 66.38 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.504 -0.771 . . . . 55.53 110.986 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -86.55 -4.25 59.14 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.039 0.936 . . . . 74.22 111.916 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.91 -6.52 54.37 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-O 119.955 -0.359 . . . . 75.11 113.701 177.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.46 ' HB2' HG21 ' A' ' 97' ' ' ILE . 48.8 m-85 -74.18 130.47 39.83 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.531 -0.544 . . . . 75.02 109.531 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.425 ' HB2' ' NZ ' ' A' ' 77' ' ' LYS . 8.5 tp10 -77.88 101.98 7.06 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.136 0.574 . . . . 75.43 109.548 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.53 HG13 ' HB ' ' A' ' 97' ' ' ILE . 4.2 p -127.7 127.49 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 121.236 0.541 . . . . 73.14 111.077 -175.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -117.0 157.49 25.7 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.018 -0.992 . . . . 73.34 109.228 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.95 146.02 51.84 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.62 0.768 . . . . 75.03 109.056 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.5 m -145.95 172.05 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.258 1.023 . . . . 75.02 110.771 -174.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.6 p -118.94 -21.07 7.89 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.951 0.9 . . . . 74.01 112.209 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -121.33 159.51 25.93 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 122.662 0.385 . . . . 73.23 111.266 -170.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.02 -59.16 3.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.097 1.359 . . . . 71.24 111.827 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -22.03 61.37 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.5 0.32 . . . . 73.44 111.202 -174.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.37 -45.1 70.14 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.877 0.871 . . . . 74.31 109.868 170.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.1 -40.2 88.79 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.402 0.681 . . . . 74.32 111.234 178.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.89 -38.17 81.49 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.308 1.005 . . . . 75.22 111.685 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -60.71 -40.49 92.48 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.445 0.698 . . . . 63.4 110.466 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 32.4 mm -77.76 -29.17 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 CA-C-N 115.205 -0.907 . . . . 75.11 111.013 -175.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.469 HG22 HG12 ' A' ' 18' ' ' ILE . 86.5 t -59.44 -44.96 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 108.922 -0.77 . . . . 72.14 108.922 170.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.51 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 38.3 mtp180 -58.92 -45.74 89.63 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 124.465 1.103 . . . . 74.13 109.908 177.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.43 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 59.7 mm-40 -54.11 -53.75 48.97 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 123.92 0.762 . . . . 51.41 110.641 177.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -59.94 -36.66 77.54 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.318 0.647 . . . . 60.33 112.133 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 76.2 mtp -68.93 -34.58 75.61 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.49 0.716 . . . . 64.53 111.719 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 11.4 mm100 -75.25 -46.74 31.81 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.873 0.469 . . . . 74.12 110.316 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 14.3 mptt -66.91 -31.46 72.06 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.568 -0.742 . . . . 70.53 110.943 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.21 56.49 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.383 0.673 . . . . 75.43 110.808 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.85 -35.45 82.61 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.224 -0.351 . . . . 53.13 112.224 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.5 m -64.97 -24.36 67.49 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.4 1.08 . . . . 73.22 112.681 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 N--CA 1.481 1.12 0 C-N-CA 122.903 0.481 . . . . 75.53 111.271 -177.636 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.84 -0.429 . . . . 63.34 109.84 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -145.66 145.23 30.84 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.938 -1.134 . . . . 75.54 107.938 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.489 HG22 ' HB3' ' A' ' 124' ' ' ALA . 66.1 mt -119.26 108.58 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.815 -0.809 . . . . 72.01 108.815 177.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.602 HD13 HD22 ' A' ' 45' ' ' LEU . 10.3 mp -99.95 141.15 33.16 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.12 0.568 . . . . 71.45 109.82 174.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.42 ' HB ' HD11 ' A' ' 55' ' ' LEU . 56.3 mt -121.63 111.38 30.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 N-CA-C 106.177 -1.786 . . . . 64.55 106.177 162.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.481 HD22 ' HB ' ' A' ' 56' ' ' ILE . 83.4 mt -88.48 130.58 35.18 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 108.667 -0.864 . . . . 73.53 108.667 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.0 mm -119.26 115.11 46.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.386 -0.968 . . . . 74.11 108.386 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -124.91 102.59 7.61 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.428 -1.323 . . . . 75.04 107.428 172.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 10.2 t -129.8 144.97 51.56 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.679 -0.691 . . . . 74.14 109.829 176.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -65.16 -49.14 71.02 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 124.171 0.92 . . . . 74.35 110.424 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -80.83 101.19 9.23 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 109.38 -0.6 . . . . 74.43 109.38 176.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.98 -17.88 58.57 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.667 1.187 . . . . 73.24 111.697 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.38 -41.66 89.87 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.702 1.201 . . . . 75.31 111.11 173.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.27 -35.16 74.87 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.865 0.866 . . . . 74.11 111.606 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.553 HG23 ' HG3' ' A' ' 57' ' ' LYS . 76.0 mt -60.25 -40.99 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.494 0.718 . . . . 74.2 111.144 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -54.79 -39.73 68.73 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.334 0.588 . . . . 71.34 111.248 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 53.2 mtpt -73.55 -46.12 49.35 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 114.589 -1.187 . . . . 74.33 110.335 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.23 -36.26 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.207 1.003 . . . . 65.2 110.978 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 59.2 mtpt -60.7 -55.91 27.61 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 115.705 -0.679 . . . . 72.1 109.589 176.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -67.4 -21.16 65.6 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.653 -0.703 . . . . 73.22 112.328 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 16.2 mm-40 -65.48 -54.38 29.11 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.854 0.462 . . . . 71.12 110.633 168.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.565 HG13 HD13 ' A' ' 55' ' ' LEU . 28.5 m -76.67 -30.32 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 113.048 0.759 . . . . 73.44 113.048 -170.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.4 -21.34 66.66 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.349 0.66 . . . . 73.15 112.53 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -61.51 -36.34 80.25 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.854 0.462 . . . . 74.23 111.732 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -99.51 19.63 15.34 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.654 0.781 . . . . 72.54 111.904 -176.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.91 37.9 60.49 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.862 -0.608 . . . . 64.01 114.189 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.68 124.28 33.4 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 109.409 -0.589 . . . . 74.53 109.409 170.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -80.07 115.94 19.91 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.758 -0.83 . . . . 75.24 108.758 170.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.492 HG12 ' HG2' ' A' ' 19' ' ' LYS . 23.3 t -87.93 127.45 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 109.83 -0.433 . . . . 70.51 109.83 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.01 109.75 19.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.26 1.024 . . . . 72.2 108.492 -177.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -83.01 110.17 17.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.76 -0.83 . . . . 73.44 108.76 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.424 HG13 HD13 ' A' ' 63' ' ' LEU . 87.6 t -109.58 123.53 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.27 -1.011 . . . . 74.24 108.27 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.405 ' HA ' ' OD1' ' A' ' 59' ' ' ASN . 32.5 m-80 -108.75 -39.8 5.25 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.584 0.754 . . . . 73.32 110.989 -177.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -134.44 171.13 14.73 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.097 0.959 . . . . 74.32 109.523 -168.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.6 t -68.56 -23.52 64.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.275 0.63 . . . . 74.22 111.073 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.408 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 18.4 t70 -66.56 -50.95 61.44 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.618 0.767 . . . . 75.45 109.351 170.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 15.7 mm-40 -57.19 -35.54 69.73 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.158 0.911 . . . . 62.13 110.728 175.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 66' ' ' GLU . 51.2 tp -64.45 -57.9 7.96 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.442 -0.799 . . . . 73.0 111.37 -178.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -63.8 -33.46 75.73 Favored 'General case' 0 C--N 1.362 1.148 0 O-C-N 123.68 0.613 . . . . 75.4 110.962 -176.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -52.16 -51.6 57.0 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.779 0.831 . . . . 73.5 110.559 170.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 20.5 mm-40 -79.19 -17.2 55.33 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.289 -0.414 . . . . 73.34 111.727 -179.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.425 ' SD ' HD13 ' A' ' 45' ' ' LEU . 94.2 mmm -71.49 -19.82 62.15 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 117.848 0.295 . . . . 75.04 111.012 172.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.86 -43.2 90.77 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 109.658 -0.497 . . . . 72.55 109.658 163.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 31.7 mmmt -70.45 -41.0 73.4 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.677 0.791 . . . . 70.32 112.257 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.602 HD22 HD13 ' A' ' 4' ' ' LEU . 66.2 mt -82.37 -41.17 20.33 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.976 0.51 . . . . 74.24 111.225 -173.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.49 -41.14 10.99 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.85 0.685 . . . . 43.21 112.85 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -93.69 -3.45 52.33 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 112.304 0.483 . . . . 75.42 112.304 -176.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 86.3 mt-10 -121.86 108.31 13.3 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.971 -0.751 . . . . 75.24 108.971 171.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.38 -0.6 43.37 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.059 0.944 . . . . 72.43 110.346 178.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.94 140.68 56.54 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.539 0.524 . . . . 74.31 110.635 175.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -62.31 125.05 22.55 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.705 0.628 . . . . 73.31 111.771 -173.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -162.87 144.41 10.06 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 123.435 0.694 . . . . 70.13 109.923 177.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -99.5 105.03 16.89 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.595 -0.891 . . . . 70.42 108.595 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.3 mt -110.55 124.49 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.152 0.581 . . . . 65.12 109.911 -177.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.565 HD13 HG13 ' A' ' 22' ' ' VAL . 13.5 tp -84.73 105.35 15.45 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.651 -1.24 . . . . 73.35 107.651 169.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.546 HD11 HD23 ' A' ' 45' ' ' LEU . 16.4 mm -90.76 117.55 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 108.772 -0.825 . . . . 74.23 108.772 177.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.553 ' HG3' HG23 ' A' ' 15' ' ' ILE . 11.6 tmtt? -91.9 142.57 27.42 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.41 -0.959 . . . . 74.52 108.41 171.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.2 t -154.41 129.98 9.92 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 123.858 0.723 . . . . 75.21 109.488 168.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.405 ' OD1' ' HA ' ' A' ' 33' ' ' ASN . 2.8 p-10 -88.31 1.03 55.46 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.577 0.751 . . . . 72.54 111.052 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -127.59 128.99 46.5 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.195 0.598 . . . . 63.02 110.273 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -69.85 -22.71 63.25 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.524 1.13 . . . . 74.12 112.983 -176.547 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.45 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 28.8 mt-30 -70.96 -31.21 67.71 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.576 0.351 . . . . 75.34 110.693 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.424 HD13 HG13 ' A' ' 32' ' ' VAL . 44.2 mt -66.49 -34.95 79.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.532 -0.758 . . . . 71.15 110.475 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.51 -39.39 94.32 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.528 -0.76 . . . . 75.41 110.161 175.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 12.4 mmmm -66.83 -56.92 8.24 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 123.335 0.397 . . . . 73.24 111.773 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB2' HD21 ' A' ' 38' ' ' LEU . 35.5 mt-10 -53.81 -39.84 65.84 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 123.925 0.766 . . . . 74.53 110.5 -178.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.426 ' HB2' HD13 ' A' ' 38' ' ' LEU . 27.4 ttm -62.58 -57.33 11.48 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.828 -1.078 . . . . 74.34 110.548 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.499 HD21 HD11 ' A' ' 71' ' ' ILE . 64.8 mt -65.1 -28.66 69.6 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.035 0.934 . . . . 75.34 112.814 -173.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 43.1 mm-40 -66.52 -40.44 89.15 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.15 0.5 . . . . 71.31 109.943 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.0 mt -76.78 -28.58 55.7 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.537 -0.756 . . . . 71.13 110.86 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.499 HD11 HD21 ' A' ' 68' ' ' LEU . 80.2 mt -69.0 -32.63 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.368 0.667 . . . . 72.52 110.234 175.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -60.06 -31.5 70.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.968 0.507 . . . . 73.5 110.475 175.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.78 -40.74 61.0 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.685 0.794 . . . . 74.32 111.019 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 78.7 mt -68.66 -41.09 79.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.884 0.874 . . . . 75.34 112.222 -175.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.12 74.07 0.96 Allowed Glycine 0 C--N 1.343 0.938 0 CA-C-N 115.851 -0.613 . . . . 73.03 113.857 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.406 ' CE1' HD11 ' A' ' 4' ' ' LEU . 35.3 p90 -149.99 168.41 23.91 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.48 0.712 . . . . 73.44 110.367 168.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.429 ' HD2' HD11 ' A' ' 127' ' ' LEU . 2.9 tmtp? -87.09 131.17 34.22 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.494 0.717 . . . . 74.54 109.737 -174.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.425 HG22 HG23 ' A' ' 71' ' ' ILE . 81.5 t -126.96 140.81 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.94 0.896 . . . . 74.24 110.161 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -102.64 152.07 21.62 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.774 1.229 . . . . 74.24 108.282 170.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.5 tp -140.41 136.64 33.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.146 0.579 . . . . 75.23 109.776 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.528 HD12 HG22 ' A' ' 116' ' ' ILE . 37.8 tp -128.66 117.96 22.08 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.291 1.036 . . . . 71.13 108.858 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.7 mt -101.64 134.74 44.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.737 -1.208 . . . . 60.45 107.737 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -146.49 111.73 5.45 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.048 0.385 . . . . 70.03 110.604 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.417 ' HB3' HD13 ' A' ' 90' ' ' LEU . 13.8 t0 -162.53 150.58 14.22 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.124 -0.695 . . . . 65.35 109.124 175.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -55.92 -43.63 77.55 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.768 1.227 . . . . 74.41 110.366 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.71 107.17 15.14 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.558 -1.275 . . . . 71.54 107.558 170.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.06 -14.07 34.58 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.478 -0.783 . . . . 72.31 111.889 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.16 -52.25 66.14 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.999 0.919 . . . . 64.15 112.392 -168.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.67 -44.81 92.68 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.349 0.405 . . . . 62.1 110.417 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.417 HD13 ' HB3' ' A' ' 84' ' ' ASP . 80.4 mt -63.32 -28.82 70.27 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.07 -0.968 . . . . 72.35 111.282 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.14 -46.23 78.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.127 0.971 . . . . 73.03 110.498 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -69.25 -39.84 78.22 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.507 -0.769 . . . . 74.23 109.646 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.432 ' O ' HG12 ' A' ' 97' ' ' ILE . 34.1 t80 -59.34 -47.7 84.41 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 114.311 -1.313 . . . . 74.52 111.163 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -26.98 65.65 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.271 -0.422 . . . . 75.12 112.074 -177.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -66.97 -36.9 83.24 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.912 0.485 . . . . 75.52 110.211 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -64.8 -53.34 48.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.664 0.786 . . . . 74.11 110.305 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.458 HG21 ' HB2' ' A' ' 102' ' ' TYR . 32.5 mm -68.64 -35.53 70.44 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 CA-C-N 114.935 -1.029 . . . . 71.25 111.093 -171.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.17 -45.37 94.91 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.579 -0.737 . . . . 70.34 109.697 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -67.16 -27.38 67.24 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.533 -0.758 . . . . 75.02 111.031 -176.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -78.43 -6.25 54.74 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.528 0.731 . . . . 74.45 112.449 177.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.48 17.38 39.45 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 113.784 0.274 . . . . 54.25 113.784 173.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.458 ' HB2' HG21 ' A' ' 97' ' ' ILE . 68.7 m-85 -99.55 151.79 20.76 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.007 0.523 . . . . 73.45 109.853 174.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -79.8 128.17 33.11 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 108.487 -0.931 . . . . 65.01 108.487 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.9 p -141.14 134.92 31.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.317 0.579 . . . . 74.15 110.439 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -122.64 135.82 54.71 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.504 1.122 . . . . 75.54 108.112 172.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -117.4 115.33 24.99 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.63 -0.878 . . . . 72.21 108.63 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.2 m -123.58 -178.78 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 124.65 1.18 . . . . 70.54 110.06 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.2 p -128.64 -51.96 1.25 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.273 0.629 . . . . 62.11 110.06 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.94 154.07 40.7 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 112.872 0.693 . . . . 75.32 112.872 -171.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.8 -54.16 46.05 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.764 1.225 . . . . 72.01 110.437 176.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.14 -36.73 68.6 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.365 1.066 . . . . 74.44 111.39 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.51 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.0 tt0 -79.42 -33.95 42.15 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 114.258 -1.337 . . . . 75.12 110.346 -172.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.409 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -66.88 -49.07 66.82 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.707 0.403 . . . . 74.24 111.037 174.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.06 -36.54 79.88 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.665 0.786 . . . . 73.22 112.184 -176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -72.96 -26.45 61.37 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 110.42 -0.215 . . . . 73.32 110.42 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.528 HG22 HD12 ' A' ' 81' ' ' LEU . 49.3 mm -73.42 -41.45 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.549 0.339 . . . . 71.31 110.172 173.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 113' ' ' ALA . 74.5 t -56.74 -53.77 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.629 0.771 . . . . 72.55 110.975 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -62.45 -32.5 73.38 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.489 -0.778 . . . . 73.25 110.974 -176.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -74.77 -39.17 61.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.309 0.644 . . . . 74.54 111.577 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -59.33 -33.24 70.88 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.307 0.643 . . . . 75.43 111.057 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 71.3 mtp -68.02 -30.29 69.49 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.104 0.962 . . . . 73.42 111.384 176.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.34 -46.58 54.91 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.378 0.671 . . . . 73.02 110.448 176.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -69.31 -29.83 67.76 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.284 -0.416 . . . . 75.42 110.707 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.489 ' HB3' HG22 ' A' ' 3' ' ' ILE . . . -70.59 -35.51 73.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 122.998 0.519 . . . . 64.11 110.324 173.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.73 -34.56 90.22 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.655 -0.702 . . . . 42.25 112.477 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.1 m -64.87 -32.79 74.66 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.395 0.678 . . . . 64.45 110.518 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.429 HD11 ' HD2' ' A' ' 77' ' ' LYS . 97.6 mt . . . . . 0 N--CA 1.476 0.836 0 C-N-CA 123.258 0.623 . . . . 74.11 111.444 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 tpt . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 108.793 -0.818 . . . . 73.31 108.793 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -157.77 175.94 13.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.253 0.621 . . . . 75.3 110.287 176.413 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.464 HD11 ' HG2' ' A' ' 53' ' ' LYS . 74.2 mt -110.08 124.78 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.967 0.907 . . . . 75.24 109.343 -178.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -112.75 137.44 51.06 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.239 0.616 . . . . 75.34 109.674 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.478 ' HB ' HD12 ' A' ' 55' ' ' LEU . 30.6 mt -115.44 103.59 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 107.062 -1.459 . . . . 71.4 107.062 162.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.435 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -85.84 129.59 34.79 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.529 1.132 . . . . 72.35 108.993 -178.16 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.6 mm -123.63 120.42 59.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 C-N-CA 124.136 0.975 . . . . 74.32 109.099 -178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.482 ' HB2' HD22 ' A' ' 64' ' ' LEU . 24.9 t-20 -122.89 103.35 8.56 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.433 -1.321 . . . . 73.33 107.433 171.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.486 ' HB ' HG12 ' A' ' 15' ' ' ILE . 89.4 m -127.93 128.8 45.75 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.517 -1.22 . . . . 72.23 108.368 178.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -71.75 -28.76 63.86 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 123.441 0.463 . . . . 74.32 110.37 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -98.02 96.23 8.01 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.04 -1.096 . . . . 70.24 108.04 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -60.78 -26.41 67.25 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.285 1.034 . . . . 74.34 113.027 -170.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -57.06 -39.04 74.13 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.182 0.593 . . . . 74.51 111.559 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -71.4 -33.26 69.32 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.715 0.806 . . . . 71.21 110.859 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.492 HG22 ' HG3' ' A' ' 57' ' ' LYS . 49.0 mt -59.45 -46.53 92.7 Favored 'Isoleucine or valine' 0 C--N 1.365 1.271 0 N-CA-C 109.639 -0.504 . . . . 75.25 109.639 174.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 51.8 mtpt -56.39 -39.16 72.54 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 123.973 0.795 . . . . 63.44 111.081 -177.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -65.41 -44.08 88.53 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.514 0.726 . . . . 72.54 111.006 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.76 -37.37 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 C-N-CA 124.153 0.981 . . . . 72.41 111.265 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.54 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 59.8 mtpt -63.06 -40.35 97.44 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.548 0.739 . . . . 72.55 110.225 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 33.5 mmtp -66.45 -46.41 76.5 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 115.755 -0.657 . . . . 74.21 110.025 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -49.36 -53.22 23.44 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.359 1.064 . . . . 71.04 111.796 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.669 HG11 HD11 ' A' ' 55' ' ' LEU . 32.8 m -71.35 -35.05 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 115.122 -0.944 . . . . 73.4 111.593 -176.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -70.98 -19.51 62.53 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.568 0.581 . . . . 75.11 112.568 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -65.15 -26.08 68.02 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 118.072 0.396 . . . . 73.43 110.626 168.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -111.02 20.82 17.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.554 0.741 . . . . 71.43 110.954 174.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.31 31.26 71.47 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 115.811 1.085 . . . . 51.1 115.811 167.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -78.1 139.94 39.05 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.739 0.769 . . . . 73.4 109.829 172.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 54' ' ' ILE . 6.5 tp-100 -81.15 118.5 22.6 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.829 0.852 . . . . 64.4 108.774 175.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -97.82 133.1 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 121.869 -0.519 . . . . 74.54 109.927 -176.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 ttm-85 -134.14 114.2 12.87 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.386 1.074 . . . . 74.24 108.565 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.53 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 1.4 m-20 -97.41 139.9 32.66 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.945 0.898 . . . . 75.03 110.593 -170.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.2 t -128.23 113.54 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 107.885 -1.154 . . . . 74.32 107.885 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -102.41 -20.91 14.37 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.295 0.638 . . . . 74.41 110.115 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -146.13 160.36 42.04 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.922 0.489 . . . . 71.14 111.751 -171.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 m -56.76 -33.44 66.59 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.513 1.525 . . . . 62.24 113.185 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.475 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 23.7 t70 -60.04 -51.1 71.09 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.874 0.87 . . . . 63.3 109.97 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 50.0 mt-10 -65.94 -33.15 75.15 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.137 -0.938 . . . . 73.22 110.539 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' ' 63' ' ' LEU . 50.5 tp -55.06 -59.15 5.15 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.079 0.552 . . . . 75.11 110.839 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -33.47 75.88 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.853 0.721 . . . . 75.23 111.407 -176.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 9.9 mtmp? -61.21 -52.68 63.76 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.295 0.372 . . . . 75.55 111.53 174.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 4.2 mm-40 -72.25 -27.88 62.78 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.809 -0.178 . . . . 75.43 110.628 -174.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.546 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 90.0 mmm -67.74 -34.78 77.51 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.655 0.382 . . . . 71.32 110.864 175.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -42.44 99.44 Favored 'General case' 0 C--O 1.209 -1.075 0 N-CA-C 109.516 -0.55 . . . . 73.2 109.516 170.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HA ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -59.77 -38.99 83.37 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.597 0.359 . . . . 74.43 111.508 178.238 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 80.2 mt -74.74 -26.86 60.08 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.557 0.743 . . . . 75.11 111.651 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.99 -38.08 15.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.762 0.825 . . . . 74.33 112.785 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -77.54 -56.97 4.08 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.791 0.836 . . . . 75.2 109.469 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -74.72 125.59 29.06 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 108.254 -1.017 . . . . 72.34 108.254 176.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -104.05 -1.02 28.04 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.556 0.742 . . . . 74.32 110.035 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -59.23 139.62 56.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.356 1.462 . . . . 74.01 112.474 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -77.32 122.3 24.93 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.758 0.823 . . . . 72.23 109.747 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 10.9 tp10 -160.35 137.53 9.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.583 0.753 . . . . 74.5 109.549 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HG2' HD11 ' A' ' 3' ' ' ILE . 34.0 mtmm -88.56 94.96 10.05 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.828 -0.804 . . . . 74.13 108.828 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 28' ' ' GLN . 45.0 mt -103.33 122.55 55.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 115.314 -0.857 . . . . 74.03 110.09 -176.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.669 HD11 HG11 ' A' ' 22' ' ' VAL . 10.4 tp -79.72 109.23 13.93 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 107.723 -1.214 . . . . 72.54 107.723 169.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.8 mm -90.0 114.38 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 108.614 -0.884 . . . . 75.54 108.614 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 31' ' ' ASP . 1.4 tmtp? -91.17 135.9 33.46 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.648 -1.241 . . . . 72.32 107.648 169.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.3 t -150.33 117.12 5.85 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.291 -1.003 . . . . 60.34 108.291 172.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -70.99 -43.5 67.87 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.854 0.862 . . . . 71.24 111.158 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -95.86 126.99 41.5 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.12 -0.491 . . . . 75.31 110.849 -171.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -59.58 -28.62 67.31 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.842 1.657 . . . . 75.11 112.9 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -57.45 -47.51 81.63 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.661 0.785 . . . . 74.12 109.832 176.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.437 ' HB3' HD11 ' A' ' 38' ' ' LEU . 49.7 mt -60.26 -36.61 78.18 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 113.813 -1.539 . . . . 73.22 110.988 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.482 HD22 ' HB2' ' A' ' 8' ' ' ASN . 7.9 mp -66.72 -46.2 76.26 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.902 0.751 . . . . 70.4 111.798 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -56.58 -53.77 53.66 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.905 0.753 . . . . 74.42 109.965 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.79 -40.27 87.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.47 1.108 . . . . 75.31 111.385 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.546 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 38.5 ttm -61.53 -52.47 64.34 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.483 1.113 . . . . 75.22 110.123 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.545 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 44.9 mt -70.64 -29.56 65.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.287 1.035 . . . . 65.34 112.069 -172.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.91 -33.71 76.67 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.267 0.627 . . . . 74.4 110.969 173.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.433 ' HB2' ' HE1' ' A' ' 42' ' ' MET . 77.9 mt -82.56 -31.75 28.91 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.515 0.726 . . . . 64.11 110.834 176.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.545 ' HB ' ' HA ' ' A' ' 68' ' ' LEU . 39.9 mt -65.47 -26.01 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.421 1.088 . . . . 74.51 110.309 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 t -61.5 -27.0 68.28 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.308 0.643 . . . . 74.43 111.795 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.487 ' HZ3' ' HB3' ' A' ' 73' ' ' LYS . 4.6 mmmp? -83.25 -37.21 23.83 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.258 0.623 . . . . 73.33 110.671 172.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.79 -33.57 75.07 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.413 0.685 . . . . 75.45 112.178 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.79 64.95 3.64 Favored Glycine 0 C--N 1.349 1.261 0 N-CA-C 114.339 0.496 . . . . 51.24 114.339 173.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.67 170.88 14.94 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.854 0.461 . . . . 72.13 110.907 175.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.455 ' HG2' HD13 ' A' ' 127' ' ' LEU . 54.0 tptt -76.45 127.05 32.09 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.656 -0.702 . . . . 73.3 110.597 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.425 HG12 HD22 ' A' ' 68' ' ' LEU . 58.0 t -122.29 133.08 69.64 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 123.848 0.859 . . . . 74.0 109.076 173.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.52 107.42 17.06 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 107.592 -1.262 . . . . 71.21 107.592 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 6' ' ' LEU . 22.8 tp -107.41 130.94 54.75 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.348 0.522 . . . . 74.52 111.062 -173.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.579 HD12 HG23 ' A' ' 116' ' ' ILE . 32.2 tp -119.29 134.31 55.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.001 0.92 . . . . 73.1 109.507 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.506 ' HB3' HD21 ' A' ' 90' ' ' LEU . 74.2 mt -119.18 94.03 4.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.299 1.04 . . . . 71.22 109.038 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.98 110.97 22.83 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.967 0.507 . . . . 73.42 111.94 -175.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.438 ' HB3' HD13 ' A' ' 90' ' ' LEU . 24.1 t70 -165.55 156.74 14.06 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.467 0.707 . . . . 74.33 110.637 173.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.446 ' HA ' HG23 ' A' ' 108' ' ' THR . 97.3 mt-30 -58.12 -41.23 83.18 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.007 1.323 . . . . 73.3 111.763 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.48 101.61 7.42 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 108.415 -0.957 . . . . 73.2 108.415 169.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -83.68 -15.98 46.75 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.031 -0.986 . . . . 75.5 111.294 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -62.76 -57.52 10.63 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.419 1.088 . . . . 75.51 112.504 -168.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.2 -39.63 86.35 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.133 0.573 . . . . 70.52 111.043 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 82' ' ' LEU . 97.1 mt -65.14 -30.79 71.75 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.562 -0.744 . . . . 75.15 111.376 178.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.99 -37.29 84.29 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.886 0.875 . . . . 74.12 110.274 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -77.29 -44.51 29.43 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.867 -1.061 . . . . 74.41 109.955 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.47 -48.41 65.91 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.717 1.207 . . . . 72.32 111.185 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -61.72 -31.41 71.56 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.859 0.724 . . . . 74.21 112.004 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.33 -35.24 79.01 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.524 0.73 . . . . 74.21 111.754 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -65.03 -53.24 49.1 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 123.991 0.807 . . . . 75.05 108.948 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.574 HG21 ' HB2' ' A' ' 102' ' ' TYR . 24.1 mm -65.11 -37.65 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 115.259 -0.882 . . . . 72.43 111.031 -172.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.44 -35.75 71.02 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.416 -0.811 . . . . 74.51 110.742 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -73.3 -26.66 61.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.3 0.64 . . . . 71.22 110.637 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -75.99 -10.41 59.4 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.641 0.776 . . . . 75.23 111.204 174.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.14 43.29 3.3 Favored Glycine 0 C--N 1.355 1.608 0 O-C-N 123.347 0.404 . . . . 73.11 113.029 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.574 ' HB2' HG21 ' A' ' 97' ' ' ILE . 84.9 m-85 -125.21 155.27 40.29 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.113 0.565 . . . . 73.44 109.86 175.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -89.37 110.74 21.51 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.375 -0.972 . . . . 74.11 108.375 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.473 HG13 ' HB ' ' A' ' 97' ' ' ILE . 2.6 p -138.04 125.39 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 123.207 0.603 . . . . 70.21 111.272 -175.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -109.81 158.56 18.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.465 1.106 . . . . 64.14 109.442 172.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.489 ' HZ1' ' HB3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -129.27 127.84 42.0 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.24 1.016 . . . . 74.34 108.404 179.01 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.9 m -132.12 178.73 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.709 0.804 . . . . 74.41 110.946 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.446 HG23 ' HA ' ' A' ' 85' ' ' GLN . 85.5 m -144.75 -30.03 0.45 Allowed 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 114.269 -1.332 . . . . 72.44 110.487 -174.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -94.74 157.38 15.97 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 124.218 1.007 . . . . 74.22 110.815 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.06 -59.47 3.01 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.195 1.398 . . . . 73.43 111.906 -174.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.04 -26.09 62.94 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.927 0.394 . . . . 71.33 110.122 -176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.51 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -66.21 -36.14 82.28 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 124.108 0.963 . . . . 74.43 110.127 174.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -66.85 -43.77 82.77 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.088 0.155 . . . . 73.41 111.354 172.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -39.18 92.54 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.774 0.829 . . . . 74.04 111.907 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -69.82 -36.66 75.82 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.378 0.271 . . . . 75.43 110.761 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.579 HG23 HD12 ' A' ' 81' ' ' LEU . 44.4 mm -62.67 -42.1 94.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 123.421 0.688 . . . . 74.24 111.04 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 99.7 t -60.26 -45.33 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 123.958 0.786 . . . . 72.35 110.437 177.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.91 -38.27 90.46 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.272 0.629 . . . . 74.52 111.233 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.56 -44.49 82.18 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.823 0.702 . . . . 74.33 110.569 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -54.98 -41.43 71.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.021 0.928 . . . . 65.13 111.309 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 75.8 mtp -65.33 -29.18 69.9 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.079 -0.964 . . . . 75.41 111.545 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -66.11 -45.82 79.79 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.642 0.377 . . . . 62.23 110.542 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -28.1 64.96 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.56 0.344 . . . . 75.04 110.554 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.52 78.92 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.347 0.659 . . . . 73.31 110.403 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.73 -24.78 76.14 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-N 115.286 -0.87 . . . . 72.03 112.424 175.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.3 t -71.36 -22.58 61.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.782 0.833 . . . . 72.43 110.776 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.455 HD13 ' HG2' ' A' ' 77' ' ' LYS . 54.9 mt . . . . . 0 N--CA 1.475 0.791 0 C-N-CA 123.566 0.747 . . . . 74.44 110.304 175.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 121.494 0.664 . . . . 63.15 109.797 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.641 ' HZ3' ' HB2' ' A' ' 52' ' ' GLU . 28.8 tptt -90.25 109.39 20.48 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 107.915 -1.142 . . . . 73.02 107.915 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.449 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 70.6 mt -94.55 105.07 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 109.333 -0.617 . . . . 75.41 109.333 -178.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mp -101.99 136.33 42.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.412 0.685 . . . . 75.25 109.425 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 59.2 mt -114.69 111.26 35.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 107.266 -1.383 . . . . 71.22 107.266 166.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.485 ' HB3' HD23 ' A' ' 64' ' ' LEU . 65.6 mt -89.98 123.78 34.18 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.298 -0.63 . . . . 74.05 109.298 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.429 HG13 HG23 ' A' ' 18' ' ' ILE . 47.9 mm -115.37 115.17 48.55 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 C-N-CA 123.544 0.738 . . . . 75.03 109.295 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -117.09 101.66 8.67 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.922 -1.14 . . . . 74.24 107.922 168.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.4 t -132.23 136.61 47.12 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.054 0.454 . . . . 70.43 110.341 168.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -71.26 -19.02 62.4 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 114.871 -1.059 . . . . 72.41 110.319 175.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -89.85 106.83 18.73 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.524 1.13 . . . . 75.33 109.906 -175.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.08 -34.71 78.66 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.385 0.674 . . . . 72.23 111.831 -178.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 41.9 mt-10 -65.35 -36.04 82.82 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.182 0.593 . . . . 74.03 110.8 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 113' ' ' ALA . 26.6 tp -71.63 -37.75 70.86 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.05 -0.523 . . . . 75.01 110.497 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.92 -48.95 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.018 0.527 . . . . 72.54 109.896 173.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 28.4 mtpp -53.36 -45.25 69.11 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.391 1.076 . . . . 75.44 111.861 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.54 ' HE2' HD12 ' A' ' 114' ' ' LEU . 58.0 mtpt -70.42 -36.59 74.09 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.893 -0.594 . . . . 70.03 111.684 -176.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.429 HG23 HG13 ' A' ' 7' ' ' ILE . 88.7 mt -69.55 -31.52 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 123.114 0.566 . . . . 73.42 110.584 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 2.1 mptm? -58.96 -52.96 63.52 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.433 -0.58 . . . . 75.32 109.433 169.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -56.72 -36.72 70.03 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.908 0.755 . . . . 74.05 111.607 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.66 -51.83 67.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.161 0.585 . . . . 72.52 111.58 173.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.57 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 9.2 m -75.36 -20.16 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 112.403 0.52 . . . . 71.42 112.403 -175.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 20.0 mm-40 -67.74 -42.69 81.45 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.125 0.57 . . . . 75.51 109.995 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -61.29 -27.59 68.58 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 114.776 -1.102 . . . . 74.45 111.457 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -96.56 -14.49 22.21 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.867 0.867 . . . . 64.43 112.185 -176.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.97 29.65 33.85 Favored Glycine 0 C--N 1.346 1.103 0 N-CA-C 114.2 0.44 . . . . 65.32 114.2 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.57 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 1.9 m-85 -81.36 150.72 28.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.172 0.589 . . . . 74.43 109.821 171.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.75 157.91 25.67 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.231 -1.026 . . . . 64.35 108.231 170.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.4 t -130.97 111.1 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 122.91 0.484 . . . . 64.13 109.789 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.498 ' HG2' ' HG3' ' A' ' 41' ' ' GLU . 14.5 tpt180 -104.7 120.8 42.19 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.286 -0.635 . . . . 73.34 109.286 169.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.99 120.61 31.34 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.794 0.838 . . . . 74.42 109.149 171.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.466 HG12 ' HB2' ' A' ' 37' ' ' GLU . 98.4 t -109.82 130.35 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.414 1.085 . . . . 71.42 108.593 177.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -109.46 -52.37 2.78 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.753 0.821 . . . . 74.13 108.787 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -111.08 160.35 16.96 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 114.789 -1.096 . . . . 72.34 111.334 -171.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.7 m -58.99 -26.83 64.84 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.216 1.406 . . . . 73.32 112.453 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.431 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 4.5 t70 -56.76 -56.3 23.2 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.8 0.84 . . . . 73.0 110.874 172.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 34.0 mt-10 -60.2 -36.59 78.01 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.794 -0.639 . . . . 75.44 110.897 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.8 tp -55.32 -61.49 2.3 Favored 'General case' 0 C--O 1.246 0.911 0 O-C-N 124.172 0.92 . . . . 75.11 111.181 176.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.481 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.85 -32.02 73.52 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 123.485 0.491 . . . . 73.45 112.009 -174.425 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 8.9 mtmp? -57.59 -50.65 72.42 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.478 0.311 . . . . 74.11 110.76 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG3' ' HG2' ' A' ' 30' ' ' ARG . 14.3 mm-40 -66.62 -37.42 84.83 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.112 0.882 . . . . 73.31 110.251 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 mmt -61.17 -40.74 95.02 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.142 0.577 . . . . 75.43 111.916 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 5.5 mptp? -62.41 -46.28 89.32 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 109.548 -0.538 . . . . 74.32 109.548 173.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' HA ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -61.75 -35.73 78.94 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.15 0.58 . . . . 74.24 111.876 -178.291 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 89.8 mt -73.84 -33.92 64.31 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.474 0.31 . . . . 74.34 110.297 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.54 -42.45 67.88 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.861 0.464 . . . . 73.14 111.948 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -80.58 -52.36 7.68 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.811 0.844 . . . . 73.1 111.756 -172.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -75.91 170.2 16.69 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.334 0.654 . . . . 72.31 111.427 -174.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -64.39 115.08 4.75 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.276 1.03 . . . . 73.44 110.008 -171.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -82.01 27.38 0.47 Allowed 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 124.206 1.002 . . . . 74.02 113.101 -162.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -115.22 112.27 22.23 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.487 -0.758 . . . . 74.32 109.662 160.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.641 ' HB2' ' HZ3' ' A' ' 2' ' ' LYS . 7.7 mm-40 -172.46 153.77 2.99 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.197 1.399 . . . . 74.44 109.302 166.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 37.1 mtmm -103.77 110.13 22.11 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.3 -0.864 . . . . 74.5 109.132 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 55.7 mt -127.96 126.75 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.681 0.792 . . . . 75.1 110.1 -174.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.517 HD11 HG11 ' A' ' 22' ' ' VAL . 19.8 tp -79.15 124.81 28.68 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.097 0.959 . . . . 74.1 108.796 166.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.4 mm -109.57 115.16 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 108.483 -0.932 . . . . 70.24 108.483 170.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -90.76 140.8 29.44 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.053 -1.091 . . . . 74.41 108.053 171.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.597 ' HB3' HD13 ' A' ' 64' ' ' LEU . 29.6 t -164.58 117.93 1.33 Allowed 'General case' 0 C--O 1.241 0.612 0 N-CA-C 108.235 -1.024 . . . . 75.04 108.235 168.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -76.18 -11.69 59.97 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.643 0.777 . . . . 64.13 111.781 -177.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -97.15 114.7 26.42 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 108.774 -0.824 . . . . 71.02 108.774 170.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.538 ' HA ' HD11 ' A' ' 64' ' ' LEU . 4.3 pttp -76.94 -20.81 55.71 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.531 0.732 . . . . 74.11 112.826 -173.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -63.6 -40.24 96.42 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.316 0.507 . . . . 74.05 109.633 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.5 mt -55.75 -34.29 65.07 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 124.153 0.908 . . . . 75.34 111.897 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.597 HD13 ' HB3' ' A' ' 58' ' ' SER . 7.3 mp -74.81 -42.09 58.71 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.189 0.596 . . . . 73.31 111.314 -177.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -67.72 -43.51 79.85 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 122.558 0.343 . . . . 75.2 110.103 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.12 -37.75 83.91 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 114.947 -1.024 . . . . 72.23 110.56 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.425 ' SD ' HD22 ' A' ' 6' ' ' LEU . 33.3 ttm -62.21 -44.9 95.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.86 0.864 . . . . 72.52 110.011 177.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.99 -28.33 69.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.962 0.905 . . . . 74.3 111.725 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.45 -24.39 60.22 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.476 0.71 . . . . 73.35 111.091 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.8 mt -84.91 -35.02 22.4 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.255 0.622 . . . . 71.15 110.256 172.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.526 HD12 HG22 ' A' ' 78' ' ' VAL . 84.5 mt -71.14 -29.21 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 124.913 1.285 . . . . 75.3 111.392 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.9 p -59.69 -30.48 68.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.055 0.542 . . . . 72.53 111.101 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -82.01 -32.09 30.7 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.527 0.731 . . . . 73.13 110.798 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.8 mt -75.27 -47.6 27.25 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.51 0.724 . . . . 73.42 111.12 -177.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.79 71.77 1.23 Allowed Glycine 0 C--N 1.342 0.886 0 CA-C-N 115.907 -0.588 . . . . 61.13 113.606 173.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -152.95 166.99 30.65 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.45 0.537 . . . . 73.05 112.45 172.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' ' 77' ' ' LYS . 11.3 mmpt? -82.29 130.12 35.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.586 1.154 . . . . 75.23 111.066 -175.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.526 HG22 HD12 ' A' ' 71' ' ' ILE . 48.6 t -131.34 134.49 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.823 0.849 . . . . 73.22 109.698 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -114.66 109.43 18.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.32 1.048 . . . . 74.1 108.867 -175.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.7 tp -99.15 139.67 34.46 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.625 0.77 . . . . 74.41 111.287 -174.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.514 HD11 HG22 ' A' ' 116' ' ' ILE . 45.3 tp -132.61 126.19 32.16 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.697 1.199 . . . . 75.34 108.994 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.565 ' HB3' HD21 ' A' ' 90' ' ' LEU . 91.9 mt -114.97 130.33 56.91 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.958 1.303 . . . . 72.04 108.702 -178.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.526 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -148.19 111.74 5.01 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.615 0.643 . . . . 75.24 111.475 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.491 ' HB3' HD11 ' A' ' 90' ' ' LEU . 11.6 t0 -164.56 153.93 13.45 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.012 0.925 . . . . 62.32 108.924 -178.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -59.69 -36.92 77.47 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.197 0.999 . . . . 73.12 110.878 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -82.5 81.66 8.23 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.956 0.884 . . . . 74.03 108.776 175.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.61 -14.18 59.71 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.569 -1.196 . . . . 75.51 111.622 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -65.21 -55.62 17.48 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.286 1.035 . . . . 61.21 111.214 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -70.62 -31.51 68.5 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.202 -0.454 . . . . 74.55 110.121 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.565 HD21 ' HB3' ' A' ' 82' ' ' LEU . 59.1 mt -60.03 -42.19 93.88 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.374 0.421 . . . . 73.34 111.143 171.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -66.63 -43.12 85.57 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.09 0.556 . . . . 71.11 110.187 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.514 ' HA ' ' HD3' ' A' ' 95' ' ' ARG . 0.4 OUTLIER -68.34 -35.87 78.41 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.857 -0.61 . . . . 74.32 110.134 179.762 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -68.52 -46.71 68.86 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.309 -0.86 . . . . 74.14 111.302 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.454 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.63 -26.04 67.64 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.742 0.417 . . . . 74.53 111.789 -177.05 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.514 ' HD3' ' HA ' ' A' ' 92' ' ' GLU . 41.7 mtp85 -60.5 -39.24 87.03 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.718 0.807 . . . . 74.21 111.33 173.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.56 -27.78 60.65 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.49 0.716 . . . . 62.11 110.905 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.6 mm -74.52 -34.73 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-O 121.311 0.576 . . . . 75.53 109.692 176.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.91 -35.42 81.1 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.982 -1.008 . . . . 64.42 110.253 171.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -70.76 -31.56 68.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.462 0.705 . . . . 64.15 110.767 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -76.32 -19.71 57.97 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.38 0.672 . . . . 73.52 110.479 172.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.86 40.66 16.68 Favored Glycine 0 C--N 1.348 1.237 0 CA-C-N 116.103 -0.499 . . . . 64.42 113.557 173.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.72 157.09 18.86 Favored 'General case' 0 C--O 1.246 0.882 0 C-N-CA 123.429 0.692 . . . . 75.43 109.594 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.51 123.33 19.36 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 108.599 -0.889 . . . . 75.54 108.599 171.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.43 137.08 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.348 0.659 . . . . 75.52 110.318 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -131.34 130.64 42.94 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.524 0.73 . . . . 73.3 110.146 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.504 ' HZ1' ' HB3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -102.41 117.82 35.55 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.119 -1.437 . . . . 75.34 107.119 173.16 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.58 158.32 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.127 0.971 . . . . 63.43 109.671 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.8 p -134.33 0.78 3.11 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.297 0.639 . . . . 63.14 111.436 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -117.35 147.02 43.0 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 108.898 -0.778 . . . . 62.11 108.898 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.05 -39.64 79.02 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.396 0.435 . . . . 73.51 110.663 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.41 -37.5 87.54 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.134 0.574 . . . . 73.44 110.541 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.531 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -72.33 -32.27 66.37 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.098 -0.955 . . . . 73.31 109.775 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.412 ' HB3' HD11 ' A' ' 14' ' ' LEU . . . -67.88 -44.16 77.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.58 0.352 . . . . 73.15 111.33 173.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.54 HD12 ' HE2' ' A' ' 17' ' ' LYS . 95.1 mt -60.24 -45.21 94.04 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.684 0.615 . . . . 75.21 111.754 -178.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -63.29 -35.71 81.28 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 123.442 0.464 . . . . 72.52 110.38 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 112' ' ' GLU . 47.8 mm -66.94 -40.02 84.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 123.297 0.639 . . . . 74.31 110.859 177.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 121' ' ' MET . 93.2 t -62.72 -39.62 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.034 0.534 . . . . 73.43 110.262 176.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 21.1 mtp180 -64.46 -39.96 94.8 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.791 0.837 . . . . 72.32 111.0 178.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.495 ' HB3' ' HZ1' ' A' ' 123' ' ' LYS . 41.6 mt-10 -71.42 -35.4 70.97 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.407 -0.815 . . . . 75.1 111.032 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -61.42 -28.61 69.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.908 0.883 . . . . 75.43 111.088 175.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 25.3 mmt -71.25 -33.17 69.57 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.137 0.575 . . . . 74.43 110.939 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.57 -42.71 58.26 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 109.327 -0.62 . . . . 75.02 109.327 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.495 ' HZ1' ' HB3' ' A' ' 119' ' ' GLU . 57.4 mttp -64.85 -40.19 94.76 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.45 -1.25 . . . . 70.22 110.673 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.442 ' HB2' HG22 ' A' ' 3' ' ' ILE . . . -69.22 -37.65 78.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.703 0.801 . . . . 73.44 110.452 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -68.0 -25.68 74.26 Favored Glycine 0 C--N 1.351 1.413 0 CA-C-N 115.427 -0.806 . . . . 44.32 112.955 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.5 m -65.02 -32.93 74.89 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.566 0.747 . . . . 63.13 111.017 176.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 37.8 mt . . . . . 0 N--CA 1.477 0.899 0 C-N-CA 124.265 1.026 . . . . 74.43 111.896 -173.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.519 ' HE3' ' HB2' ' A' ' 77' ' ' LYS . 13.6 tpt . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.902 0.382 . . . . 75.54 110.071 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 27.8 mtpp -131.06 151.76 51.09 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.408 -1.33 . . . . 74.03 107.408 172.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.473 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 65.5 mt -111.35 104.07 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 108.093 -1.077 . . . . 74.34 108.093 174.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.484 HD23 HD11 ' A' ' 45' ' ' LEU . 10.6 mp -113.8 123.48 49.92 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 109.376 -0.602 . . . . 73.24 109.376 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.9 mt -99.6 109.74 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 107.935 -1.135 . . . . 75.02 107.935 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.48 HD13 ' SD ' ' A' ' 67' ' ' MET . 0.4 OUTLIER -87.42 123.34 32.25 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.985 -1.007 . . . . 73.31 108.487 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.9 mm -115.97 129.45 72.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 109.13 -0.692 . . . . 70.55 109.13 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.421 ' HB2' HD21 ' A' ' 64' ' ' LEU . 55.0 t-20 -135.4 104.47 5.86 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 107.202 -1.407 . . . . 54.15 107.202 169.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.514 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.6 t -128.42 142.83 50.98 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.535 -0.757 . . . . 74.05 110.273 172.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -72.94 -24.02 60.75 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.811 -1.086 . . . . 73.53 110.263 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -83.92 106.57 15.7 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.744 -0.835 . . . . 74.45 108.744 -178.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.75 -35.45 81.12 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.614 0.766 . . . . 63.44 111.488 -175.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 42.6 mt-10 -72.92 -30.56 64.0 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.727 -0.669 . . . . 73.51 110.582 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 110' ' ' ASP . 32.6 tp -66.3 -35.42 80.34 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.92 0.488 . . . . 73.44 110.181 174.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.41 HG23 ' HE3' ' A' ' 57' ' ' LYS . 88.8 mt -56.35 -50.56 71.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 123.459 0.474 . . . . 75.35 109.797 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -53.32 -38.87 63.59 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 124.431 1.082 . . . . 74.14 111.025 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 28.3 mtpp -72.24 -50.73 25.1 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.891 0.876 . . . . 74.04 111.106 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.33 -34.76 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.961 0.904 . . . . 74.55 111.245 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.535 ' HE3' HG13 ' A' ' 29' ' ' VAL . 60.1 mtpt -59.43 -51.01 71.73 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 123.242 0.617 . . . . 72.41 109.746 173.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -65.42 -28.55 69.33 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.307 0.643 . . . . 74.13 112.193 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.52 -54.04 45.85 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.293 0.637 . . . . 73.2 110.331 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.669 HG13 HD12 ' A' ' 55' ' ' LEU . 18.8 m -76.45 -29.78 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 116.175 -0.466 . . . . 64.52 111.823 -173.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -61.94 -40.57 95.97 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.544 0.737 . . . . 74.13 109.815 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.77 -37.51 86.94 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.1 -0.954 . . . . 63.15 110.848 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -81.61 -12.68 58.64 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.475 0.71 . . . . 73.34 111.78 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.29 38.21 5.14 Favored Glycine 0 C--N 1.351 1.376 0 N-CA-C 114.264 0.466 . . . . 54.25 114.264 173.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.452 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 7.1 m-85 -101.87 144.32 30.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.84 0.856 . . . . 75.33 110.289 176.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -79.75 113.41 17.88 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.484 -0.932 . . . . 72.42 108.484 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.535 HG13 ' HE3' ' A' ' 19' ' ' LYS . 45.2 t -79.98 119.15 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 109.358 -0.608 . . . . 73.33 109.358 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -122.03 133.22 54.8 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.462 1.105 . . . . 74.34 108.05 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -111.95 116.51 30.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.119 0.968 . . . . 43.42 111.979 -163.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.4 t -105.96 121.27 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.832 0.853 . . . . 60.22 109.126 171.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -113.61 -25.74 8.58 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.029 0.532 . . . . 75.03 111.573 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.465 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 26.7 t70 -141.26 168.05 20.71 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 122.695 0.398 . . . . 73.32 110.965 -167.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.5 t -68.13 -37.11 80.73 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.525 1.13 . . . . 75.32 111.601 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.96 -50.42 64.39 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.873 -0.788 . . . . 75.44 108.873 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.465 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 67.2 mm-40 -51.57 -44.76 62.86 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 124.285 0.99 . . . . 74.33 110.333 176.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.1 tp -55.35 -61.92 2.02 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.767 1.292 . . . . 72.35 111.012 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -33.38 75.79 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.368 0.417 . . . . 75.24 111.806 -172.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 11.2 mmmm -59.65 -63.52 1.27 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.324 0.649 . . . . 74.42 110.157 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.7 pt-20 -75.12 -24.6 58.07 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.896 -0.593 . . . . 64.4 112.246 -172.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.696 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 12.0 mtp -72.06 -41.69 67.1 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.005 0.522 . . . . 75.41 111.838 178.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 11.6 mtpp -68.45 -24.34 64.71 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.959 -0.543 . . . . 74.54 110.52 176.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -70.65 -31.06 67.86 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 110.129 -0.322 . . . . 75.12 110.129 171.02 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.484 HD11 HD23 ' A' ' 4' ' ' LEU . 94.0 mt -73.08 -34.5 66.26 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.241 0.617 . . . . 74.55 110.957 176.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.71 -31.07 63.21 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.366 -0.833 . . . . 73.22 110.925 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 44.4 mt-10 -77.16 -61.26 2.04 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.176 -0.676 . . . . 72.44 109.176 172.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -87.8 83.98 7.08 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.791 1.236 . . . . 64.2 109.549 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.569 ' HZ3' ' HB2' ' A' ' 49' ' ' LYS . 10.2 mtmp? -89.89 22.61 3.08 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 114.794 -1.094 . . . . 74.45 111.443 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.573 HD21 ' HB2' ' A' ' 52' ' ' GLU . 10.7 t30 -50.66 133.57 25.51 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.996 1.319 . . . . 62.12 111.354 175.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -63.4 93.73 0.07 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.47 -0.937 . . . . 64.31 108.47 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.573 ' HB2' HD21 ' A' ' 50' ' ' ASN . 37.0 tt0 -141.19 138.24 33.22 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 114.915 -1.039 . . . . 63.23 108.935 -172.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 52.8 mtmt -95.15 98.66 10.8 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.933 0.893 . . . . 75.22 109.442 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.7 mt -112.44 126.29 69.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 123.885 0.874 . . . . 74.41 109.46 -173.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.669 HD12 HG13 ' A' ' 22' ' ' VAL . 15.6 tp -79.93 107.44 12.71 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 107.957 -1.127 . . . . 70.41 107.957 167.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.2 mm -90.6 105.69 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 107.507 -1.294 . . . . 72.24 107.507 173.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.41 ' HE3' HG23 ' A' ' 15' ' ' ILE . 12.8 tmtt? -91.66 145.71 24.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.363 -0.835 . . . . 75.01 108.862 177.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.512 ' HB3' HD12 ' A' ' 64' ' ' LEU . 35.1 t -157.38 170.7 21.85 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 124.103 0.961 . . . . 73.02 108.987 171.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -135.1 14.76 3.54 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.183 0.993 . . . . 72.4 110.877 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -149.02 118.94 7.1 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.528 0.731 . . . . 72.2 110.272 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -21.53 66.37 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.217 1.007 . . . . 74.24 113.372 -175.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 14.0 mm100 -69.65 -39.22 77.21 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 109.153 -0.684 . . . . 73.03 109.153 -178.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.36 -36.85 74.09 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 124.086 0.866 . . . . 74.31 110.604 173.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 58' ' ' SER . 9.0 mp -72.05 -35.46 69.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.724 0.81 . . . . 73.34 111.29 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 55.7 mtpt -60.89 -50.07 74.92 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.606 -0.516 . . . . 73.4 109.606 176.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 8.4 mm-40 -66.66 -32.73 74.23 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.437 1.086 . . . . 73.24 111.041 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.696 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 44.0 ttm -64.01 -55.3 23.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.011 0.924 . . . . 73.12 110.285 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.1 mt -69.64 -17.35 63.51 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.754 -1.112 . . . . 74.44 112.695 -173.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 36.0 mm-40 -60.54 -51.88 67.53 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.804 0.442 . . . . 73.24 110.501 170.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.75 -36.57 73.19 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.556 -0.747 . . . . 75.21 110.385 -178.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.443 HG23 HG21 ' A' ' 78' ' ' VAL . 58.5 mt -67.24 -31.83 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 115.705 -0.679 . . . . 73.42 111.507 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.4 m -58.37 -37.29 74.93 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.061 0.545 . . . . 53.24 111.181 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -74.2 -32.96 63.26 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.947 0.899 . . . . 74.01 110.999 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.5 mt -78.06 -31.98 50.59 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.725 -0.67 . . . . 71.55 110.467 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.79 82.18 0.07 OUTLIER Glycine 0 C--N 1.346 1.087 0 C-N-CA 124.488 1.042 . . . . 71.15 114.88 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -148.86 165.17 32.33 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.207 0.527 . . . . 75.11 111.49 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.519 ' HB2' ' HE3' ' A' ' 1' ' ' MET . 56.7 mmtt -77.16 102.89 6.79 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.032 -0.986 . . . . 75.41 111.409 -176.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.443 HG21 HG23 ' A' ' 71' ' ' ILE . 87.8 t -98.46 131.61 45.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-N 114.691 -1.14 . . . . 75.4 108.928 168.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -102.96 103.46 13.58 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 108.257 -1.016 . . . . 74.41 108.257 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 6' ' ' LEU . 23.8 tp -95.53 135.69 36.86 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.547 0.739 . . . . 72.21 110.622 -178.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.483 HD23 ' HB2' ' A' ' 113' ' ' ALA . 57.5 tp -121.57 129.89 53.15 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.257 1.023 . . . . 74.12 108.842 173.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.523 ' HB3' HD21 ' A' ' 90' ' ' LEU . 96.0 mt -115.18 102.47 9.93 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.389 -0.967 . . . . 74.0 108.389 175.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -117.04 108.23 15.5 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.28 0.562 . . . . 74.1 110.144 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.527 ' HB3' HD12 ' A' ' 90' ' ' LEU . 18.1 t0 -171.24 142.66 1.77 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 108.232 -1.025 . . . . 72.4 108.232 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -73.99 -18.52 60.85 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.855 -0.612 . . . . 72.44 110.985 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -82.21 76.76 9.07 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 107.441 -1.318 . . . . 71.01 107.441 163.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.59 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 7.7 pt-20 -78.16 -14.73 59.35 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.676 -1.147 . . . . 65.21 111.8 -175.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -62.3 -51.35 68.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.859 0.864 . . . . 71.04 110.83 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.53 -31.86 65.65 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.287 -0.415 . . . . 74.41 110.649 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.527 HD12 ' HB3' ' A' ' 84' ' ' ASP . 62.0 mt -59.8 -42.19 92.89 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 110.261 -0.274 . . . . 71.31 110.261 173.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.94 -51.48 69.49 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 124.09 0.869 . . . . 73.51 109.879 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -53.79 -50.19 66.63 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.16 0.913 . . . . 75.13 110.648 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -63.13 -51.48 66.34 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 124.368 1.042 . . . . 65.22 111.623 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.432 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -64.87 -21.28 66.78 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.69 0.396 . . . . 74.14 111.955 -175.668 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -68.31 -32.64 72.91 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.968 0.507 . . . . 73.32 111.717 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -72.05 -41.65 67.19 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.243 0.544 . . . . 72.52 110.208 172.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.429 HG22 ' HB2' ' A' ' 102' ' ' TYR . 22.5 mm -74.55 -42.82 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 115.267 -0.879 . . . . 74.12 111.142 -169.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -69.09 -30.91 69.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.234 1.014 . . . . 74.11 110.483 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.9 t -63.51 -33.96 76.74 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.44 0.696 . . . . 70.14 111.022 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -80.57 -3.07 48.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.732 0.813 . . . . 72.33 111.703 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.05 9.46 67.62 Favored Glycine 0 C--N 1.348 1.202 0 N-CA-C 113.79 0.276 . . . . 61.42 113.79 175.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.429 ' HB2' HG22 ' A' ' 97' ' ' ILE . 88.5 m-85 -75.65 149.27 38.22 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 109.538 -0.541 . . . . 75.5 109.538 172.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -87.44 100.13 12.52 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 108.578 -0.897 . . . . 74.44 108.578 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.9 p -125.7 117.43 49.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 122.926 0.49 . . . . 72.32 110.389 -177.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -101.23 135.47 42.65 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.513 -0.767 . . . . 75.41 109.098 173.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.59 ' HE2' ' HB2' ' A' ' 87' ' ' GLU . 13.1 tmtt? -113.44 117.65 32.33 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.68 1.192 . . . . 75.2 108.681 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 23.8 m -136.79 -174.1 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.925 1.29 . . . . 73.13 109.52 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.8 p -122.73 -63.74 1.24 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.399 0.68 . . . . 71.4 111.378 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -85.89 171.12 11.74 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.03 0.919 . . . . 73.41 113.334 -167.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.416 ' HB3' HD11 ' A' ' 14' ' ' LEU . 4.4 m-20 -74.38 -51.54 14.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 114.053 -1.431 . . . . 63.14 111.237 -169.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -55.49 -36.84 67.09 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.83 0.852 . . . . 72.03 111.57 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.545 ' O ' HG12 ' A' ' 116' ' ' ILE . 21.2 tp10 -75.33 -41.64 56.29 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 123.547 0.739 . . . . 74.41 109.952 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.483 ' HB2' HD23 ' A' ' 81' ' ' LEU . . . -59.09 -39.57 82.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.683 0.393 . . . . 74.13 111.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.24 -51.8 68.43 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.033 0.933 . . . . 72.42 111.599 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -66.61 -32.87 74.48 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.42 0.45 . . . . 73.31 111.072 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 112' ' ' GLU . 48.3 mm -64.26 -41.88 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.146 0.578 . . . . 75.54 110.524 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.506 ' O ' ' SD ' ' A' ' 121' ' ' MET . 79.7 t -56.56 -50.97 71.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 O-C-N 123.801 0.688 . . . . 74.33 109.807 174.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.505 ' HA ' ' SD ' ' A' ' 121' ' ' MET . 59.4 mtp85 -63.78 -26.68 68.75 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.031 0.832 . . . . 65.04 111.212 -176.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -75.57 -35.26 60.65 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.401 0.68 . . . . 74.14 111.467 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.432 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 11.7 m-85 -54.58 -49.79 69.54 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.145 0.578 . . . . 74.41 112.223 178.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.516 ' HA ' ' HB1' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -67.25 -21.02 65.75 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 123.513 0.508 . . . . 70.32 111.865 178.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -66.95 -44.3 80.95 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.292 0.496 . . . . 72.34 110.478 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -72.33 -31.95 66.1 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.513 0.325 . . . . 75.22 110.573 174.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 121' ' ' MET . . . -72.31 -12.19 61.03 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.596 0.758 . . . . 62.32 111.222 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.35 -38.35 96.12 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 112.093 -0.403 . . . . 72.04 112.093 171.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.5 m -61.92 -30.78 71.13 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.695 0.798 . . . . 74.51 111.602 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 N--CA 1.473 0.687 0 C-N-CA 123.498 0.719 . . . . 75.31 110.6 -175.891 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.465 ' HE2' ' HB2' ' A' ' 77' ' ' LYS . 14.6 tpt . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.773 -0.455 . . . . 72.35 109.773 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.423 ' HG3' ' H ' ' A' ' 52' ' ' GLU . 10.8 ttmm -158.26 149.67 21.15 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.589 -1.263 . . . . 74.23 107.589 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 124' ' ' ALA . 73.0 mt -111.66 103.61 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.497 -0.557 . . . . 74.11 109.497 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.514 HD23 HD13 ' A' ' 45' ' ' LEU . 10.9 mp -107.66 131.18 54.67 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.53 -0.915 . . . . 75.13 108.53 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.536 HG12 ' HB2' ' A' ' 79' ' ' PHE . 20.8 mt -109.86 114.62 47.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.123 -1.066 . . . . 70.52 108.123 170.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.533 HD21 ' SD ' ' A' ' 67' ' ' MET . 77.2 mt -89.79 133.68 34.58 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.468 0.707 . . . . 75.32 109.106 178.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.8 mm -124.11 116.65 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.925 -0.769 . . . . 74.24 108.925 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.431 ' OD1' ' HB3' ' A' ' 61' ' ' LYS . 5.2 t-20 -128.01 102.16 6.62 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 108.294 -1.002 . . . . 73.03 108.294 166.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 t -127.78 139.67 52.52 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 107.809 -1.182 . . . . 74.31 107.809 170.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -69.67 -39.68 76.87 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.358 0.411 . . . . 71.13 110.258 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -76.78 93.96 3.78 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.508 -0.769 . . . . 62.31 109.009 174.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.74 -22.16 66.92 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.357 1.463 . . . . 61.31 112.624 -171.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.62 -30.69 70.33 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.26 0.624 . . . . 75.12 111.311 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.446 HD12 ' HB2' ' A' ' 110' ' ' ASP . 27.9 tp -61.7 -35.15 77.19 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.051 0.54 . . . . 71.33 110.962 175.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.621 HG23 ' HG3' ' A' ' 57' ' ' LYS . 68.4 mt -58.57 -35.98 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.252 0.621 . . . . 74.34 110.784 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -63.7 -34.98 79.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.438 0.461 . . . . 73.41 110.053 -178.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.539 ' HE2' HD12 ' A' ' 114' ' ' LEU . 45.5 mtpt -74.7 -43.77 53.42 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.786 0.834 . . . . 75.44 110.485 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.3 mt -61.7 -38.13 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.3 1.04 . . . . 73.52 110.187 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.661 ' HB3' ' HZ1' ' A' ' 19' ' ' LYS . 9.2 mtpm? -57.55 -50.41 73.2 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 115.348 -0.842 . . . . 75.31 109.583 176.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -63.34 -33.75 76.21 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 123.42 0.45 . . . . 72.14 111.814 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -65.66 -43.42 89.4 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.031 0.532 . . . . 74.45 111.872 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.623 HG11 HD12 ' A' ' 55' ' ' LEU . 10.8 m -76.64 -26.98 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.176 0.19 . . . . 65.14 110.693 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.75 -32.8 73.66 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.872 0.869 . . . . 74.22 109.929 176.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -61.71 -35.21 77.38 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.53 0.732 . . . . 72.32 110.79 171.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -90.1 -9.35 48.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.426 0.69 . . . . 73.13 110.987 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.11 31.35 20.33 Favored Glycine 0 C--N 1.349 1.286 0 N-CA-C 114.473 0.549 . . . . 51.44 114.473 173.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -82.09 148.03 28.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.256 0.623 . . . . 74.12 109.679 172.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.37 158.35 27.43 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.348 -0.982 . . . . 73.55 108.348 165.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.431 HG12 HD23 ' A' ' 55' ' ' LEU . 31.9 t -131.96 119.22 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 122.826 0.45 . . . . 75.12 109.84 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -131.3 159.21 38.52 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 108.898 -0.779 . . . . 74.15 108.898 169.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -127.41 136.89 52.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.048 0.539 . . . . 71.13 111.285 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.4 t -100.34 115.02 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.487 1.115 . . . . 74.13 108.668 174.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -89.44 -31.16 17.84 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.844 0.458 . . . . 61.33 110.988 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -144.57 160.72 40.68 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.921 0.488 . . . . 72.53 111.325 -174.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -56.25 -29.67 61.38 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.117 1.367 . . . . 75.34 112.642 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.526 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 21.8 t70 -57.71 -56.15 25.66 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 123.723 0.639 . . . . 73.45 110.181 175.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.58 -41.26 94.29 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.989 0.805 . . . . 75.02 110.761 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 tp -48.51 -62.28 1.58 Allowed 'General case' 0 C--N 1.352 0.707 0 O-C-N 125.006 1.441 . . . . 71.45 111.228 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.526 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -70.18 -33.06 71.27 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.423 0.452 . . . . 74.51 111.932 -175.369 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -58.41 -51.66 68.91 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.662 0.385 . . . . 75.13 110.997 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 7.8 pt-20 -80.21 -27.97 38.7 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 119.058 -0.496 . . . . 72.24 111.157 -177.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.406 ' SD ' HD11 ' A' ' 45' ' ' LEU . 75.5 mmm -66.01 -30.64 71.21 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 118.03 0.377 . . . . 72.15 111.408 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 6.3 mptp? -66.19 -41.49 90.15 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.692 -0.484 . . . . 73.04 109.692 172.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.484 ' HB3' ' HZ3' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -67.05 -38.9 86.65 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.263 0.625 . . . . 74.33 110.431 -178.765 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.514 HD13 HD23 ' A' ' 4' ' ' LEU . 93.1 mt -67.06 -44.48 80.03 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.189 0.996 . . . . 74.25 110.204 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.24 83.48 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.497 -0.774 . . . . 63.45 111.37 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.46 -68.11 0.45 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.271 0.628 . . . . 63.54 112.285 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -153.27 110.99 3.55 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 122.886 0.475 . . . . 73.32 110.424 -168.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -163.4 3.11 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.455 0.702 . . . . 73.05 111.07 168.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 67.85 171.2 0.27 Allowed 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 124.806 1.242 . . . . 74.53 110.632 174.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -56.04 103.98 0.12 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.004 -0.739 . . . . 72.35 109.004 166.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' H ' ' HG3' ' A' ' 2' ' ' LYS . 9.8 tp10 -137.3 145.21 43.18 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.151 0.5 . . . . 75.05 110.764 -172.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -97.29 105.14 17.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.984 1.314 . . . . 73.11 108.371 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.3 mt -123.63 144.15 34.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.561 0.744 . . . . 64.5 109.43 -175.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.623 HD12 HG11 ' A' ' 22' ' ' VAL . 16.8 tp -112.64 112.51 24.09 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 107.686 -1.228 . . . . 73.15 107.686 175.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.0 mm -101.77 117.4 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 109.662 -0.496 . . . . 74.32 109.662 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.621 ' HG3' HG23 ' A' ' 15' ' ' ILE . 12.8 tmtt? -96.13 145.83 25.17 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.346 1.059 . . . . 65.14 110.124 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.502 ' HB3' HD12 ' A' ' 64' ' ' LEU . 48.4 t -159.74 158.35 31.1 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.473 0.709 . . . . 64.22 110.187 169.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -90.89 -20.62 22.04 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.855 0.862 . . . . 72.2 110.111 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.57 117.15 32.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.247 1.019 . . . . 74.3 109.238 -175.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HB3' ' OD1' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -77.46 -11.91 59.9 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.725 0.81 . . . . 74.34 112.9 -178.118 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.415 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 10.6 mm100 -74.59 -32.52 62.4 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.707 -0.479 . . . . 72.14 109.707 -178.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.02 -37.56 83.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.58 0.752 . . . . 73.23 110.058 171.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 80' ' ' LEU . 7.7 mp -68.16 -32.4 72.62 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 114.837 -1.074 . . . . 71.12 110.227 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -65.85 -54.81 21.78 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.545 0.338 . . . . 71.22 110.109 176.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 13.8 mm-40 -63.84 -25.98 68.41 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.248 0.968 . . . . 73.01 111.146 -176.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.533 ' SD ' HD21 ' A' ' 6' ' ' LEU . 38.0 ttm -66.85 -51.8 51.2 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.714 0.806 . . . . 61.25 109.869 172.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.04 -25.99 67.3 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.022 0.929 . . . . 73.43 112.263 -177.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -64.53 -36.14 83.25 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.945 0.498 . . . . 64.51 110.533 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.9 mt -77.49 -40.63 42.32 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.449 0.699 . . . . 74.24 110.256 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.457 HD13 HG21 ' A' ' 78' ' ' VAL . 73.8 mt -66.42 -31.12 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.616 1.166 . . . . 74.43 111.862 -176.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.5 p -62.1 -29.56 70.4 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.762 0.425 . . . . 74.53 111.545 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -86.48 -29.72 22.55 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.019 0.527 . . . . 75.31 110.656 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.04 -26.0 61.14 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.059 0.544 . . . . 74.43 111.12 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.93 63.07 3.46 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.743 0.652 . . . . 61.03 114.397 173.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -149.33 158.23 44.0 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 121.011 0.434 . . . . 75.0 111.548 172.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.465 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 69.9 mmtt -80.1 138.56 36.97 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.963 -1.017 . . . . 75.32 111.682 -175.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.457 HG21 HD13 ' A' ' 71' ' ' ILE . 91.9 t -129.65 144.33 38.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 124.505 1.122 . . . . 64.24 109.51 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.536 ' HB2' HG12 ' A' ' 5' ' ' ILE . 55.2 m-85 -117.95 108.82 15.75 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 124.171 0.988 . . . . 75.45 108.85 -175.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.521 HD11 HD23 ' A' ' 64' ' ' LEU . 20.5 tp -106.2 134.42 49.36 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.9 -0.408 . . . . 73.43 109.9 -176.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.405 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 40.7 tp -124.91 124.73 42.69 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.388 0.675 . . . . 73.31 109.464 174.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.523 ' HB3' HD13 ' A' ' 90' ' ' LEU . 51.7 mt -110.97 137.49 48.53 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.754 1.222 . . . . 70.52 108.293 177.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.64 126.13 10.9 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 117.861 0.3 . . . . 72.51 110.571 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -174.67 163.09 3.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.384 0.673 . . . . 72.1 110.163 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -72.03 -29.94 64.69 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.165 0.986 . . . . 71.53 111.361 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -87.49 61.93 6.84 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 122.778 1.275 . . . . 65.35 108.073 168.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.46 -16.58 60.31 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 113.986 -1.461 . . . . 75.12 111.569 -176.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.91 -44.36 96.95 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.708 1.203 . . . . 64.01 111.632 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.42 -49.38 66.96 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.804 0.442 . . . . 74.14 110.578 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' ' 82' ' ' LEU . 98.9 mt -63.03 -23.41 67.44 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.196 -0.911 . . . . 74.53 111.413 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.54 -39.49 91.83 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.356 1.062 . . . . 64.12 111.064 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.28 -34.66 25.71 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.469 0.308 . . . . 74.53 110.52 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -56.88 -48.36 78.32 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.503 0.721 . . . . 72.2 110.191 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -27.34 68.37 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.158 -0.928 . . . . 75.44 111.73 -178.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -66.94 -41.97 86.05 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.898 0.479 . . . . 74.22 110.743 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.33 -48.6 79.11 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.695 0.622 . . . . 65.22 110.628 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.3 mm -64.38 -33.92 65.93 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 123.497 0.719 . . . . 72.14 110.618 -177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.39 -34.13 72.19 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.206 1.002 . . . . 72.52 111.066 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.4 t -74.98 -13.18 60.48 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.433 0.693 . . . . 70.52 111.026 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -90.45 -0.76 57.79 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.95 0.9 . . . . 71.13 111.085 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.94 25.99 35.98 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 116.573 -0.285 . . . . 63.14 113.407 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -106.8 140.37 39.75 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.688 0.395 . . . . 65.04 110.223 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.467 ' O ' ' HA ' ' A' ' 79' ' ' PHE . 15.6 tp10 -78.0 102.46 7.4 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.693 -0.854 . . . . 63.31 108.693 178.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 p -133.81 133.52 56.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 123.065 0.546 . . . . 75.23 110.861 -172.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -128.42 158.77 37.38 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.884 0.874 . . . . 74.54 109.765 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.411 ' HB3' ' HE3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -137.37 131.53 32.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.887 -1.051 . . . . 73.52 108.358 177.181 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.1 m -135.19 -177.82 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.485 1.114 . . . . 70.03 110.386 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -130.52 -39.2 1.3 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.789 1.236 . . . . 73.13 109.831 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -78.65 135.29 37.17 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.694 -0.685 . . . . 74.43 109.725 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.446 ' HB2' HD12 ' A' ' 14' ' ' LEU . 11.6 p-10 -70.63 -36.69 73.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.55 1.14 . . . . 73.41 110.766 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.87 -40.43 96.52 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.889 -1.051 . . . . 71.34 110.278 175.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.523 ' O ' HG12 ' A' ' 116' ' ' ILE . 19.0 tp10 -71.11 -34.45 71.11 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.807 -0.633 . . . . 75.03 110.223 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -58.41 -43.3 88.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.654 0.382 . . . . 71.13 111.78 178.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.539 HD12 ' HE2' ' A' ' 17' ' ' LYS . 16.3 mt -66.92 -40.52 87.65 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.601 0.563 . . . . 74.22 111.904 -176.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 118' ' ' ARG . 13.0 ptmm? -73.87 -23.19 59.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 122.589 0.356 . . . . 75.44 110.446 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 112' ' ' GLU . 40.1 mm -74.09 -37.95 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.069 0.548 . . . . 75.12 110.882 172.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 113' ' ' ALA . 87.1 t -55.69 -37.54 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.376 0.67 . . . . 74.24 110.298 173.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.411 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 95.8 mtt180 -71.91 -28.64 63.62 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.123 -0.944 . . . . 72.41 111.384 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.58 -40.53 73.22 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.625 0.37 . . . . 73.42 110.704 173.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.405 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 22.4 m-85 -54.91 -32.82 61.48 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.163 0.585 . . . . 75.23 111.587 174.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.418 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 21.9 mmt -71.81 -24.82 61.79 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.639 0.775 . . . . 74.15 111.938 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.18 -49.51 43.02 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.484 0.713 . . . . 71.13 109.849 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -38.51 88.19 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.14 -0.936 . . . . 74.4 110.024 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.543 ' HA ' HD13 ' A' ' 127' ' ' LEU . . . -71.03 -28.5 64.43 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.065 0.946 . . . . 65.42 110.852 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.97 -42.11 99.74 Favored Glycine 0 C--N 1.344 1.024 0 CA-C-N 115.182 -0.917 . . . . 75.43 112.732 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.4 m -62.02 -31.8 72.23 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.166 0.587 . . . . 75.24 111.152 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' A' ' 124' ' ' ALA . 31.9 mt . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 124.135 0.974 . . . . 74.41 111.233 -174.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.059 -0.719 . . . . 73.33 109.059 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -148.23 127.94 13.37 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.133 -1.062 . . . . 75.51 108.133 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.508 HG23 ' HB3' ' A' ' 124' ' ' ALA . 71.6 mt -91.84 122.75 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 109.318 -0.623 . . . . 71.22 109.318 -175.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.474 HD12 HD21 ' A' ' 45' ' ' LEU . 11.2 mp -115.61 144.19 44.26 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.463 0.705 . . . . 71.04 109.365 173.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.468 HG12 ' HB2' ' A' ' 79' ' ' PHE . 33.3 mt -122.22 111.43 30.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 N-CA-C 107.187 -1.412 . . . . 71.33 107.187 163.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.41 HD21 ' SD ' ' A' ' 67' ' ' MET . 63.6 mt -89.68 121.06 31.5 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.423 0.689 . . . . 72.11 109.41 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.483 HG13 HG21 ' A' ' 18' ' ' ILE . 45.9 mm -109.5 116.59 52.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 CA-C-N 115.527 -0.761 . . . . 70.22 109.457 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -119.41 101.95 8.32 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.22 -1.03 . . . . 72.03 108.22 169.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.615 ' HB ' ' HB1' ' A' ' 83' ' ' ALA . 6.5 t -130.94 146.02 52.21 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.518 0.727 . . . . 74.31 109.476 168.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -69.96 -20.98 63.29 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 115.706 -0.679 . . . . 73.51 110.699 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -91.39 101.86 14.54 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.477 0.711 . . . . 73.24 110.208 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.68 -29.88 70.89 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.461 0.705 . . . . 75.33 110.827 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.65 -35.33 75.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.167 0.987 . . . . 72.11 110.466 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.51 -38.63 90.69 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.682 0.393 . . . . 74.15 110.249 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.52 HD13 ' HD3' ' A' ' 57' ' ' LYS . 56.9 mt -61.21 -37.81 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.207 0.603 . . . . 75.32 110.523 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 94.4 mttt -54.99 -34.92 63.8 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.287 0.635 . . . . 74.5 111.462 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 24.5 mtpp -76.91 -44.19 32.65 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.468 -0.787 . . . . 74.44 110.385 177.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.483 HG21 HG13 ' A' ' 7' ' ' ILE . 81.1 mt -59.33 -37.24 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 124.287 1.035 . . . . 72.12 111.515 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.575 ' HG2' HG12 ' A' ' 29' ' ' VAL . 27.6 mtpp -57.97 -53.1 62.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.337 1.055 . . . . 73.35 109.096 175.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -67.06 -26.13 66.59 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.469 -0.787 . . . . 73.2 112.571 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 21.0 mm-40 -63.57 -55.12 26.28 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 121.168 0.508 . . . . 72.3 110.218 173.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.45 -29.12 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 N-CA-C 112.861 0.689 . . . . 73.52 112.861 -171.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.42 -20.5 66.19 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 112.451 0.537 . . . . 71.1 112.451 -176.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -59.36 -41.44 89.25 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.033 0.533 . . . . 73.52 110.914 171.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -91.62 7.92 39.22 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.303 0.641 . . . . 70.3 111.509 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.93 27.09 51.54 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-O 119.657 -0.524 . . . . 75.14 114.368 171.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -70.17 129.16 38.65 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 117.337 0.568 . . . . 63.31 109.711 172.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -79.72 111.38 15.96 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 107.722 -1.214 . . . . 72.12 107.722 170.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.575 HG12 ' HG2' ' A' ' 19' ' ' LYS . 39.1 t -90.12 119.26 36.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.683 -0.858 . . . . 73.35 108.683 177.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.41 124.52 50.22 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.807 -1.183 . . . . 75.21 107.807 168.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.455 ' HA ' ' HG3' ' A' ' 57' ' ' LYS . 6.6 m-20 -91.6 112.14 23.94 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 114.591 -1.186 . . . . 75.13 109.072 -174.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.6 t -89.11 115.25 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.688 0.795 . . . . 70.41 109.863 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -96.9 -19.4 18.86 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.701 0.8 . . . . 72.22 111.658 -175.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -159.75 171.32 19.73 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.744 0.418 . . . . 65.11 110.386 -172.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 t -61.26 -28.7 69.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.412 1.085 . . . . 75.24 111.572 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.6 -53.56 56.95 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 123.764 0.826 . . . . 53.14 109.563 170.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.87 -20.67 65.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.598 0.759 . . . . 64.54 111.893 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 67' ' ' MET . 68.4 tp -68.74 -58.04 4.79 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.495 0.718 . . . . 71.24 110.176 173.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -29.79 70.12 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 123.376 0.423 . . . . 74.41 111.3 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -55.75 -42.66 75.76 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.33 1.052 . . . . 75.31 110.827 171.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 41.8 mm-40 -80.82 -24.76 38.26 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.649 -0.705 . . . . 71.13 112.161 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.51 ' HE1' ' HB2' ' A' ' 70' ' ' LEU . 81.1 mmm -67.14 -27.87 67.67 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 117.779 0.263 . . . . 74.11 110.632 174.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.52 -45.96 84.96 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.185 0.517 . . . . 75.51 109.724 167.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -64.93 -21.48 66.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.252 -0.886 . . . . 74.31 111.86 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 68.9 mt -89.59 -45.99 8.98 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.894 0.702 . . . . 72.35 112.894 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.08 -36.92 12.43 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.554 1.316 . . . . 73.34 114.554 -164.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -57.07 -43.21 81.88 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.055 0.455 . . . . 73.13 111.139 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.33 137.26 48.7 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.423 -0.954 . . . . 72.02 108.423 166.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -106.64 22.39 15.95 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 122.012 0.91 . . . . 74.15 108.559 -178.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -67.81 153.41 43.78 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.064 1.346 . . . . 61.1 111.014 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.04 131.01 47.15 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 112.904 0.705 . . . . 75.4 112.904 -173.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -171.19 146.37 2.36 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.757 1.223 . . . . 74.24 109.322 172.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -91.35 120.38 32.17 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 108.414 -0.958 . . . . 72.42 108.414 171.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.4 mt -126.29 123.12 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.544 0.737 . . . . 63.31 109.776 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.2 tp -90.95 114.26 26.7 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.012 -1.107 . . . . 75.2 108.012 168.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.3 mm -105.13 123.24 59.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.335 -0.987 . . . . 75.22 108.335 173.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.52 ' HD3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -109.68 149.74 29.29 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.316 -0.624 . . . . 72.31 109.316 176.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.543 ' HB3' HD13 ' A' ' 64' ' ' LEU . 41.4 t -170.77 120.39 0.55 Allowed 'General case' 0 C--O 1.24 0.601 0 C-N-CA 124.441 1.096 . . . . 73.25 108.563 174.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -65.82 -26.2 67.56 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.072 0.949 . . . . 71.5 110.75 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -83.28 115.12 21.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.17 0.988 . . . . 65.23 109.013 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -76.07 -22.49 55.56 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.727 0.64 . . . . 72.34 112.727 -174.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -71.67 -33.37 68.79 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.134 0.271 . . . . 75.11 110.352 -174.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt -58.72 -37.32 75.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.128 0.571 . . . . 75.21 111.251 175.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 58' ' ' SER . 7.1 mp -69.91 -35.68 74.79 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.517 0.727 . . . . 72.42 110.538 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.554 ' HB3' ' HZ2' ' A' ' 65' ' ' LYS . 6.8 mtpm? -60.18 -56.39 22.12 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.368 0.604 . . . . 74.52 109.915 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -66.35 -26.42 67.27 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 113.943 -1.481 . . . . 72.33 111.644 -175.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.501 ' HB2' HD12 ' A' ' 38' ' ' LEU . 33.5 ttm -65.17 -52.3 55.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.59 0.756 . . . . 74.23 109.44 173.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.519 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 98.4 mt -63.63 -32.24 73.66 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 124.284 0.99 . . . . 71.5 111.847 -177.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -61.66 -33.37 73.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.024 0.53 . . . . 54.42 111.238 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.51 ' HB2' ' HE1' ' A' ' 42' ' ' MET . 76.4 mt -85.86 -30.43 22.92 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.062 0.545 . . . . 74.2 111.033 175.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.519 ' HB ' ' HA ' ' A' ' 68' ' ' LEU . 41.9 mt -67.7 -28.3 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 123.962 0.905 . . . . 71.12 111.251 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -58.41 -23.07 56.24 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.44 0.696 . . . . 63.12 112.098 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -71.63 -41.79 68.41 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.004 0.921 . . . . 75.52 110.662 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.4 mt -76.87 -39.01 52.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.901 0.88 . . . . 73.32 111.406 -177.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.6 83.68 0.1 Allowed Glycine 0 C--N 1.352 1.42 0 O-C-N 123.597 0.561 . . . . 54.22 113.917 175.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -152.23 170.95 18.74 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.181 0.515 . . . . 75.24 111.906 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -71.54 111.53 6.92 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.152 -0.931 . . . . 75.4 110.917 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.437 HG11 HD22 ' A' ' 68' ' ' LEU . 44.2 t -110.23 132.68 57.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 107.905 -1.146 . . . . 74.42 107.905 169.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.468 ' HB2' HG12 ' A' ' 5' ' ' ILE . 73.6 m-85 -108.59 107.92 18.61 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.397 -0.964 . . . . 70.24 108.397 -177.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.1 tp -102.74 139.48 38.26 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.605 0.762 . . . . 75.11 109.344 -174.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.8 tp -134.84 132.75 38.98 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.556 0.742 . . . . 75.35 109.271 178.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.558 ' HB3' HD23 ' A' ' 90' ' ' LEU . 78.1 mt -121.04 115.9 24.02 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.088 0.955 . . . . 70.45 109.288 -175.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.615 ' HB1' ' HB ' ' A' ' 9' ' ' THR . . . -130.62 109.67 10.82 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.305 0.574 . . . . 72.44 112.047 -173.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.2 t70 179.42 170.2 1.02 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 125.409 1.484 . . . . 74.11 107.712 171.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -83.63 2.27 38.26 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.395 0.678 . . . . 74.15 111.598 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -86.67 40.07 0.87 Allowed 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 122.003 0.906 . . . . 74.41 109.706 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -57.08 -21.73 33.96 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 113.966 -1.47 . . . . 72.31 113.387 -167.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.52 -51.31 69.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.881 0.872 . . . . 73.32 110.364 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.34 -42.24 79.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.493 -0.776 . . . . 74.25 110.234 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.558 HD23 ' HB3' ' A' ' 82' ' ' LEU . 85.3 mt -62.68 -32.09 73.1 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 123.974 0.796 . . . . 74.11 111.519 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -70.35 -48.46 56.31 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.952 0.901 . . . . 71.12 110.036 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.07 -42.0 94.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.706 -0.679 . . . . 71.33 110.49 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.463 ' CE1' ' HG2' ' A' ' 65' ' ' LYS . 3.8 t80 -59.86 -50.08 75.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.259 1.024 . . . . 75.33 110.709 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -27.46 69.19 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 123.044 0.215 . . . . 75.32 111.464 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.11 -36.44 77.54 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.062 0.545 . . . . 73.11 111.676 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -44.21 84.82 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.236 0.614 . . . . 75.02 110.708 175.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.435 HG22 ' HB2' ' A' ' 102' ' ' TYR . 38.9 mm -70.39 -38.9 75.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.11 -0.95 . . . . 71.45 110.696 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -68.73 -32.85 72.92 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.829 1.252 . . . . 75.31 111.035 176.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -68.51 -22.29 64.53 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.465 0.706 . . . . 73.04 111.099 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -96.14 9.26 41.49 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.535 0.734 . . . . 75.15 111.222 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.94 -4.28 85.61 Favored Glycine 0 C--N 1.35 1.343 0 CA-C-O 119.246 -0.752 . . . . 75.12 114.839 172.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.435 ' HB2' HG22 ' A' ' 97' ' ' ILE . 98.1 m-85 -69.43 142.34 53.86 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 117.717 0.759 . . . . 74.41 110.263 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -71.98 118.83 15.34 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 108.45 -0.945 . . . . 73.11 108.45 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.62 144.56 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.273 0.629 . . . . 73.22 111.011 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -134.85 153.17 52.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.527 1.131 . . . . 75.42 108.606 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.481 ' HB3' ' HZ2' ' A' ' 106' ' ' LYS . 3.9 ttpm? -118.41 140.23 50.17 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 108.986 -0.746 . . . . 74.23 108.986 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.9 m -134.52 161.65 40.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 125.039 1.336 . . . . 74.5 108.917 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.0 p -122.28 -7.45 8.76 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.034 0.934 . . . . 73.12 110.666 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -122.28 157.71 31.11 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.676 0.79 . . . . 73.21 110.386 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -71.87 -58.03 3.81 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.521 1.128 . . . . 72.41 112.049 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 114' ' ' LEU . 31.1 mt-10 -70.58 -26.9 63.74 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.399 -0.819 . . . . 73.35 110.534 -174.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.467 ' O ' HG12 ' A' ' 116' ' ' ILE . 49.3 tt0 -63.56 -43.58 96.63 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.122 -1.399 . . . . 71.13 110.229 172.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.425 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -58.65 -50.27 74.48 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 123.033 0.533 . . . . 72.54 110.624 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 111' ' ' GLU . 78.1 mt -51.51 -42.49 61.75 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.547 1.139 . . . . 73.15 111.519 176.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -65.42 -40.04 92.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.747 1.219 . . . . 73.54 111.347 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.467 HG12 ' O ' ' A' ' 112' ' ' GLU . 42.9 mm -75.76 -29.89 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 123.063 0.545 . . . . 73.24 110.746 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 113' ' ' ALA . 75.2 t -59.1 -45.59 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.272 0.629 . . . . 71.13 109.82 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.481 ' HA ' ' SD ' ' A' ' 121' ' ' MET . 47.0 mtp85 -65.1 -33.85 77.01 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.019 0.825 . . . . 74.45 110.908 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -63.67 -49.82 71.7 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.248 0.619 . . . . 74.13 110.402 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -57.15 -34.39 68.38 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.824 0.85 . . . . 73.11 111.664 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.481 ' SD ' ' HA ' ' A' ' 118' ' ' ARG . 68.4 mtp -64.04 -37.28 86.87 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.87 0.868 . . . . 74.21 111.231 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -69.79 -45.7 67.37 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 122.988 0.515 . . . . 74.13 110.363 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.438 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 13.8 mptt -64.42 -36.84 85.48 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.241 -0.89 . . . . 74.43 110.399 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.508 ' HB3' HG23 ' A' ' 3' ' ' ILE . . . -70.67 -38.53 73.77 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.921 0.763 . . . . 61.31 111.047 177.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.13 -42.61 99.73 Favored Glycine 0 C--N 1.347 1.193 0 O-C-N 123.488 0.492 . . . . 63.54 112.202 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.9 p -71.48 -18.21 62.31 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.466 0.707 . . . . 65.4 112.241 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 97.9 mt . . . . . 0 N--CA 1.488 1.455 0 CA-C-N 118.25 0.477 . . . . 74.15 110.917 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.473 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 12.2 tpt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.973 -0.38 . . . . 64.21 109.973 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.497 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 19.6 ttmm -105.84 134.69 48.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 122.847 0.459 . . . . 74.23 109.824 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.438 HD12 ' HB1' ' A' ' 124' ' ' ALA . 70.9 mt -106.49 120.56 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.776 1.23 . . . . 74.13 109.137 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.546 HD22 HD13 ' A' ' 45' ' ' LEU . 10.4 mp -114.16 138.63 50.19 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.639 0.776 . . . . 73.3 109.423 175.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.2 mt -115.71 107.84 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.946 -1.131 . . . . 74.31 107.946 166.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.453 ' HB3' HD12 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -87.88 124.62 33.85 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.517 1.127 . . . . 75.02 108.996 179.059 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.44 HG13 HG23 ' A' ' 18' ' ' ILE . 49.0 mm -113.59 115.83 50.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 108.999 -0.741 . . . . 71.21 108.999 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.478 ' HB2' HD23 ' A' ' 64' ' ' LEU . 28.6 t-20 -112.42 100.46 8.79 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 107.593 -1.262 . . . . 73.44 107.593 170.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.495 ' HB ' ' HB2' ' A' ' 83' ' ' ALA . 7.6 t -130.45 147.65 52.17 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.266 0.626 . . . . 73.54 110.755 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -71.76 -25.71 62.14 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.134 -0.939 . . . . 75.4 111.039 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -96.53 121.92 38.88 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.695 0.798 . . . . 74.33 111.496 -171.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.48 ' HA ' HD11 ' A' ' 15' ' ' ILE . 5.9 m-20 -69.88 -35.75 74.91 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.591 0.756 . . . . 62.33 110.867 173.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -57.24 -42.58 81.71 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.126 0.891 . . . . 75.44 110.94 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.8 tp -66.47 -40.51 89.38 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.951 0.9 . . . . 73.22 110.847 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.48 HD11 ' HA ' ' A' ' 12' ' ' ASP . 92.7 mt -55.34 -50.11 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.818 0.847 . . . . 64.34 110.887 178.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -59.62 -30.97 69.07 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.039 0.837 . . . . 73.32 111.665 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HE2' HD11 ' A' ' 114' ' ' LEU . 56.8 mtpt -81.42 -42.41 20.43 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.746 0.818 . . . . 72.11 110.817 -178.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.44 HG23 HG13 ' A' ' 7' ' ' ILE . 59.6 mt -62.05 -33.7 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.76 0.824 . . . . 73.31 109.882 176.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.619 ' HZ2' ' HB3' ' A' ' 19' ' ' LYS . 8.6 mtpm? -57.75 -53.44 58.17 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 123.204 0.602 . . . . 74.53 110.391 175.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -69.37 -23.09 63.7 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.209 0.448 . . . . 65.02 112.209 -176.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 37.7 mm-40 -63.9 -57.92 8.34 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.359 -0.608 . . . . 65.31 109.359 169.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.684 HG11 HD13 ' A' ' 55' ' ' LEU . 16.3 m -71.27 -28.32 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 115.642 -0.708 . . . . 74.25 112.261 -170.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.31 -41.62 96.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.498 0.719 . . . . 74.11 110.295 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -78.38 -12.42 60.0 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.209 -0.451 . . . . 70.21 111.743 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 22.7 mm-40 -90.75 -12.12 37.5 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.01 0.524 . . . . 75.11 111.11 173.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.9 37.59 4.9 Favored Glycine 0 C--N 1.353 1.509 0 O-C-N 123.118 0.261 . . . . 64.41 113.649 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.441 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 12.2 m-85 -111.65 136.95 50.17 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.818 0.847 . . . . 73.44 109.731 175.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -82.77 138.27 34.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.56 -0.904 . . . . 73.11 108.56 168.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.491 HG11 ' HE2' ' A' ' 19' ' ' LYS . 41.2 t -100.17 121.68 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 109.923 -0.399 . . . . 74.11 109.923 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.23 113.01 25.2 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.079 0.951 . . . . 75.43 109.27 169.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 11.3 p-10 -90.98 114.65 27.22 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 108.812 -0.81 . . . . 74.1 108.812 170.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.3 t -82.03 110.84 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.379 -0.971 . . . . 75.54 108.379 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -87.97 -34.32 18.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.568 0.747 . . . . 73.03 110.789 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -151.05 168.8 23.5 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.699 -0.682 . . . . 75.1 110.619 -163.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 t -64.33 -30.58 71.62 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.427 0.691 . . . . 74.34 111.64 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.529 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 17.8 t70 -61.99 -47.22 85.77 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.519 0.728 . . . . 72.13 110.439 173.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -53.62 -50.07 66.49 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.18 0.925 . . . . 61.0 109.991 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 67' ' ' MET . 57.5 tp -55.87 -58.09 9.34 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.029 -1.442 . . . . 75.4 112.397 -176.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.529 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -66.97 -37.66 84.66 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 111.838 0.31 . . . . 74.44 111.838 -175.213 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -61.07 -47.72 85.03 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.292 0.237 . . . . 62.22 111.525 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.8 pt-20 -70.61 -34.79 72.51 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 119.359 -0.353 . . . . 74.31 110.476 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.483 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -60.97 -40.53 93.72 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.499 0.72 . . . . 71.03 112.062 -177.652 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 5.5 mptp? -61.79 -38.99 90.12 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.679 -0.691 . . . . 75.03 110.36 175.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 9.6 mmpt? -69.42 -39.01 78.14 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.888 0.475 . . . . 74.21 111.153 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.546 HD13 HD22 ' A' ' 4' ' ' LEU . 71.6 mt -68.66 -22.8 64.37 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.24 0.616 . . . . 75.0 110.436 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.68 -49.06 10.2 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.807 0.843 . . . . 72.04 111.993 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 22.5 mm-40 -76.72 -49.67 15.49 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.73 0.412 . . . . 55.31 112.054 -172.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.55 97.4 1.31 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 108.386 -0.968 . . . . 71.44 108.386 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -100.74 -6.33 25.15 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.174 0.435 . . . . 71.43 112.174 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -71.11 171.03 11.67 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.726 0.41 . . . . 74.41 110.183 176.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 1' ' ' MET . 48.2 t80 -65.79 133.53 51.2 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.022 -0.535 . . . . 73.11 110.428 -176.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.497 ' HB3' ' HG3' ' A' ' 2' ' ' LYS . 43.9 tt0 -165.97 147.76 7.03 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.17 0.988 . . . . 72.34 108.48 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 97.1 mttt -122.4 121.13 35.94 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.918 0.887 . . . . 75.01 109.054 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 49.8 mt -130.45 128.11 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 122.842 0.457 . . . . 74.01 110.528 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.684 HD13 HG11 ' A' ' 22' ' ' VAL . 23.3 tp -81.66 110.37 16.95 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 108.362 -0.977 . . . . 71.35 108.362 166.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.7 mm -92.4 114.37 29.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 108.81 -0.811 . . . . 74.23 108.81 175.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 31' ' ' ASP . 13.6 tmtt? -90.45 128.66 36.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.213 -1.032 . . . . 65.43 108.213 170.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.3 t -160.57 115.88 2.25 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.197 -1.038 . . . . 73.12 108.197 173.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -94.82 -17.5 22.05 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.622 0.769 . . . . 72.5 110.454 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -88.97 112.0 22.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.154 0.581 . . . . 74.32 109.993 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -58.4 -25.22 61.86 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.378 1.071 . . . . 73.3 113.569 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -69.13 -38.83 79.04 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.636 0.374 . . . . 71.33 110.203 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.68 -39.46 91.5 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 123.674 0.609 . . . . 74.22 110.621 175.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 8' ' ' ASN . 6.5 mp -68.77 -41.02 79.4 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.834 0.454 . . . . 75.3 111.48 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.549 ' HZ1' ' HB3' ' A' ' 65' ' ' LYS . 4.9 mmmp? -60.8 -57.52 12.3 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.926 0.49 . . . . 73.43 110.19 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.13 -40.12 73.29 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 124.256 0.972 . . . . 64.35 111.57 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.483 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 35.7 ttm -60.11 -56.85 16.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.858 0.863 . . . . 75.44 110.627 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.551 HD22 HD12 ' A' ' 71' ' ' ILE . 95.8 mt -69.15 -20.78 64.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.918 0.887 . . . . 72.51 112.034 -175.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -75.49 -33.71 60.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.217 0.607 . . . . 72.44 110.552 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.439 ' HB2' ' SD ' ' A' ' 42' ' ' MET . 95.0 mt -78.64 -29.9 46.08 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.887 0.375 . . . . 71.13 110.511 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.551 HD12 HD22 ' A' ' 68' ' ' LEU . 76.9 mt -74.38 -21.13 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.949 0.9 . . . . 74.03 110.161 174.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 t -57.83 -20.94 39.64 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.787 0.662 . . . . 72.43 112.787 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -86.34 -34.3 20.31 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.107 0.563 . . . . 74.33 111.297 174.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.5 mt -82.97 -51.23 7.77 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.677 0.791 . . . . 74.12 110.772 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.38 33.07 57.13 Favored Glycine 0 C--N 1.342 0.896 0 CA-C-N 115.194 -0.912 . . . . 73.34 114.398 171.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -85.46 168.16 14.82 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 117.294 0.547 . . . . 74.13 110.627 173.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.403 ' H ' ' HE1' ' A' ' 1' ' ' MET . 73.3 mmtt -75.45 105.11 6.3 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.577 -0.738 . . . . 75.25 111.282 -176.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.412 HG12 HD21 ' A' ' 68' ' ' LEU . 39.8 t -98.25 131.8 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 108.443 -0.947 . . . . 73.42 108.443 170.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -112.87 107.34 15.89 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.243 -1.021 . . . . 74.3 108.243 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.453 HD12 ' HB3' ' A' ' 6' ' ' LEU . 30.6 tp -105.11 141.92 35.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.488 0.715 . . . . 75.2 110.018 -172.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.421 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 33.1 tp -133.13 112.38 11.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.856 0.862 . . . . 72.42 109.497 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.458 HD23 ' HB3' ' A' ' 8' ' ' ASN . 66.2 mt -94.75 93.15 7.34 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.461 1.104 . . . . 73.43 108.951 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB2' ' HB ' ' A' ' 9' ' ' THR . . . -103.39 107.8 18.77 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.39 0.676 . . . . 71.22 111.235 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.523 ' HB3' HD12 ' A' ' 90' ' ' LEU . 25.9 t70 -178.17 158.11 1.16 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.56 1.144 . . . . 62.31 109.038 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -79.74 54.66 1.86 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.937 0.895 . . . . 74.3 110.703 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -143.05 117.1 9.44 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.544 0.737 . . . . 72.33 109.288 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.9 -35.46 16.5 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 122.82 0.448 . . . . 73.1 110.044 170.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -56.89 -67.71 0.29 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.495 0.554 . . . . 72.42 112.495 -167.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -79.47 -36.26 39.01 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 119.515 -0.279 . . . . 74.02 111.448 -174.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 84' ' ' ASP . 60.7 mt -64.67 -43.43 93.6 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 111.831 0.308 . . . . 74.3 111.831 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 23.6 tt0 -70.9 -20.14 62.53 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.956 0.502 . . . . 73.22 110.881 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -82.0 -44.88 16.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.712 0.405 . . . . 75.44 110.433 172.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.415 ' O ' HG12 ' A' ' 97' ' ' ILE . 75.1 t80 -57.43 -48.4 79.24 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.671 1.188 . . . . 74.42 110.548 -176.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -24.52 67.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.909 -1.042 . . . . 75.15 112.717 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 78.1 mtp180 -66.13 -38.64 88.64 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.833 0.453 . . . . 63.54 110.601 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.71 -31.19 52.2 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.826 0.85 . . . . 74.41 110.581 -178.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.469 HG22 ' HB2' ' A' ' 102' ' ' TYR . 24.9 mm -71.44 -45.36 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 109.404 -0.591 . . . . 74.02 109.404 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.11 -30.3 69.43 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 114.944 -1.026 . . . . 65.14 110.384 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.7 t -64.05 -34.92 79.13 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.332 0.653 . . . . 72.1 111.396 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -79.82 -5.75 56.02 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.662 0.785 . . . . 73.24 111.7 177.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.74 19.65 39.87 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 116.322 -0.399 . . . . 61.43 113.254 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.469 ' HB2' HG22 ' A' ' 97' ' ' ILE . 26.2 m-85 -94.81 151.23 19.41 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 117.117 0.458 . . . . 72.21 109.928 176.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.82 125.83 29.95 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.209 -1.034 . . . . 73.54 108.209 174.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.48 142.83 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 122.959 0.504 . . . . 71.41 110.768 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -134.68 143.32 47.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.24 1.016 . . . . 75.41 109.693 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.36 131.48 52.75 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 107.769 -1.197 . . . . 75.24 107.769 175.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.0 m -138.62 167.3 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.377 1.071 . . . . 70.44 109.741 169.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.4 p -121.32 -46.45 2.29 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.075 0.95 . . . . 73.35 109.739 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -82.87 159.15 22.44 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.212 0.53 . . . . 73.11 112.13 -172.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.32 -59.05 3.48 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.878 1.271 . . . . 61.13 110.719 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.37 -29.64 70.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.216 0.606 . . . . 73.1 110.979 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.518 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -68.68 -37.25 79.44 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 123.967 0.907 . . . . 74.23 110.189 176.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.41 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -67.5 -46.99 71.29 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.061 0.144 . . . . 74.33 111.165 175.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.414 HD11 ' HE2' ' A' ' 17' ' ' LYS . 94.8 mt -58.27 -38.75 77.59 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.08 0.952 . . . . 74.25 111.894 -177.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.566 ' HZ2' ' HB2' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -72.22 -31.62 66.01 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.337 0.255 . . . . 75.51 111.155 -179.13 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.518 HG12 ' O ' ' A' ' 112' ' ' GLU . 49.1 mm -75.19 -31.02 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 122.639 0.375 . . . . 73.43 110.721 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 113' ' ' ALA . 98.9 t -58.77 -38.95 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 122.918 0.487 . . . . 72.0 109.707 170.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -72.73 -31.36 64.9 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.503 -0.771 . . . . 72.41 111.002 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.615 ' HB3' ' HZ3' ' A' ' 123' ' ' LYS . 64.2 mm-40 -65.16 -38.02 89.23 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.879 0.472 . . . . 74.33 110.923 173.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.421 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 20.1 m-85 -63.16 -25.52 68.39 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.486 0.715 . . . . 73.4 112.144 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.406 ' HE2' ' HG3' ' A' ' 25' ' ' GLN . 19.8 mmt -70.94 -29.49 65.53 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.814 0.446 . . . . 75.42 110.656 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -80.48 -35.83 34.24 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.176 0.59 . . . . 71.4 110.087 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.615 ' HZ3' ' HB3' ' A' ' 119' ' ' GLU . 53.8 mttp -71.42 -37.68 71.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.413 1.085 . . . . 74.32 110.899 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.438 ' HB1' HD12 ' A' ' 3' ' ' ILE . . . -76.37 -29.95 57.38 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.713 0.805 . . . . 75.33 110.18 174.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.58 -19.69 74.93 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-N 115.529 -0.759 . . . . 71.34 112.823 173.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.5 t -71.65 -29.17 64.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.238 0.615 . . . . 63.14 110.658 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 45.4 mt . . . . . 0 N--CA 1.48 1.035 0 C-N-CA 123.84 0.856 . . . . 72.33 110.527 -179.046 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 tpt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.289 -0.634 . . . . 75.24 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.497 ' HZ1' ' HB3' ' A' ' 52' ' ' GLU . 22.1 tttp -155.35 154.94 32.81 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.388 -0.967 . . . . 75.15 108.388 -177.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 53' ' ' LYS . 61.0 mt -118.68 107.58 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 108.521 -0.918 . . . . 74.32 108.521 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.3 mp -111.29 134.29 52.99 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.066 -0.716 . . . . 75.43 109.066 176.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.481 HG12 ' HB2' ' A' ' 79' ' ' PHE . 39.5 mt -114.79 115.3 49.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 108.15 -1.055 . . . . 70.44 108.15 171.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.467 ' HB3' HD21 ' A' ' 64' ' ' LEU . 80.3 mt -90.42 126.71 35.98 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.634 0.774 . . . . 71.51 109.039 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.4 mm -113.91 115.7 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 108.988 -0.745 . . . . 74.15 108.988 174.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -123.04 102.59 8.08 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.583 -0.895 . . . . 72.2 108.583 174.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 83' ' ' ALA . 14.9 t -130.61 148.14 52.37 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.965 -0.561 . . . . 75.13 110.602 173.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -64.69 -43.63 92.9 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.102 -0.954 . . . . 72.51 110.43 175.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -86.15 105.67 16.72 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.439 0.638 . . . . 73.42 111.124 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.16 -32.82 70.23 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.643 1.177 . . . . 73.25 112.462 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.45 -31.53 70.52 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.579 1.152 . . . . 74.13 112.248 -177.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.1 -44.33 89.16 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.584 0.753 . . . . 74.34 110.794 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.531 HG21 ' HG2' ' A' ' 57' ' ' LYS . 10.0 mt -65.08 -35.56 75.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 O-C-N 123.503 0.502 . . . . 73.13 110.077 -175.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -46.61 -42.2 15.76 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.918 0.887 . . . . 73.12 111.512 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -79.03 -39.36 34.21 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.615 -1.175 . . . . 73.03 111.203 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.94 -32.75 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 123.629 0.772 . . . . 74.24 110.743 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HG2' HG13 ' A' ' 29' ' ' VAL . 60.5 mtpt -66.98 -51.56 53.59 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.88 0.872 . . . . 64.21 109.415 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -57.81 -35.55 71.0 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.446 0.698 . . . . 75.34 111.222 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.93 -53.47 49.87 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.426 1.09 . . . . 74.24 111.005 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 55' ' ' LEU . 28.9 m -72.01 -26.45 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 111.96 0.355 . . . . 73.41 111.96 -175.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.03 -26.3 67.46 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.74 0.816 . . . . 74.24 111.513 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -60.08 -33.23 71.8 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.487 0.715 . . . . 74.0 110.683 171.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -95.39 10.42 36.4 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.876 0.87 . . . . 72.12 111.964 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.81 19.62 77.43 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.241 -0.436 . . . . 63.1 113.93 173.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -75.36 133.99 41.08 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.734 0.414 . . . . 74.11 110.068 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -79.18 122.31 26.12 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 108.081 -1.081 . . . . 71.05 108.081 175.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.541 HG13 ' HG2' ' A' ' 19' ' ' LYS . 13.3 t -101.59 143.64 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 118.167 0.44 . . . . 64.04 110.105 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -131.8 141.29 49.43 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.61 1.164 . . . . 75.32 108.807 173.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 20.1 m-20 -108.73 117.03 33.12 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.287 1.035 . . . . 71.11 108.753 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.39 132.42 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.351 1.06 . . . . 70.2 108.968 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -111.65 -51.79 2.83 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.88 0.872 . . . . 75.11 109.612 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -119.4 161.42 20.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.73 0.812 . . . . 75.32 111.964 -167.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 p -66.94 -29.49 69.37 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.689 1.596 . . . . 73.23 113.429 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.42 -40.18 89.4 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 110.256 -0.275 . . . . 62.4 110.256 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.63 -34.57 78.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.503 0.321 . . . . 75.03 110.486 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.537 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 52.3 tp -59.42 -54.25 48.78 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 124.189 0.931 . . . . 75.13 110.736 176.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.97 -33.8 76.65 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 111.457 0.169 . . . . 72.32 111.457 -177.026 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -64.16 -45.43 88.49 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.228 -0.442 . . . . 72.41 111.482 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 8.3 pt-20 -70.57 -32.7 70.2 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 110.016 -0.364 . . . . 74.32 110.016 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.581 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 85.4 mmm -65.96 -29.92 70.39 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.494 0.318 . . . . 75.3 111.586 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HD2' ' O ' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -60.6 -50.32 73.99 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 123.672 0.608 . . . . 74.21 109.494 168.55 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -63.47 -37.91 89.1 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 115.386 -0.824 . . . . 65.34 111.909 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 HD11 ' SD ' ' A' ' 42' ' ' MET . 80.1 mt -75.78 -30.31 59.07 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.013 0.925 . . . . 73.52 110.325 -177.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.61 -41.91 71.64 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.606 0.762 . . . . 73.51 111.06 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.65 -42.92 60.72 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.043 -0.98 . . . . 71.04 111.13 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -80.37 84.41 6.02 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.703 0.763 . . . . 74.13 110.374 -170.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -73.23 -10.63 59.97 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 114.299 -1.319 . . . . 75.44 111.728 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -56.55 130.51 45.4 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.491 1.117 . . . . 55.14 111.312 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -67.41 94.93 0.42 Allowed 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.471 1.107 . . . . 73.43 108.931 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.497 ' HB3' ' HZ1' ' A' ' 2' ' ' LYS . 40.7 tt0 -141.24 143.41 34.13 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.349 -0.841 . . . . 73.12 109.651 -172.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -103.87 114.27 28.41 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.837 -0.801 . . . . 71.1 108.837 -176.631 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.6 mt -122.3 127.37 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.388 0.675 . . . . 73.1 109.953 -176.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.622 HD12 HG11 ' A' ' 22' ' ' VAL . 14.5 tp -89.78 114.95 26.74 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.176 -1.046 . . . . 74.51 108.176 171.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.446 HG21 ' HE1' ' A' ' 67' ' ' MET . 45.3 mm -93.58 118.09 38.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 108.858 -0.793 . . . . 74.1 108.858 173.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.531 ' HG2' HG21 ' A' ' 15' ' ' ILE . 14.1 tmtt? -92.36 121.4 33.81 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 107.475 -1.306 . . . . 74.51 107.475 176.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.6 t -157.74 116.67 3.21 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.559 -0.534 . . . . 75.12 109.559 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -82.29 -15.5 52.75 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.544 0.738 . . . . 73.34 110.74 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -98.35 105.96 18.17 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.869 0.868 . . . . 74.21 109.957 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.447 ' HA ' HD11 ' A' ' 64' ' ' LEU . 25.1 pttm -61.13 -25.4 66.96 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.42 1.088 . . . . 75.23 113.708 -172.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.573 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 54.5 mt-30 -66.79 -36.08 81.57 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.052 0.541 . . . . 74.14 110.849 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.15 -40.47 93.96 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 115.169 -0.923 . . . . 75.44 110.655 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 6' ' ' LEU . 6.0 mp -69.58 -34.54 74.3 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.351 0.66 . . . . 55.44 111.252 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.573 ' HE3' ' HA ' ' A' ' 62' ' ' GLN . 8.8 mtmp? -63.85 -50.43 68.88 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 120.898 0.38 . . . . 73.25 110.253 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -69.16 -27.85 65.89 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.116 -0.947 . . . . 74.33 111.535 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.581 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 39.6 ttm -64.77 -49.33 71.17 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.372 -0.831 . . . . 74.33 109.734 174.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.05 -23.87 65.02 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.107 0.963 . . . . 75.45 112.08 -177.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.25 -44.77 92.36 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.72 0.772 . . . . 75.45 110.641 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.521 ' HB2' ' HE3' ' A' ' 42' ' ' MET . 41.8 mt -85.12 -28.51 25.52 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.551 -1.204 . . . . 75.15 111.194 -175.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.533 HG23 HG23 ' A' ' 78' ' ' VAL . 71.2 mt -67.94 -31.72 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.474 0.71 . . . . 73.53 109.65 172.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.5 t -63.02 -23.42 67.44 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.917 0.887 . . . . 74.11 111.461 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -77.9 -37.94 46.81 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.368 0.667 . . . . 75.3 110.207 175.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -78.07 -43.5 28.99 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.922 0.889 . . . . 73.52 111.411 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.85 73.5 1.07 Allowed Glycine 0 C--N 1.341 0.849 0 CA-C-N 115.788 -0.642 . . . . 75.35 113.706 174.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -146.2 175.7 10.3 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.42 0.688 . . . . 73.44 110.531 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -81.77 126.1 31.43 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.056 0.942 . . . . 75.35 111.301 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.533 HG23 HG23 ' A' ' 71' ' ' ILE . 76.3 t -126.03 136.02 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 114.885 -1.052 . . . . 75.53 109.317 174.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.481 ' HB2' HG12 ' A' ' 5' ' ' ILE . 89.3 m-85 -111.97 110.96 21.55 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 124.426 1.09 . . . . 73.1 108.423 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.8 tp -103.01 132.52 49.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 123.716 0.806 . . . . 71.55 109.663 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.454 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 26.5 tp -122.52 117.23 25.41 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.464 -0.939 . . . . 72.33 108.464 175.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 90' ' ' LEU . 77.7 mt -101.23 135.64 42.38 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.956 1.303 . . . . 74.33 107.896 176.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.513 ' HB2' ' HB ' ' A' ' 9' ' ' THR . . . -147.47 112.69 5.53 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.775 0.43 . . . . 74.55 110.41 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -171.16 146.19 2.35 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.775 -0.824 . . . . 64.22 108.775 178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -71.6 -28.26 63.69 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 124.066 0.854 . . . . 74.54 110.316 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.53 67.39 4.29 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 107.921 -1.14 . . . . 72.24 107.921 165.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -71.97 -22.81 61.39 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 113.954 -1.475 . . . . 75.34 112.122 -171.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -57.92 -36.03 71.9 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.496 1.118 . . . . 72.21 110.998 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.82 -52.51 63.86 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.905 -1.043 . . . . 71.21 110.843 172.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' ' 82' ' ' LEU . 82.3 mt -80.84 -13.32 59.05 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.36 -0.836 . . . . 73.4 112.188 -172.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -85.58 -21.37 28.53 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.909 0.884 . . . . 75.12 109.274 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -87.76 -40.82 13.76 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.164 0.585 . . . . 73.2 110.785 166.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -54.99 -45.08 74.98 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.562 1.145 . . . . 75.41 110.21 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 95' ' ' ARG . 15.5 ptpt -58.12 -39.13 77.91 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 124.121 0.888 . . . . 75.14 111.694 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.48 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 79.1 mtp180 -67.34 -32.85 74.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.336 0.654 . . . . 73.43 110.709 -173.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -74.77 -39.8 61.56 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.94 0.896 . . . . 73.41 110.462 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 102' ' ' TYR . 37.3 mm -75.76 -31.92 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.129 0.572 . . . . 73.32 110.981 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -71.13 -34.76 71.33 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.526 1.131 . . . . 74.34 108.808 175.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.8 t -66.76 -33.33 75.38 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.283 0.633 . . . . 74.51 110.331 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -76.13 -5.31 46.04 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.657 0.783 . . . . 71.54 111.636 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.99 29.18 32.16 Favored Glycine 0 C--N 1.351 1.395 0 C-N-CA 122.796 0.236 . . . . 43.15 113.44 172.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.513 ' HB2' HG23 ' A' ' 97' ' ' ILE . 90.3 m-85 -108.81 157.0 18.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.291 0.636 . . . . 74.13 109.771 175.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.82 121.36 25.29 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.425 -0.954 . . . . 75.11 108.425 172.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.7 p -140.59 135.97 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.682 0.793 . . . . 71.45 110.864 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -131.09 147.03 52.57 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.739 0.816 . . . . 73.1 109.698 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.527 ' HZ1' ' HB3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -112.62 134.08 54.33 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 108.162 -1.051 . . . . 72.1 108.162 177.601 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 28.7 m -133.78 171.78 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 125.316 1.446 . . . . 75.33 108.445 173.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.5 p -134.23 -23.81 1.67 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.553 0.741 . . . . 75.34 111.071 -175.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -113.05 162.56 15.76 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.187 0.518 . . . . 61.2 110.708 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.66 -57.32 5.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.269 -1.332 . . . . 72.02 111.204 -176.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.53 -27.77 69.39 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.543 -0.753 . . . . 74.21 111.712 -178.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -69.2 -44.95 71.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.241 1.016 . . . . 73.52 110.442 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.22 -43.9 95.64 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.447 -0.797 . . . . 51.5 111.124 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.24 -28.56 68.13 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.308 1.043 . . . . 65.5 112.174 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.29 -51.62 59.55 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.07 0.548 . . . . 64.3 109.577 172.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.41 ' HA ' ' HG2' ' A' ' 119' ' ' GLU . 28.7 mm -69.98 -29.75 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 114.626 -1.17 . . . . 74.14 111.87 -170.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.486 HG11 ' HE1' ' A' ' 121' ' ' MET . 99.5 t -56.67 -43.08 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.852 0.861 . . . . 73.42 110.182 173.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.01 -29.02 62.71 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.266 -0.879 . . . . 75.15 111.349 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' A' ' 116' ' ' ILE . 9.2 mm-40 -65.44 -46.96 77.82 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 109.769 -0.456 . . . . 72.01 109.769 176.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.454 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 26.1 m-85 -55.77 -36.91 67.85 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.616 0.766 . . . . 54.3 111.983 176.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.486 ' HE1' HG11 ' A' ' 117' ' ' VAL . 66.9 mtt -61.87 -34.05 75.3 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.103 0.877 . . . . 74.42 111.819 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -67.3 -47.84 69.41 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.968 0.907 . . . . 74.13 110.633 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -28.09 62.89 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 115.841 -0.618 . . . . 65.12 110.209 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.9 -25.09 58.68 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.633 0.773 . . . . 74.53 110.007 173.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -67.33 -35.01 86.96 Favored Glycine 0 C--N 1.356 1.644 0 O-C-N 123.672 0.607 . . . . 60.45 112.045 175.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.3 m -66.32 -20.08 65.99 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.233 0.613 . . . . 73.44 111.795 173.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.479 0.983 0 C-N-CA 123.714 0.806 . . . . 65.12 109.598 174.947 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.475 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 14.8 tpt . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.273 -0.64 . . . . 72.44 109.273 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.591 ' HZ1' ' HA ' ' A' ' 45' ' ' LEU . 11.2 ptpt -118.89 136.76 53.88 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.261 0.624 . . . . 74.14 110.215 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.543 HD13 ' HB1' ' A' ' 124' ' ' ALA . 70.0 mt -94.06 105.12 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.019 0.928 . . . . 75.42 109.169 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.434 HD11 ' HD3' ' A' ' 2' ' ' LYS . 11.1 mp -100.33 127.1 46.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.443 0.697 . . . . 75.35 110.198 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 60.2 mt -105.4 104.37 16.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 107.182 -1.414 . . . . 73.24 107.182 165.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.2 127.56 35.44 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.077 -1.083 . . . . 73.24 108.077 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.5 HG13 HG21 ' A' ' 18' ' ' ILE . 44.4 mm -122.35 121.94 65.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.77 0 C-N-CA 123.948 0.899 . . . . 75.33 109.508 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.517 ' HB2' HD23 ' A' ' 64' ' ' LEU . 33.7 t30 -126.48 101.25 6.6 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 107.954 -1.128 . . . . 65.04 107.954 170.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' A' ' 83' ' ' ALA . 2.7 t -130.87 139.49 50.13 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.386 -0.825 . . . . 72.02 109.282 171.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -75.67 -18.1 59.75 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 109.305 -0.628 . . . . 74.02 109.305 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -79.41 88.71 5.0 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.144 -1.428 . . . . 73.43 107.144 170.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.75 -21.96 65.25 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.381 0.672 . . . . 75.43 111.541 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -77.66 -29.26 51.49 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.057 0.943 . . . . 74.42 110.965 174.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.55 -30.54 70.87 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.014 0.526 . . . . 74.24 110.152 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.564 HG21 ' HG3' ' A' ' 57' ' ' LYS . 63.4 mt -59.95 -40.08 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 122.909 0.484 . . . . 72.53 110.275 173.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 14.6 mmmm -63.49 -31.32 72.45 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.697 0.623 . . . . 73.34 111.138 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HE2' HD11 ' A' ' 114' ' ' LEU . 45.3 mtpt -75.62 -43.67 46.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.545 0.738 . . . . 74.1 110.51 177.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.5 HG21 HG13 ' A' ' 7' ' ' ILE . 84.5 mt -62.11 -30.61 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 114.823 -1.08 . . . . 74.11 110.205 175.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 25.0 mtpp -61.58 -51.25 69.3 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-O 118.371 -0.823 . . . . 72.1 109.257 171.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -52.94 -41.08 64.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 123.504 0.502 . . . . 72.24 111.02 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.5 -52.89 63.75 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.277 0.985 . . . . 72.51 110.903 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.626 HG11 HD13 ' A' ' 55' ' ' LEU . 14.1 m -78.88 -24.19 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 N-CA-C 112.755 0.65 . . . . 75.21 112.755 -173.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 64.6 mm-40 -69.29 -39.2 78.46 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.815 0.846 . . . . 75.23 109.497 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -67.21 -21.67 65.75 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.902 -1.045 . . . . 65.35 111.309 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -102.89 -0.27 31.41 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.799 0.84 . . . . 73.54 111.327 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.77 37.15 27.07 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 115.127 0.811 . . . . 73.53 115.127 171.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.503 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 7.8 m-85 -89.95 135.92 33.36 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.212 0.605 . . . . 74.51 109.908 174.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -82.28 115.02 21.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.865 0.866 . . . . 75.3 109.204 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.9 t -81.97 108.48 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.662 0.385 . . . . 75.04 110.516 -176.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -97.78 162.59 13.19 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.407 1.483 . . . . 73.11 109.205 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.57 123.23 8.57 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.262 0.553 . . . . 70.41 111.589 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.47 HG12 HD13 ' A' ' 63' ' ' LEU . 26.9 t -95.83 122.29 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.802 0.841 . . . . 73.14 109.467 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -103.24 -34.91 8.64 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.091 0.556 . . . . 73.12 111.838 -177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -147.72 170.28 17.9 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.343 0.657 . . . . 72.1 110.266 -169.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t -65.38 -37.37 86.81 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.155 0.982 . . . . 74.12 111.952 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.75 -46.65 84.39 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.735 0.814 . . . . 75.54 109.59 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.41 -37.59 84.04 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.946 -1.024 . . . . 74.43 110.59 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 67' ' ' MET . 67.9 tp -58.34 -56.67 19.03 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.82 0.848 . . . . 74.31 110.704 -177.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -32.36 73.9 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 123.848 0.718 . . . . 62.43 111.513 -176.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -58.01 -48.39 80.18 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.402 0.62 . . . . 73.32 111.65 172.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -75.55 -23.68 56.63 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.884 -1.053 . . . . 75.42 111.077 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.473 ' SD ' HD13 ' A' ' 45' ' ' LEU . 72.9 mmm -71.4 -31.71 67.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.148 0.579 . . . . 74.41 110.143 173.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -37.46 87.55 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 115.992 -0.549 . . . . 72.24 109.723 174.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -64.72 -36.75 85.31 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.525 0.516 . . . . 75.14 111.092 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.591 ' HA ' ' HZ1' ' A' ' 2' ' ' LYS . 76.6 mt -69.09 -28.04 66.14 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 122.781 0.432 . . . . 74.43 110.88 176.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.43 -40.35 30.13 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.683 0.793 . . . . 75.34 111.747 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -74.53 -52.52 11.66 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.988 0.915 . . . . 73.1 111.354 -175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' HE3' ' A' ' 2' ' ' LYS . 41.1 mt-10 -77.98 94.26 4.59 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.591 -0.732 . . . . 72.25 109.326 -177.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -93.02 -16.15 25.37 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.751 0.82 . . . . 74.04 110.058 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -62.25 147.97 46.32 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.838 0.855 . . . . 74.25 110.437 175.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.475 ' HA ' ' O ' ' A' ' 1' ' ' MET . 79.2 t80 -65.47 120.36 12.71 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.554 0.742 . . . . 74.2 110.477 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -154.94 145.93 22.63 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.441 0.639 . . . . 73.03 110.972 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 6.6 mtmp? -97.04 120.95 38.35 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.395 1.478 . . . . 75.21 108.808 177.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.7 mt -125.8 136.77 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.647 0.779 . . . . 74.33 109.953 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.626 HD13 HG11 ' A' ' 22' ' ' VAL . 24.0 tp -100.16 113.05 25.42 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.343 -0.984 . . . . 74.12 108.343 169.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.6 mm -92.65 110.43 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.221 -0.659 . . . . 73.31 109.221 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.564 ' HG3' HG21 ' A' ' 15' ' ' ILE . 6.3 tmtm? -93.87 119.16 32.43 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.639 0.776 . . . . 63.44 108.955 174.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.5 t -156.94 118.41 3.75 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.384 -0.969 . . . . 61.51 108.384 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -94.73 8.46 42.44 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.235 1.014 . . . . 72.32 111.318 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' HB3' HD11 ' A' ' 63' ' ' LEU . 28.8 t70 -108.9 101.9 10.96 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.79 -0.819 . . . . 74.53 108.79 173.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -18.78 49.9 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 113.887 1.069 . . . . 71.21 113.887 -174.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -69.91 -46.35 65.6 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.746 -0.465 . . . . 74.54 109.746 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.47 HD13 HG12 ' A' ' 32' ' ' VAL . 83.4 mt -55.69 -35.62 66.26 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 124.002 0.814 . . . . 71.4 111.288 176.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 8' ' ' ASN . 11.2 mp -64.24 -53.25 52.1 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.827 0.851 . . . . 74.0 111.496 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -60.88 -47.18 87.56 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.925 0.766 . . . . 75.13 109.981 -174.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.05 -37.13 86.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.89 -1.05 . . . . 75.13 111.317 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.422 ' HB2' HD12 ' A' ' 38' ' ' LEU . 33.9 ttm -59.28 -51.84 68.24 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.056 0.942 . . . . 73.42 110.276 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.531 HD23 HD13 ' A' ' 71' ' ' ILE . 96.2 mt -66.28 -32.44 73.85 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.362 1.039 . . . . 73.22 111.793 -175.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.57 -30.57 70.22 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.232 0.613 . . . . 74.11 111.058 175.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.8 mt -84.58 -26.8 27.71 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.09 0.556 . . . . 74.24 111.31 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.531 HD13 HD23 ' A' ' 68' ' ' LEU . 58.7 mt -69.74 -22.63 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.625 0.77 . . . . 72.43 109.987 173.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.4 m -60.65 -20.6 61.25 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.566 0.746 . . . . 73.42 112.023 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.73 -28.83 40.47 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.753 0.821 . . . . 74.34 111.057 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.1 mt -85.62 -48.33 8.99 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.848 0.859 . . . . 71.2 110.707 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.4 80.67 0.77 Allowed Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.936 -0.575 . . . . 63.43 113.544 173.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -152.29 167.07 29.83 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.183 0.593 . . . . 61.13 110.89 172.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -73.57 111.19 8.48 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.009 -0.996 . . . . 73.01 110.125 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.402 HG21 HG21 ' A' ' 71' ' ' ILE . 23.0 t -108.5 139.95 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.782 -0.822 . . . . 73.11 108.782 172.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.559 ' HA ' ' HB3' ' A' ' 103' ' ' GLU . 94.0 m-85 -103.91 146.96 27.9 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.629 1.172 . . . . 74.53 107.974 176.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.9 tp -142.28 139.27 31.83 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.874 0.47 . . . . 73.12 110.053 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.9 tp -129.66 134.95 47.96 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.405 1.082 . . . . 73.3 109.118 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.508 ' HB3' HD22 ' A' ' 90' ' ' LEU . 80.9 mt -121.42 110.36 15.98 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.51 1.124 . . . . 73.25 108.425 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.536 ' HB2' ' HB ' ' A' ' 9' ' ' THR . . . -126.32 110.92 13.93 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 121.307 0.575 . . . . 64.44 111.109 -178.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.527 ' HB3' HD11 ' A' ' 90' ' ' LEU . 20.8 t70 -170.78 153.7 4.1 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.246 0.618 . . . . 74.31 109.866 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -71.36 -24.18 62.04 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.921 0.889 . . . . 71.5 111.172 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -86.61 68.87 10.29 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 107.133 -1.432 . . . . 71.45 107.133 167.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.525 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -72.1 -14.05 61.74 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 114.333 -1.303 . . . . 73.32 111.248 178.515 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -57.87 -53.7 55.27 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.654 1.181 . . . . 71.3 110.681 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -72.62 -27.9 62.43 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.086 0.241 . . . . 75.23 111.606 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 84' ' ' ASP . 79.8 mt -68.65 -36.68 78.9 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.826 0.45 . . . . 75.4 110.44 175.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 10.1 tp10 -70.45 -29.56 66.16 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 123.758 0.661 . . . . 74.24 110.094 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -39.2 39.63 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.205 0.602 . . . . 74.22 109.555 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -68.5 -41.18 80.42 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.865 -0.607 . . . . 72.42 111.895 -177.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -24.81 67.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.592 0.357 . . . . 73.14 111.373 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 2.2 mmp_? -62.25 -39.48 93.0 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 123.724 0.809 . . . . 75.01 111.426 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -68.76 -51.33 42.37 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 109.681 -0.489 . . . . 74.12 109.681 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.462 HD13 HD13 ' A' ' 68' ' ' LEU . 35.1 mm -63.94 -39.46 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 114.578 -1.192 . . . . 74.33 111.352 -170.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -69.79 -32.62 71.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.242 1.017 . . . . 72.21 110.352 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.8 m -76.25 -27.64 56.8 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.369 0.668 . . . . 73.14 111.288 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -73.5 -13.57 61.07 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.51 0.724 . . . . 63.44 110.81 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.55 31.44 21.7 Favored Glycine 0 C--N 1.346 1.13 0 O-C-N 123.261 0.351 . . . . 73.24 112.34 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -112.51 145.63 39.91 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.329 0.652 . . . . 75.55 109.992 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.559 ' HB3' ' HA ' ' A' ' 79' ' ' PHE . 8.4 tp10 -68.17 119.95 13.57 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 115.34 -0.846 . . . . 71.43 108.928 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.7 p -138.99 133.89 41.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 O-C-N 123.705 0.628 . . . . 74.35 109.413 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -130.12 119.54 23.18 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.621 0.769 . . . . 74.44 109.221 -174.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.525 ' HE3' ' HB2' ' A' ' 87' ' ' GLU . 1.5 tmtp? -94.87 120.32 34.9 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.032 0.933 . . . . 75.31 108.77 -177.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -139.0 -174.88 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.768 1.227 . . . . 70.02 109.125 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.7 p -139.53 -54.55 0.56 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.236 1.015 . . . . 60.13 109.889 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -73.89 158.37 34.59 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.411 -1.268 . . . . 63.41 112.007 -166.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.04 -59.6 5.21 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.795 1.238 . . . . 73.31 111.577 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.03 -23.96 48.01 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.244 0.218 . . . . 71.11 110.719 -174.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.7 tt0 -66.27 -34.35 77.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.376 0.67 . . . . 71.34 110.256 174.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.49 -50.06 35.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.836 0.454 . . . . 62.43 110.956 173.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.42 HD11 ' HE2' ' A' ' 17' ' ' LYS . 96.0 mt -58.52 -36.77 74.35 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.845 0.858 . . . . 75.44 112.529 -175.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -65.98 -37.05 84.97 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 123.433 0.458 . . . . 74.52 110.748 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 112' ' ' GLU . 20.4 mm -72.02 -30.14 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 O-C-N 123.472 0.482 . . . . 74.22 110.306 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.35 -43.38 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.291 0.636 . . . . 73.21 110.07 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -65.72 -30.58 71.27 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.498 -0.774 . . . . 75.23 110.465 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.407 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 37.9 mt-10 -70.84 -41.44 71.48 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 123.38 0.672 . . . . 72.54 111.167 174.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -55.23 -24.23 26.54 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 118.386 0.539 . . . . 74.03 112.037 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.419 ' HE1' HG13 ' A' ' 22' ' ' VAL . 18.7 mmt -68.42 -49.6 58.8 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.533 0.733 . . . . 74.34 110.373 174.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 19.1 pt20 -77.25 -23.15 51.3 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.132 0.573 . . . . 75.21 111.44 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 6.1 mptp? -70.33 -42.83 71.42 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.798 0.839 . . . . 75.33 108.768 172.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.543 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -67.22 -13.59 62.11 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.376 -0.829 . . . . 72.33 111.697 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.78 -29.11 71.31 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.453 0.47 . . . . 52.43 113.452 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.0 p -73.84 -29.45 62.13 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.678 0.391 . . . . 72.1 110.171 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.86 -35.7 72.52 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.073 0.949 . . . . 75.33 109.694 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.52 -41.69 83.99 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.914 -1.039 . . . . 62.34 110.204 175.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -85.51 74.43 10.32 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.631 0.729 . . . . 74.05 111.047 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -133.41 91.13 2.81 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 107.723 -1.214 . . . . 75.43 107.723 168.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 66.21 9.93 6.72 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.47 1.108 . . . . 74.12 111.88 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -90.85 83.23 5.67 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.314 0.645 . . . . 73.54 109.741 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -75.86 163.11 27.55 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.671 -0.695 . . . . 54.24 110.581 177.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 43.4 m80 . . . . . 0 C--O 1.254 1.303 0 N-CA-C 108.056 -1.091 . . . . 71.14 108.056 170.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.696 ' HG2' ' HB3' ' A' ' 127' ' ' LEU . 56.5 tpp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.457 -0.571 . . . . 74.21 109.457 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.494 ' HD3' HD22 ' A' ' 45' ' ' LEU . 24.1 ttmm -88.9 115.62 26.59 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.319 -0.993 . . . . 72.55 108.319 175.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.529 HD11 ' HB2' ' A' ' 124' ' ' ALA . 66.2 mt -95.63 105.76 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.501 0.72 . . . . 72.52 110.012 -173.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.2 mp -103.17 144.4 31.37 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.482 -0.562 . . . . 71.03 109.482 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 79' ' ' PHE . 57.0 mt -122.6 112.31 33.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 107.394 -1.335 . . . . 64.13 107.394 166.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.497 HD22 ' SD ' ' A' ' 67' ' ' MET . 87.5 mt -88.4 121.52 30.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 108.678 -0.86 . . . . 74.43 108.678 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -111.11 115.25 49.38 Favored 'Isoleucine or valine' 0 C--O 1.245 0.867 0 N-CA-C 108.421 -0.955 . . . . 73.13 108.421 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -126.33 101.07 6.56 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 106.964 -1.495 . . . . 72.22 106.964 170.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.555 ' HB ' ' HB2' ' A' ' 83' ' ' ALA . 3.8 t -130.43 144.87 51.67 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 115.007 -0.997 . . . . 72.22 109.874 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -66.0 -37.78 86.81 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.452 -0.795 . . . . 74.41 109.076 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 49.9 t30 -82.96 94.1 7.67 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.014 0.926 . . . . 74.13 109.647 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.23 -21.51 62.11 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.707 0.803 . . . . 73.01 111.846 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -62.21 -34.88 77.31 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.561 0.744 . . . . 73.52 110.459 174.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 11' ' ' ASN . 31.2 tp -62.38 -35.17 78.33 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.328 1.051 . . . . 70.51 112.003 173.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.524 HD11 ' HG2' ' A' ' 57' ' ' LYS . 54.8 mt -65.81 -32.5 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 122.971 0.509 . . . . 71.33 111.208 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -59.53 -36.99 77.2 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.475 0.655 . . . . 74.1 109.859 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.519 ' HE2' HD12 ' A' ' 114' ' ' LEU . 39.7 mtpt -71.96 -48.93 41.58 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.123 -1.398 . . . . 73.14 109.91 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.92 -30.91 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.36 1.064 . . . . 74.24 111.041 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.521 ' HE3' HG12 ' A' ' 29' ' ' VAL . 59.1 mtpt -62.92 -47.67 82.26 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.957 0.503 . . . . 74.43 110.521 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -65.49 -33.08 75.09 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.195 0.198 . . . . 74.43 111.283 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -60.78 -44.14 97.17 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.395 0.678 . . . . 73.14 111.425 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 HD13 ' A' ' 55' ' ' LEU . 16.8 m -81.9 -26.87 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 112.015 0.376 . . . . 72.43 112.015 -177.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.0 -27.41 65.66 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.467 0.707 . . . . 71.34 110.57 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -55.13 -36.88 66.24 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.653 0.781 . . . . 75.11 110.827 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -108.99 7.5 25.89 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.824 0.85 . . . . 74.03 112.239 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.31 38.69 62.65 Favored Glycine 0 C--N 1.347 1.166 0 N-CA-C 115.034 0.774 . . . . 72.21 115.034 171.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.526 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 9.0 m-85 -78.82 150.59 32.27 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 117.148 0.474 . . . . 73.01 110.298 171.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.424 HE21 HG12 ' A' ' 54' ' ' ILE . 8.8 tt0 -87.22 113.18 22.72 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.193 0.997 . . . . 71.21 109.226 177.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.521 HG12 ' HE3' ' A' ' 19' ' ' LYS . 57.9 t -78.17 102.03 4.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 109.273 -0.64 . . . . 75.33 109.273 177.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.674 HH22 HD23 ' A' ' 45' ' ' LEU . 48.9 ttp180 -118.69 132.02 56.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.731 0.812 . . . . 75.54 108.967 172.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -111.37 139.42 46.79 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.224 0.61 . . . . 74.51 110.694 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.503 HG13 HD12 ' A' ' 63' ' ' LEU . 74.7 t -126.67 112.25 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.986 1.314 . . . . 73.51 107.994 174.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -113.75 -5.05 13.32 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.779 0.432 . . . . 73.44 112.051 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -136.61 157.56 46.49 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.844 0.858 . . . . 73.02 110.172 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 m -65.36 -36.2 83.28 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.372 1.069 . . . . 74.34 112.548 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.59 -47.18 86.65 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 123.628 0.58 . . . . 74.33 109.693 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.79 -32.87 74.13 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.835 -1.075 . . . . 73.31 110.684 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 67' ' ' MET . 32.1 tp -62.7 -61.22 2.57 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 124.021 0.826 . . . . 73.11 111.086 177.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.74 -26.7 67.86 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 123.345 0.403 . . . . 73.54 111.748 -174.01 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -60.78 -55.14 36.61 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.128 0.571 . . . . 74.1 111.089 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -74.49 -26.03 59.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.2 0.6 . . . . 73.34 111.11 -177.799 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.689 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -63.9 -39.22 93.68 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.324 0.65 . . . . 64.14 110.95 177.2 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.6 mmtp -66.73 -34.88 78.81 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 123.455 0.472 . . . . 73.41 110.643 175.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -62.88 -35.59 80.51 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.567 0.347 . . . . 75.44 111.343 176.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.674 HD23 HH22 ' A' ' 30' ' ' ARG . 44.5 mt -76.67 -32.15 57.74 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.442 0.697 . . . . 73.51 110.753 179.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.95 -36.69 41.2 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.654 0.782 . . . . 62.4 111.953 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.23 -40.38 52.23 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.047 0.939 . . . . 75.31 110.559 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -123.52 78.05 1.56 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.634 0.774 . . . . 73.11 109.29 -176.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -82.34 72.04 9.4 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 108.458 -0.941 . . . . 63.44 108.458 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -107.72 166.36 10.74 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.389 1.076 . . . . 72.11 109.989 -176.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -66.67 105.66 1.61 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.648 -0.871 . . . . 71.51 108.648 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -151.89 127.22 9.92 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.091 0.556 . . . . 73.24 109.803 -174.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -96.22 120.67 36.93 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.949 0.9 . . . . 73.32 109.245 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.424 HG12 HE21 ' A' ' 28' ' ' GLN . 23.6 mt -130.44 130.85 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.55 0.74 . . . . 75.0 109.553 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.674 HD13 HG13 ' A' ' 22' ' ' VAL . 25.1 tp -93.92 120.19 33.84 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.792 -1.188 . . . . 63.41 107.792 165.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.497 HG21 ' HE1' ' A' ' 67' ' ' MET . 45.4 mm -100.65 124.05 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.801 0.44 . . . . 75.33 110.349 175.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.524 ' HG2' HD11 ' A' ' 15' ' ' ILE . 5.8 tmtm? -99.58 122.81 43.16 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.793 -1.188 . . . . 74.33 107.793 171.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.506 ' HB3' HD12 ' A' ' 64' ' ' LEU . 47.9 t -146.55 135.95 22.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.663 0.385 . . . . 61.14 110.076 177.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -83.28 -41.04 18.77 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.321 0.649 . . . . 70.4 110.184 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.68 133.99 34.37 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.292 0.637 . . . . 65.1 110.265 -175.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -73.44 -32.36 64.33 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.341 1.056 . . . . 73.23 111.462 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -73.84 -25.92 60.32 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.086 0.555 . . . . 64.54 110.764 -169.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.503 HD12 HG13 ' A' ' 32' ' ' VAL . 87.8 mt -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.482 0.713 . . . . 72.11 110.84 172.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.506 HD12 ' HB3' ' A' ' 58' ' ' SER . 7.4 mp -67.49 -34.87 78.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.798 0.839 . . . . 75.51 110.621 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.607 ' HB3' ' HZ3' ' A' ' 65' ' ' LYS . 4.4 mmmp? -58.36 -58.82 6.82 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.663 0.602 . . . . 74.15 110.635 174.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' HB2' HD22 ' A' ' 38' ' ' LEU . 31.6 mt-10 -59.83 -40.89 90.01 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.184 0.928 . . . . 73.31 111.419 -175.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.689 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 55.2 ttm -58.37 -54.06 51.24 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.512 1.133 . . . . 72.44 110.814 -178.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.532 HD12 HD13 ' A' ' 97' ' ' ILE . 96.0 mt -68.85 -25.44 64.64 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.46 0.704 . . . . 75.13 112.626 -176.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -77.36 -22.18 52.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.086 0.555 . . . . 72.54 111.243 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.461 HD11 ' SD ' ' A' ' 42' ' ' MET . 97.2 mt -85.55 -33.18 21.8 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.214 0.606 . . . . 73.2 111.031 169.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.403 HD11 HD23 ' A' ' 68' ' ' LEU . 63.4 mt -71.15 -27.66 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.809 0.844 . . . . 73.25 110.727 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.7 p -64.88 -25.11 67.75 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.114 0.566 . . . . 62.31 111.702 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -77.53 -28.1 51.86 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.718 0.807 . . . . 63.14 111.131 174.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.8 mt -86.1 -38.91 17.28 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.884 0.873 . . . . 72.22 111.196 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.81 84.25 0.34 Allowed Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.55 -0.75 . . . . 70.53 113.723 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -159.72 152.0 20.92 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.141 0.977 . . . . 63.32 109.827 166.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -80.51 133.85 35.87 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.939 0.4 . . . . 74.43 111.518 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.7 t -121.01 141.16 42.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 124.197 0.999 . . . . 72.33 109.424 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.501 ' HA ' ' HB3' ' A' ' 103' ' ' GLU . 91.5 m-85 -105.11 115.48 30.34 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.734 1.214 . . . . 74.1 109.266 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.0 tp -100.47 141.28 33.54 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.909 0.484 . . . . 74.25 110.003 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.546 HD11 HG21 ' A' ' 116' ' ' ILE . 51.6 tp -132.41 117.46 18.11 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.439 1.096 . . . . 71.23 108.875 172.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.477 ' HB3' HD21 ' A' ' 90' ' ' LEU . 74.3 mt -104.67 121.97 44.69 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.877 1.271 . . . . 74.34 108.325 177.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.555 ' HB2' ' HB ' ' A' ' 9' ' ' THR . . . -128.6 110.97 12.72 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 118.77 0.714 . . . . 71.02 111.249 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -167.42 147.52 5.29 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.069 0.548 . . . . 71.53 109.749 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -68.76 -38.29 79.98 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 123.911 0.757 . . . . 74.2 110.505 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -80.34 80.59 6.76 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 122.487 1.137 . . . . 71.14 108.643 171.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.425 ' CB ' ' HE3' ' A' ' 106' ' ' LYS . 12.0 pt-20 -75.78 -13.35 60.29 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 114.027 -1.442 . . . . 71.33 112.056 -177.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -56.3 -36.85 69.13 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.716 0.806 . . . . 71.2 110.508 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.41 -49.75 68.07 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.114 -0.948 . . . . 74.31 111.099 172.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 82' ' ' LEU . 41.0 mt -70.61 -19.22 62.86 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.327 -0.851 . . . . 73.42 111.686 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.62 -41.76 62.38 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 123.829 0.852 . . . . 74.31 110.656 -174.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -68.98 -43.74 74.29 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.382 -0.372 . . . . 71.03 110.379 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -61.82 -45.01 95.66 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.261 -0.881 . . . . 71.31 111.375 -172.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.502 ' HA ' HG21 ' A' ' 104' ' ' VAL . 19.4 ptpt -60.67 -34.62 74.6 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.089 0.556 . . . . 75.12 111.746 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -72.14 -31.99 66.5 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.326 0.65 . . . . 74.34 111.352 -175.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 13.7 mptt -68.07 -49.14 63.16 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.95 0.5 . . . . 72.42 110.015 174.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.532 HD13 HD12 ' A' ' 68' ' ' LEU . 37.9 mm -67.84 -37.64 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.738 0.815 . . . . 72.34 111.422 -175.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.19 -37.97 89.39 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.164 -0.926 . . . . 73.0 110.386 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -72.35 -31.05 65.28 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.288 0.635 . . . . 71.54 110.758 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 97.0 mt-30 -71.74 -11.08 60.65 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.434 0.694 . . . . 73.53 111.195 175.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.47 15.53 52.82 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 116.439 -0.346 . . . . 31.54 113.167 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -99.99 156.58 17.08 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.089 0.556 . . . . 74.44 110.797 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.501 ' HB3' ' HA ' ' A' ' 79' ' ' PHE . 8.3 tp10 -72.87 130.25 40.0 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.935 -1.03 . . . . 74.41 108.39 176.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.502 HG21 ' HA ' ' A' ' 94' ' ' LYS . 7.6 p -138.77 122.46 19.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 CA-C-O 121.617 0.722 . . . . 72.44 110.135 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -117.51 136.78 53.0 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.322 1.049 . . . . 75.44 108.546 173.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.425 ' HE3' ' CB ' ' A' ' 87' ' ' GLU . 11.1 tmtt? -111.28 143.16 42.49 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.485 -0.931 . . . . 70.45 108.485 173.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.9 m -144.82 174.71 3.27 Favored 'Isoleucine or valine' 0 C--O 1.245 0.835 0 C-N-CA 125.317 1.447 . . . . 63.15 108.946 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.7 p -129.3 -45.26 1.23 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.659 0.784 . . . . 72.4 109.669 174.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.99 162.28 22.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.386 0.674 . . . . 64.42 111.392 -176.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 11.3 p-10 -74.17 -49.98 21.27 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 114.661 -1.154 . . . . 75.12 110.813 -176.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -29.77 68.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.731 0.412 . . . . 72.41 111.095 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.473 ' O ' HG12 ' A' ' 116' ' ' ILE . 51.0 tt0 -67.35 -39.92 85.79 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 124.27 0.981 . . . . 62.44 110.067 176.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.89 -46.45 84.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.932 0.493 . . . . 74.4 111.298 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.519 HD12 ' HE2' ' A' ' 17' ' ' LYS . 98.3 mt -61.58 -42.35 98.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.534 -0.757 . . . . 75.44 111.803 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 118' ' ' ARG . 14.6 ptmm? -69.14 -24.98 64.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.72 0.408 . . . . 73.44 110.939 -175.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.546 HG21 HD11 ' A' ' 81' ' ' LEU . 37.5 mm -70.67 -45.66 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.382 0.673 . . . . 73.3 110.13 172.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.431 HG12 ' HE2' ' A' ' 121' ' ' MET . 61.1 t -64.92 -34.45 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.587 0.755 . . . . 63.13 110.515 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.405 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 93.4 mtt180 -67.02 -35.92 80.98 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.912 0.885 . . . . 75.42 110.648 177.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.566 ' HB3' ' HZ3' ' A' ' 123' ' ' LYS . 61.7 mt-10 -75.35 -33.82 61.12 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.884 0.474 . . . . 74.11 111.409 174.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -59.07 -28.25 66.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.708 0.803 . . . . 74.53 111.499 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.461 ' HE3' HG12 ' A' ' 22' ' ' VAL . 21.1 mmt -63.29 -42.97 99.13 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.015 0.822 . . . . 73.44 110.96 175.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -78.83 -35.8 43.5 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.871 -0.604 . . . . 73.24 110.162 -172.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.566 ' HZ3' ' HB3' ' A' ' 119' ' ' GLU . 59.8 mttp -65.01 -39.28 93.19 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 114.754 -1.112 . . . . 74.21 110.956 173.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.529 ' HB2' HD11 ' A' ' 3' ' ' ILE . . . -71.15 -30.89 67.03 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.62 0.768 . . . . 74.22 111.247 176.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -67.11 -29.66 74.78 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.73 -0.668 . . . . 74.53 112.003 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.6 m -72.36 -28.29 62.94 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.496 0.718 . . . . 65.01 111.328 175.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.696 ' HB3' ' HG2' ' A' ' 1' ' ' MET . 61.4 mt -65.78 -42.71 90.44 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.404 0.682 . . . . 74.32 111.693 177.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -82.28 -23.53 35.2 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 116.138 -0.483 . . . . 75.23 111.302 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -59.21 113.88 2.35 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.714 1.206 . . . . 72.45 110.131 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -67.53 86.85 0.2 Allowed 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 122.273 1.035 . . . . 73.33 112.34 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -103.23 79.42 1.73 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 107.9 -1.148 . . . . 72.41 107.9 172.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -76.73 146.3 38.07 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.851 -0.613 . . . . 73.12 109.481 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -142.31 89.9 2.2 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.385 0.612 . . . . 73.45 109.671 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 72.2 t60 . . . . . 0 C--O 1.253 1.263 0 CA-C-N 114.949 -1.023 . . . . 71.43 108.633 176.751 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.291 -0.633 . . . . 75.31 109.291 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -144.86 161.88 38.2 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.048 0.452 . . . . 75.31 110.875 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.558 HD11 ' HG2' ' A' ' 53' ' ' LYS . 84.0 mt -97.31 120.96 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.365 1.066 . . . . 74.24 109.506 -177.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.498 ' HB2' HG22 ' A' ' 78' ' ' VAL . 10.3 mp -120.53 123.77 43.73 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.357 -0.979 . . . . 72.32 108.357 169.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.411 ' HB ' HD12 ' A' ' 55' ' ' LEU . 50.6 mt -117.12 114.56 46.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 107.362 -1.347 . . . . 72.42 107.362 172.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.584 ' HB3' HD22 ' A' ' 64' ' ' LEU . 82.4 mt -88.99 139.08 30.81 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 108.923 -0.769 . . . . 73.54 108.923 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -128.58 115.93 39.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 123.807 0.843 . . . . 74.54 108.976 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.432 ' HB3' HD23 ' A' ' 82' ' ' LEU . 28.0 t-20 -125.5 99.49 6.05 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 107.04 -1.467 . . . . 74.0 107.04 171.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -130.22 138.04 50.35 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.32 0.648 . . . . 64.31 109.689 173.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -80.0 -14.4 58.59 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.819 0.847 . . . . 65.01 110.178 174.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -74.56 103.58 4.93 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 107.441 -1.318 . . . . 74.52 107.441 171.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.84 -53.48 55.32 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.352 0.661 . . . . 61.23 112.151 -170.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -77.77 -16.32 58.47 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.961 0.356 . . . . 73.43 111.961 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.46 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 32.6 tp -61.44 -37.46 83.62 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.996 -0.372 . . . . 74.3 109.996 170.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.413 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 92.3 mt -51.95 -52.01 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 124.067 0.855 . . . . 74.25 110.156 172.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -56.65 -41.25 76.87 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.317 1.047 . . . . 74.13 111.644 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 14' ' ' LEU . 54.8 mtpt -67.39 -39.8 85.61 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.285 -0.87 . . . . 74.44 111.417 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.434 HG12 HG21 ' A' ' 117' ' ' VAL . 82.2 mt -70.34 -34.78 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.946 0.898 . . . . 75.43 110.275 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HG2' HG13 ' A' ' 29' ' ' VAL . 62.1 mtpt -63.33 -51.8 64.45 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.145 0.578 . . . . 73.44 109.646 176.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -62.6 -32.91 74.0 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.841 0.456 . . . . 73.52 111.508 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.5 -46.39 88.66 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 123.861 0.726 . . . . 72.23 111.292 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.623 HG11 HD11 ' A' ' 55' ' ' LEU . 24.3 m -81.06 -24.85 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 115.941 -0.572 . . . . 73.41 111.304 -178.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 38.3 mt-10 -63.31 -29.06 70.44 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.361 0.664 . . . . 72.13 110.666 174.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -56.25 -29.2 60.75 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.046 0.939 . . . . 75.34 112.287 174.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -112.95 15.71 19.61 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.57 0.748 . . . . 74.41 111.597 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.59 37.91 85.6 Favored Glycine 0 C--N 1.347 1.165 0 O-C-N 123.452 0.47 . . . . 72.14 114.065 173.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -77.67 141.13 39.58 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.871 -0.418 . . . . 74.1 109.871 171.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -87.47 113.59 23.31 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.398 -0.964 . . . . 74.43 108.398 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.457 HG13 ' HG2' ' A' ' 19' ' ' LYS . 42.0 t -86.61 140.34 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.597 -0.519 . . . . 72.4 109.597 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -120.0 138.56 53.42 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.786 0.834 . . . . 75.52 108.924 172.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -105.29 112.04 25.0 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 107.887 -1.153 . . . . 71.0 107.887 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.533 ' HB ' ' HB2' ' A' ' 58' ' ' SER . 97.9 t -106.64 120.58 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.92 -0.77 . . . . 72.43 108.92 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -108.41 -60.19 1.76 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.766 0.826 . . . . 73.24 109.877 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -94.23 167.78 11.33 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.328 1.051 . . . . 72.33 111.645 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.1 m -66.68 -29.92 70.04 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.149 -0.932 . . . . 72.43 110.162 167.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.447 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 32.7 t70 -61.12 -53.09 61.41 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.504 0.722 . . . . 75.33 109.637 170.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.71 -33.81 66.84 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.841 0.857 . . . . 75.44 112.074 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.41 -61.81 2.19 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.334 -0.848 . . . . 73.23 110.596 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.553 ' HA ' ' HB2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -70.82 -25.59 62.92 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 112.963 0.727 . . . . 73.31 112.963 -171.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -52.78 -52.67 55.77 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.93 0.871 . . . . 75.11 109.901 171.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 35.6 mm-40 -84.41 -15.88 44.68 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 114.331 -1.304 . . . . 75.1 112.51 -178.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.724 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -65.69 -33.45 75.91 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 118.108 0.413 . . . . 73.15 111.376 172.074 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.93 -40.18 75.88 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.337 0.398 . . . . 75.14 110.526 168.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -65.8 -52.61 49.29 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.394 0.616 . . . . 73.2 109.934 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.478 HD23 HD21 ' A' ' 4' ' ' LEU . 72.4 mt -68.0 -20.76 65.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.529 -0.759 . . . . 64.42 111.916 -173.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.43 -51.46 6.2 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.001 0.52 . . . . 70.52 111.872 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -81.3 -50.85 9.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.486 0.714 . . . . 72.43 111.552 -173.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -71.53 113.64 8.77 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.607 -0.516 . . . . 74.14 109.607 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -114.29 -4.91 12.97 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.343 0.657 . . . . 74.34 111.484 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -64.86 150.68 47.26 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.886 0.474 . . . . 75.25 110.619 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.76 98.46 0.19 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 123.815 0.697 . . . . 75.12 110.753 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -127.46 137.55 52.72 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.59 -0.732 . . . . 63.2 109.466 173.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HG2' HD11 ' A' ' 3' ' ' ILE . 26.9 mtmm -90.8 101.8 14.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.688 -1.142 . . . . 74.34 108.074 178.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 mt -116.08 128.81 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.141 0.577 . . . . 75.42 110.191 -174.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.623 HD11 HG11 ' A' ' 22' ' ' VAL . 14.4 tp -102.11 108.28 19.64 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 107.788 -1.19 . . . . 61.43 107.788 168.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.498 HG23 ' HE3' ' A' ' 67' ' ' MET . 23.1 mm -92.08 120.55 41.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 108.805 -0.813 . . . . 73.04 108.805 174.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -103.86 139.95 38.34 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.098 0.959 . . . . 71.21 108.617 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.533 ' HB2' ' HB ' ' A' ' 32' ' ' VAL . 44.3 t -164.6 137.37 4.79 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.866 0.729 . . . . 54.34 109.65 173.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.66 -34.9 34.48 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.301 1.04 . . . . 74.13 111.544 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -87.55 104.8 16.83 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.014 -0.539 . . . . 73.14 109.93 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.563 ' HA ' HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -57.65 -20.6 34.61 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.499 0.72 . . . . 73.41 112.676 -178.662 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -58.15 -50.78 72.3 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 123.118 0.567 . . . . 73.12 109.808 174.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.56 -40.46 87.39 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.375 1.07 . . . . 71.4 111.557 -175.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 6' ' ' LEU . 6.0 mp -66.0 -39.78 90.57 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 116.156 -0.475 . . . . 75.41 110.531 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 57.4 tttp -67.94 -47.86 67.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.745 0.418 . . . . 75.23 110.743 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -60.26 -30.37 69.39 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.981 0.912 . . . . 75.01 111.13 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.724 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 34.1 ttm -64.88 -49.31 70.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.829 -1.078 . . . . 74.1 109.936 174.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.466 HD23 HD13 ' A' ' 71' ' ' ILE . 95.8 mt -67.59 -24.23 65.47 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.506 1.122 . . . . 75.3 112.496 -176.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 17.4 mm-40 -60.62 -38.08 83.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.137 0.575 . . . . 74.54 110.347 176.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.667 HD13 ' SD ' ' A' ' 42' ' ' MET . 60.1 mt -80.89 -41.83 22.45 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.397 -0.82 . . . . 73.33 110.442 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.569 ' HA ' HD12 ' A' ' 74' ' ' LEU . 68.7 mt -60.77 -33.11 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 124.133 0.973 . . . . 75.21 112.374 -175.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.9 p -49.73 -54.35 19.4 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.467 1.107 . . . . 72.01 112.424 -175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -86.39 -8.42 57.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.854 -0.612 . . . . 75.54 112.093 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 71' ' ' ILE . 87.7 mt -69.49 -48.05 61.89 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 108.603 -0.888 . . . . 74.42 108.603 168.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.01 77.02 1.26 Allowed Glycine 0 C--N 1.347 1.146 0 CA-C-N 115.166 -0.925 . . . . 71.4 113.943 171.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.438 ' HH ' HG12 ' A' ' 71' ' ' ILE . 35.8 p90 -156.7 160.13 39.03 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.868 0.867 . . . . 75.32 109.495 169.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -75.46 122.49 23.91 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.484 -0.78 . . . . 74.13 110.924 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.541 HG23 HG22 ' A' ' 71' ' ' ILE . 60.7 t -124.31 143.56 37.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 123.501 0.721 . . . . 64.12 109.241 173.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -109.56 161.1 15.68 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.318 1.447 . . . . 73.52 108.187 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.4 tp -148.61 132.39 16.98 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.039 0.535 . . . . 73.2 110.354 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.522 HD21 ' HB1' ' A' ' 113' ' ' ALA . 35.2 tp -114.74 123.36 49.06 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.084 0.953 . . . . 73.21 109.218 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.54 ' HB3' HD21 ' A' ' 90' ' ' LEU . 97.0 mt -112.0 114.37 27.22 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.127 0.971 . . . . 70.51 108.543 176.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.1 110.77 10.93 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 118.133 0.424 . . . . 65.01 110.807 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.476 ' HB3' HD11 ' A' ' 90' ' ' LEU . 17.0 t0 -165.79 152.55 9.85 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.778 0.831 . . . . 72.31 109.079 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.29 -30.57 71.44 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.826 1.25 . . . . 75.22 110.967 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -82.63 81.14 8.54 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.175 -1.417 . . . . 74.44 107.175 167.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.728 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 8.1 pt-20 -75.48 -17.31 60.16 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 114.893 -1.049 . . . . 73.42 111.367 -178.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.436 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 2.8 t-20 -62.44 -54.49 39.35 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.987 0.805 . . . . 72.33 110.356 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -61.68 -37.64 84.86 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.734 0.814 . . . . 64.42 110.633 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 82' ' ' LEU . 78.8 mt -64.03 -42.04 97.22 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.34 -0.845 . . . . 74.14 110.743 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.622 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 32.9 tt0 -69.78 -32.79 71.47 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.747 0.654 . . . . 74.3 110.68 -174.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 88' ' ' ASN . 10.1 mm-40 -67.81 -54.54 18.29 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.73 -0.841 . . . . 74.43 108.73 173.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -58.12 -40.56 81.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.299 1.039 . . . . 74.23 112.549 -174.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.522 ' HB3' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -67.92 -28.84 67.83 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.767 0.427 . . . . 74.42 111.252 -176.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -64.46 -38.22 90.27 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 110.125 -0.324 . . . . 74.53 110.125 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 4.1 mptp? -62.32 -51.49 67.46 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.56 -0.534 . . . . 74.43 109.56 175.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.431 HD12 HD13 ' A' ' 68' ' ' LEU . 46.0 mm -63.98 -34.08 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.89 0.876 . . . . 72.25 111.475 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -73.75 -31.8 63.52 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.474 0.71 . . . . 73.31 109.711 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.0 m -79.57 -15.65 57.31 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.558 0.743 . . . . 75.43 111.18 174.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 29.3 mt-30 -83.22 -12.44 56.83 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.602 0.761 . . . . 75.32 110.191 171.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.3 46.49 3.27 Favored Glycine 0 C--N 1.354 1.536 0 O-C-N 123.781 0.676 . . . . 75.31 112.773 172.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -134.77 152.45 51.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.296 0.638 . . . . 74.13 110.695 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 71.6 tt0 -80.74 102.36 9.88 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 108.838 -0.801 . . . . 75.45 108.838 176.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.4 p -121.65 126.75 75.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 C-N-CA 123.234 0.614 . . . . 72.03 109.877 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -113.75 140.12 48.54 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.208 0.603 . . . . 73.44 109.608 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.728 ' HE2' ' HB2' ' A' ' 87' ' ' GLU . 11.8 tmtt? -112.03 115.32 28.73 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.764 1.225 . . . . 72.34 108.31 -176.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 23.1 m -135.74 -177.79 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 124.878 1.271 . . . . 73.11 109.231 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 p -135.82 -44.49 0.66 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.703 0.801 . . . . 75.15 111.025 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -91.16 166.86 12.74 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 113.038 0.755 . . . . 72.21 113.038 -171.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.402 ' HB3' ' HZ1' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -70.2 -58.68 3.5 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 113.991 -1.458 . . . . 73.12 110.892 179.612 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -28.92 70.29 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.349 0.66 . . . . 74.25 111.807 -176.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -69.8 -46.79 64.93 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.455 1.102 . . . . 74.42 110.527 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.522 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -62.06 -41.19 97.89 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.226 -0.897 . . . . 71.33 111.535 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.99 -33.94 74.02 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.897 0.879 . . . . 75.43 111.836 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 61.7 mttp -60.62 -50.98 71.33 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 123.602 0.564 . . . . 72.51 109.719 173.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.5 mm -68.43 -34.47 65.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.381 -1.282 . . . . 74.15 112.05 -170.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 113' ' ' ALA . 97.9 t -57.11 -48.45 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.416 -0.587 . . . . 74.23 109.416 174.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 38.4 mtt180 -65.49 -34.68 78.83 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.059 -0.973 . . . . 74.11 111.349 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 7.7 mm-40 -62.81 -46.21 89.0 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.047 0.539 . . . . 70.45 110.344 175.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.404 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 16.1 m-30 -57.35 -40.47 78.13 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.586 -0.734 . . . . 72.24 111.479 176.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 84.6 mtp -68.09 -23.08 64.89 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.009 0.923 . . . . 70.13 111.578 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 78.1 mm-40 -74.68 -51.84 13.26 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.035 0.534 . . . . 74.03 110.563 176.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -29.75 70.58 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.552 -0.749 . . . . 73.14 109.926 178.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.495 ' HB3' HD13 ' A' ' 3' ' ' ILE . . . -70.34 -39.17 74.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.976 0.91 . . . . 71.1 110.138 176.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.76 -21.48 71.17 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 115.645 -0.707 . . . . 73.32 112.815 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.8 m -79.24 -20.28 48.57 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.614 0.765 . . . . 52.43 111.215 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.495 HD13 HG12 ' A' ' 3' ' ' ILE . 69.8 mt -69.78 -22.48 63.33 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.46 0.704 . . . . 75.3 111.27 176.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.77 -39.64 85.54 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.203 1.001 . . . . 75.33 110.77 174.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 54.3 m80 57.27 27.18 13.28 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.458 1.103 . . . . 75.41 112.719 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -140.24 14.96 2.42 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.796 1.238 . . . . 72.25 108.598 172.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -74.86 -1.52 22.67 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.918 0.887 . . . . 75.5 112.699 -166.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -160.26 -43.7 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.941 1.296 . . . . 74.45 107.518 175.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -163.74 169.69 18.04 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 114.274 -1.33 . . . . 71.32 108.645 167.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.249 1.043 0 N-CA-C 109.121 -0.696 . . . . 74.44 109.121 172.579 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.916 -0.402 . . . . 63.5 109.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -111.94 149.41 31.96 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.354 0.661 . . . . 74.11 109.807 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.486 HG22 ' HB2' ' A' ' 124' ' ' ALA . 63.0 mt -115.97 125.45 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.727 0.811 . . . . 74.35 109.282 -179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.493 HD12 HD21 ' A' ' 45' ' ' LEU . 10.6 mp -124.38 138.25 54.39 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.223 0.609 . . . . 73.31 109.607 172.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.9 mt -122.38 111.96 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 107.437 -1.319 . . . . 74.03 107.437 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.43 HD23 ' SD ' ' A' ' 67' ' ' MET . 79.2 mt -86.51 134.69 33.65 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.541 0.736 . . . . 72.41 109.211 -177.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.7 mm -123.52 122.26 64.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 N-CA-C 108.229 -1.026 . . . . 65.12 108.229 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -132.09 103.96 6.55 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.308 -0.997 . . . . 74.15 108.308 171.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.405 ' HB ' ' HB1' ' A' ' 83' ' ' ALA . 4.7 t -128.43 143.78 51.04 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 123.363 0.665 . . . . 70.33 110.179 176.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -80.92 -15.67 55.65 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.276 -0.875 . . . . 73.3 111.129 -175.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -108.12 127.7 54.03 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.99 -0.745 . . . . 75.41 108.99 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.41 -23.08 61.04 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.555 1.142 . . . . 53.42 111.788 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -60.73 -43.72 97.55 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.173 0.989 . . . . 73.01 110.609 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 113' ' ' ALA . 36.3 tp -64.13 -40.67 96.67 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.844 -1.071 . . . . 73.42 111.485 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.488 HD12 ' HE2' ' A' ' 57' ' ' LYS . 82.2 mt -52.61 -49.73 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.766 0.827 . . . . 73.44 110.703 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -56.82 -41.33 77.63 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.574 1.171 . . . . 72.14 111.215 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 44.5 mtpt -71.41 -44.07 65.6 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.263 -0.88 . . . . 74.32 110.872 -177.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.2 mt -59.55 -40.1 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 123.79 0.836 . . . . 74.21 110.178 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -58.95 -48.86 80.02 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.17 -0.923 . . . . 74.41 110.341 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -63.49 -36.53 84.07 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.433 0.293 . . . . 74.21 111.74 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 8.4 mm-40 -56.69 -50.76 71.18 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.556 0.743 . . . . 74.13 110.755 174.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.584 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 11.6 m -81.48 -22.71 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 115.181 -0.918 . . . . 74.44 112.072 -174.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -72.34 -39.21 68.31 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.417 0.687 . . . . 64.22 110.413 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -67.05 -14.38 62.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.881 0.473 . . . . 72.13 111.208 172.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -113.56 8.65 17.77 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.756 0.822 . . . . 75.41 111.626 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 37.07 56.2 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 115.423 0.929 . . . . 65.23 115.423 168.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.584 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 6.0 m-85 -95.09 139.89 30.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.559 0.744 . . . . 74.05 109.848 174.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -88.38 112.55 23.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.936 0.894 . . . . 73.53 109.708 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.8 t -85.76 132.13 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 109.173 -0.677 . . . . 73.21 109.173 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.547 HH11 HG23 ' A' ' 32' ' ' VAL . 2.8 tmt_? -127.93 121.81 30.85 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.668 0.787 . . . . 73.52 109.407 175.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -80.8 137.36 36.22 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 125.013 1.325 . . . . 73.35 110.906 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.547 HG23 HH11 ' A' ' 30' ' ' ARG . 21.6 t -132.38 115.05 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.963 0.905 . . . . 73.3 109.541 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -110.47 -54.03 2.63 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.761 0.424 . . . . 65.34 110.649 176.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -88.86 157.99 18.26 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.232 0.613 . . . . 70.52 111.698 -171.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.6 m -64.1 -32.52 74.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.228 1.011 . . . . 74.53 109.967 167.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 20.1 t70 -64.73 -43.35 93.69 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.654 -1.157 . . . . 65.12 109.752 174.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -70.14 -26.68 64.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.497 0.319 . . . . 72.4 111.776 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' A' ' 67' ' ' MET . 56.3 tp -61.42 -55.36 32.22 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 123.579 0.549 . . . . 73.31 109.846 173.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 1.6 pptp? -65.68 -31.95 73.24 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 122.415 -0.178 . . . . 74.53 111.368 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -50.57 -48.71 57.44 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.028 0.931 . . . . 74.42 111.007 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 6.8 pt-20 -78.21 -36.61 46.98 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.629 -0.714 . . . . 74.04 109.979 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.526 ' SD ' HD11 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -54.9 -43.13 72.96 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.529 0.731 . . . . 75.03 112.518 -175.224 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 4.8 mptp? -61.41 -43.55 98.68 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.665 0.603 . . . . 72.44 110.036 174.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -68.21 -32.51 72.77 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.76 0.824 . . . . 75.12 111.981 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.2 mt -75.05 -36.77 61.81 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.526 0.73 . . . . 74.1 110.123 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.71 -48.74 63.08 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.002 -0.999 . . . . 73.0 111.321 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -78.12 -65.72 0.94 Allowed 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.622 0.577 . . . . 73.34 110.351 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -77.71 87.58 3.98 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.21 -1.033 . . . . 74.13 108.21 175.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -91.67 13.37 18.24 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.664 -1.153 . . . . 75.53 109.742 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -51.71 135.89 28.3 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.177 1.391 . . . . 74.14 110.504 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -60.98 102.82 0.22 Allowed 'General case' 0 C--O 1.238 0.474 0 O-C-N 124.423 1.077 . . . . 74.32 109.52 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -141.29 132.94 27.14 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.346 -0.843 . . . . 71.43 109.408 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -91.77 84.55 5.43 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 124.591 1.182 . . . . 73.15 108.93 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.2 mt -95.91 129.4 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 122.403 0.281 . . . . 73.32 110.719 -176.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.472 HD22 HG22 ' A' ' 22' ' ' VAL . 16.0 tp -97.68 114.9 26.97 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.505 -1.294 . . . . 74.41 107.505 167.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.553 HG21 ' HE1' ' A' ' 67' ' ' MET . 44.9 mm -90.9 114.96 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 109.252 -0.648 . . . . 74.31 109.252 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.488 ' HE2' HD12 ' A' ' 15' ' ' ILE . 14.3 tmtt? -94.11 123.85 37.75 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.212 1.005 . . . . 73.34 108.632 174.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.567 ' HB3' HD13 ' A' ' 64' ' ' LEU . 35.7 t -151.63 173.81 14.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.318 0.647 . . . . 75.22 109.9 175.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -136.49 10.22 3.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.095 0.958 . . . . 72.13 111.211 -174.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -127.5 109.18 11.47 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.906 -0.776 . . . . 62.34 108.906 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -52.62 -35.95 55.51 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.696 1.199 . . . . 74.34 112.701 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -71.7 -39.78 69.94 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 118.961 -0.542 . . . . 74.4 110.069 -170.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.2 mt -53.84 -41.25 67.22 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 123.803 0.689 . . . . 73.45 110.924 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 58' ' ' SER . 9.2 mp -69.17 -43.92 73.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.534 -0.757 . . . . 75.12 111.258 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -66.22 -44.7 83.07 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.64 0.376 . . . . 75.22 109.997 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.61 -31.25 72.18 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.0 1.32 . . . . 70.31 111.434 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.553 ' HE1' HG21 ' A' ' 56' ' ' ILE . 47.9 ttm -63.44 -46.72 84.98 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 108.737 -0.838 . . . . 71.43 108.737 174.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.478 HD13 HG23 ' A' ' 97' ' ' ILE . 77.9 mt -71.99 -20.42 61.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.337 1.055 . . . . 75.42 112.261 -176.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -65.96 -35.74 81.42 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 109.656 -0.498 . . . . 71.32 109.656 170.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.526 HD11 ' SD ' ' A' ' 42' ' ' MET . 34.1 mt -86.17 -30.8 22.18 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.886 -0.597 . . . . 73.23 111.567 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.477 HD13 HD22 ' A' ' 68' ' ' LEU . 64.5 mt -71.44 -29.24 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 123.074 0.549 . . . . 74.41 110.548 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.1 p -62.15 -31.04 71.48 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.977 0.511 . . . . 64.12 111.19 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -65.4 -42.51 92.52 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.675 0.79 . . . . 75.45 110.311 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.0 mt -73.17 -38.41 66.19 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.495 -1.229 . . . . 60.3 110.792 -177.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.89 48.0 51.34 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-N 115.42 -0.809 . . . . 62.51 114.079 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -111.04 168.45 9.49 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 117.477 0.639 . . . . 71.32 109.834 165.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -94.79 128.04 41.23 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.689 0.796 . . . . 74.5 110.619 -170.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 49.5 t -123.67 147.72 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.78 1.232 . . . . 73.33 109.806 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -121.12 123.67 42.88 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.08 1.352 . . . . 73.32 108.352 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.407 HD13 HD23 ' A' ' 64' ' ' LEU . 27.2 tp -115.87 131.71 56.86 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.758 0.708 . . . . 74.33 111.078 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.467 HD23 ' HB1' ' A' ' 113' ' ' ALA . 33.4 tp -114.99 126.28 54.58 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.972 0.909 . . . . 74.24 109.458 173.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.425 ' HB3' HD12 ' A' ' 90' ' ' LEU . 91.5 mt -113.32 123.15 49.45 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.702 1.201 . . . . 75.22 108.732 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.405 ' HB1' ' HB ' ' A' ' 9' ' ' THR . . . -139.75 111.57 7.36 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.802 0.441 . . . . 70.23 110.906 -177.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.439 ' HB3' HD11 ' A' ' 90' ' ' LEU . 16.8 t0 -165.24 156.89 14.86 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.289 0.636 . . . . 72.41 109.44 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.43 -37.59 86.43 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.226 1.01 . . . . 73.4 110.168 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -88.59 60.35 5.57 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 123.002 1.382 . . . . 74.23 108.66 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.524 ' HB2' ' HD2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -71.58 -15.1 62.26 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 114.269 -1.332 . . . . 75.1 112.06 179.739 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.44 -43.49 93.1 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.644 0.777 . . . . 74.04 110.98 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.39 -29.19 62.45 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.171 0.588 . . . . 73.11 111.114 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' ' 84' ' ' ASP . 92.8 mt -70.86 -25.25 62.73 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.34 0.656 . . . . 75.22 110.842 173.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 18.5 tp10 -71.94 -25.87 62.06 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 123.573 0.749 . . . . 75.43 109.941 176.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -82.06 -47.68 12.31 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.296 0.638 . . . . 75.34 110.465 171.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.417 ' O ' HG12 ' A' ' 97' ' ' ILE . 70.8 t80 -57.54 -42.6 83.24 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.362 1.065 . . . . 65.1 111.401 -173.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 91' ' ' GLU . 19.2 ptpt -57.33 -33.3 67.58 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.754 0.822 . . . . 65.32 111.958 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -74.6 -22.68 58.82 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.492 0.717 . . . . 75.43 111.014 -172.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -36.12 49.28 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.888 0.875 . . . . 72.42 109.229 174.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.478 HG23 HD13 ' A' ' 68' ' ' LEU . 40.4 mm -74.55 -37.01 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.047 0.939 . . . . 74.12 110.663 -176.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -70.13 -31.87 69.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 114.645 -1.161 . . . . 61.31 108.755 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -68.55 -36.94 79.47 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.678 0.791 . . . . 70.53 110.293 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -67.61 -24.93 65.53 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.373 0.669 . . . . 72.24 110.543 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.31 35.65 3.07 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.248 -0.433 . . . . 61.41 113.132 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -120.91 148.11 44.51 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.993 0.517 . . . . 74.31 110.508 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -74.09 123.46 24.45 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 108.441 -0.948 . . . . 74.23 108.441 175.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.3 p -138.08 143.77 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 O-C-N 123.917 0.76 . . . . 75.04 109.815 -175.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -138.3 158.11 44.94 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.232 1.013 . . . . 75.32 109.768 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.524 ' HD2' ' HB2' ' A' ' 87' ' ' GLU . 34.0 ttpt -125.5 141.68 51.91 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.055 -1.429 . . . . 75.2 108.707 177.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.4 m -144.39 169.86 8.72 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 C-N-CA 124.851 1.26 . . . . 74.42 109.486 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.8 p -129.13 -36.06 1.77 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.329 1.052 . . . . 75.23 109.985 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -95.58 155.83 16.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.18 0.592 . . . . 75.14 110.854 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.459 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 17.9 p-10 -72.99 -50.15 24.88 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.85 -1.068 . . . . 75.41 111.595 -175.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -67.46 -31.46 71.63 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.067 0.461 . . . . 73.41 110.41 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.484 ' O ' HG12 ' A' ' 116' ' ' ILE . 43.6 tt0 -62.99 -45.73 91.02 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.308 1.043 . . . . 72.32 109.915 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.467 ' HB1' HD23 ' A' ' 81' ' ' LEU . . . -61.14 -45.98 92.43 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.556 -0.747 . . . . 73.34 111.438 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 110' ' ' ASP . 80.2 mt -58.14 -38.22 76.14 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.017 0.927 . . . . 72.23 110.896 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -66.68 -39.26 88.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.199 1.4 . . . . 74.45 110.554 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' ' 112' ' ' GLU . 42.5 mm -75.29 -33.33 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 123.359 0.664 . . . . 71.23 110.991 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.463 HG21 ' O ' ' A' ' 113' ' ' ALA . 87.7 t -56.95 -48.33 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 109.249 -0.649 . . . . 70.31 109.249 172.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 60.7 mtt180 -59.04 -38.38 79.19 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.161 0.913 . . . . 74.24 110.938 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -59.84 -55.52 33.17 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.739 0.65 . . . . 72.41 110.665 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.402 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.9 m-85 -51.9 -40.18 60.26 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.156 0.982 . . . . 72.41 112.224 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 78.4 mtp -67.94 -23.94 65.13 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.441 1.096 . . . . 75.34 112.501 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 118' ' ' ARG . 66.1 mt-30 -71.89 -46.08 59.01 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.53 0.732 . . . . 70.14 110.361 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -29.17 62.46 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.416 -0.811 . . . . 73.13 109.779 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.486 ' HB2' HG22 ' A' ' 3' ' ' ILE . . . -65.18 -46.13 82.02 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.986 0.803 . . . . 75.33 110.16 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.77 -38.6 96.41 Favored Glycine 0 C--N 1.347 1.18 0 CA-C-N 115.517 -0.765 . . . . 74.11 112.941 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 79.7 p -70.49 -17.34 62.96 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.598 0.592 . . . . 70.42 112.598 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.3 mt -54.49 -27.01 34.86 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 113.723 1.008 . . . . 75.41 113.723 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -74.69 -14.1 60.7 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-O 121.134 0.492 . . . . 75.41 111.961 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -109.03 -58.35 2.03 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 108.99 -0.745 . . . . 71.32 108.99 172.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -70.46 77.73 0.56 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.603 1.161 . . . . 75.34 109.139 172.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -73.09 138.28 45.74 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.61 0.764 . . . . 73.23 110.092 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -72.44 -27.96 62.65 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.051 0.94 . . . . 74.32 111.105 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -107.11 135.42 48.69 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.393 0.677 . . . . 73.15 110.48 175.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 38.6 m80 . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 108.321 -0.992 . . . . 72.34 108.321 173.068 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.012 -0.366 . . . . 74.32 110.012 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.5 161.07 37.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.675 1.19 . . . . 62.34 108.117 169.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.534 HD13 ' HB1' ' A' ' 124' ' ' ALA . 66.9 mt -119.02 103.67 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.083 -1.08 . . . . 73.01 108.083 174.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' HB2' HG21 ' A' ' 78' ' ' VAL . 10.9 mp -103.54 141.98 35.08 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.3 -0.629 . . . . 72.22 109.3 175.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.9 mt -119.81 113.69 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 107.149 -1.426 . . . . 74.23 107.149 169.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.592 ' HB3' HD23 ' A' ' 64' ' ' LEU . 93.2 mt -88.88 125.93 35.15 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.625 -0.88 . . . . 74.02 108.625 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -115.11 116.08 51.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 108.575 -0.898 . . . . 74.12 108.575 176.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.451 ' HB2' HD21 ' A' ' 64' ' ' LEU . 48.7 t-20 -124.41 102.14 7.51 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 106.954 -1.498 . . . . 72.03 106.954 171.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.5 ' HB ' ' HB2' ' A' ' 83' ' ' ALA . 7.7 t -130.41 144.24 51.27 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.525 -0.762 . . . . 74.4 109.291 173.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -78.16 -21.1 50.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.531 -0.759 . . . . 52.34 110.596 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -102.98 109.9 21.62 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.463 0.649 . . . . 74.32 109.918 171.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.75 -22.13 66.57 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.548 1.139 . . . . 74.42 111.505 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.24 -40.09 64.32 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.779 1.231 . . . . 75.33 111.963 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.37 -36.72 85.05 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 114.833 -1.076 . . . . 75.15 111.329 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.451 HD11 ' HG2' ' A' ' 57' ' ' LYS . 54.7 mt -66.79 -29.22 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.378 0.671 . . . . 65.03 111.179 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -58.96 -31.56 68.83 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.501 0.667 . . . . 75.13 110.349 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 93.5 mttt -81.37 -52.1 7.64 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.316 -1.311 . . . . 74.35 110.144 175.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.29 -38.07 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 C-N-CA 124.182 0.993 . . . . 73.4 112.819 -173.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.493 ' HE3' HG12 ' A' ' 29' ' ' VAL . 57.4 mtpt -61.6 -47.64 84.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.211 0.604 . . . . 74.41 109.59 176.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -64.45 -34.09 77.4 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.722 0.639 . . . . 72.55 111.637 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 14.0 mm-40 -61.0 -51.56 68.7 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 123.767 0.667 . . . . 54.4 110.351 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 55' ' ' LEU . 23.3 m -74.88 -22.62 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 115.981 -0.554 . . . . 73.24 111.978 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.4 -30.18 71.03 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.106 0.562 . . . . 71.55 111.424 174.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -63.74 -33.87 76.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.646 0.379 . . . . 64.13 111.202 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -89.57 -2.13 58.24 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.55 0.74 . . . . 75.3 111.709 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.71 38.2 43.48 Favored Glycine 0 C--N 1.344 1.007 0 O-C-N 123.022 0.202 . . . . 72.43 113.1 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -78.98 140.76 37.94 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.117 0.484 . . . . 73.24 110.285 171.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -78.92 112.48 16.13 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.773 -1.195 . . . . 62.55 107.773 168.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.493 HG12 ' HE3' ' A' ' 19' ' ' LYS . 38.4 t -93.43 118.12 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.532 -0.544 . . . . 72.04 109.532 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -114.02 128.35 56.35 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.193 1.397 . . . . 75.23 109.403 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -104.94 112.69 25.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.971 0.908 . . . . 71.02 108.746 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -87.06 114.39 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.484 0.714 . . . . 73.04 109.565 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.44 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 31.1 m-80 -94.42 -17.43 22.5 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.65 0.78 . . . . 64.42 112.511 -174.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -164.46 174.45 10.95 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 117.822 0.283 . . . . 72.44 111.404 -170.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.0 p -68.73 -34.15 75.13 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.906 0.882 . . . . 73.51 111.017 173.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -45.13 95.32 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 122.952 0.501 . . . . 73.42 110.077 172.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 8.5 mm-40 -54.46 -46.91 73.44 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 123.934 0.771 . . . . 75.1 110.867 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.01 -58.23 8.79 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.89 1.369 . . . . 74.45 111.689 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -36.88 84.61 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 119.463 -0.303 . . . . 73.14 110.731 -175.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -55.3 -50.5 69.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.537 0.735 . . . . 74.03 111.453 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 9.2 pt-20 -73.57 -27.71 61.46 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.492 0.495 . . . . 74.44 110.744 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.457 ' HE2' HD11 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -62.01 -40.01 94.23 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.814 0.446 . . . . 75.11 111.447 177.004 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -60.2 -37.46 80.35 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.749 0.419 . . . . 75.12 110.312 173.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.506 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 11.2 mmpt? -71.57 -36.78 71.01 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.379 0.672 . . . . 72.42 110.91 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 71.3 mt -75.23 -22.51 57.86 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.89 0.476 . . . . 75.44 110.932 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.74 -50.02 7.06 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.577 0.751 . . . . 65.3 112.54 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -82.33 -52.54 6.82 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.555 0.742 . . . . 73.43 111.247 -172.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -74.05 97.51 2.89 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.791 -1.189 . . . . 74.23 107.791 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.496 ' HZ3' ' HB3' ' A' ' 49' ' ' LYS . 9.1 mtpm? -85.78 25.32 1.11 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.194 0.997 . . . . 75.53 112.277 -171.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -68.24 139.07 56.0 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.297 0.639 . . . . 72.53 110.444 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -73.55 106.17 5.21 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 108.254 -1.017 . . . . 74.04 108.254 169.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -129.2 139.65 51.79 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.079 0.466 . . . . 71.34 110.195 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -93.47 113.45 25.6 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.988 -1.486 . . . . 74.4 106.988 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.1 mt -124.49 130.52 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.139 0.576 . . . . 72.13 110.916 -173.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 22' ' ' VAL . 21.2 tp -90.63 140.71 29.5 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.328 -0.99 . . . . 74.15 108.328 166.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.469 HG22 ' HE2' ' A' ' 67' ' ' MET . 46.3 mm -117.19 121.78 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.357 0.663 . . . . 73.55 109.519 175.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 15' ' ' ILE . 6.9 tmtm? -98.98 116.07 30.37 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.404 1.082 . . . . 71.12 108.125 173.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -157.33 168.94 25.9 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.271 0.628 . . . . 61.24 109.522 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -134.24 -29.17 1.26 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.831 0.853 . . . . 64.42 109.976 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.51 98.41 1.45 Allowed 'General case' 0 C--N 1.348 0.512 0 C-N-CA 122.601 0.36 . . . . 74.14 110.198 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -48.53 -30.12 4.91 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.168 1.387 . . . . 74.24 113.311 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -59.33 -49.07 79.24 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.5 0.72 . . . . 75.22 109.363 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.8 mt -61.06 -41.8 97.29 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.714 0.806 . . . . 74.44 112.07 -175.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.592 HD23 ' HB3' ' A' ' 6' ' ' LEU . 6.3 mp -68.83 -39.57 79.9 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.516 0.51 . . . . 75.33 110.994 -176.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 61.0 tttm -71.14 -45.73 62.98 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 109.639 -0.504 . . . . 73.51 109.639 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -61.12 -29.63 69.88 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.968 0.907 . . . . 74.14 111.552 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.469 ' HE2' HG22 ' A' ' 56' ' ' ILE . 49.7 ttm -65.0 -48.75 72.83 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.937 -0.764 . . . . 75.41 108.937 173.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.423 HD12 HG22 ' A' ' 97' ' ' ILE . 88.6 mt -69.53 -23.66 63.62 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.109 0.964 . . . . 55.42 112.818 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 16.0 mm-40 -64.05 -41.01 97.53 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.226 -0.657 . . . . 74.42 109.226 173.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.7 mt -82.84 -32.68 27.38 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.148 -0.933 . . . . 71.52 110.856 -177.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.563 HD13 HG22 ' A' ' 78' ' ' VAL . 73.6 mt -68.6 -32.89 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.631 0.773 . . . . 75.33 110.563 177.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -62.91 -24.29 67.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.907 0.483 . . . . 74.14 111.084 176.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -80.64 -39.89 26.54 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.242 0.617 . . . . 74.3 109.771 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.5 -30.76 66.33 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.8 0.84 . . . . 71.44 112.222 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.53 74.0 0.85 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.859 -0.609 . . . . 62.2 113.427 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -154.2 157.01 38.16 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.016 0.526 . . . . 65.3 110.776 167.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.554 ' HB3' HD12 ' A' ' 127' ' ' LEU . 3.1 tmtm? -84.79 130.48 34.67 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 115.435 -0.802 . . . . 74.3 109.365 -172.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.563 HG22 HD13 ' A' ' 71' ' ' ILE . 94.7 t -127.45 142.57 43.24 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 C-N-CA 124.191 0.996 . . . . 74.15 109.482 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -97.83 160.66 14.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.614 1.165 . . . . 71.42 109.255 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.8 tp -147.0 141.74 26.75 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.482 0.713 . . . . 72.04 109.395 177.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.467 HD13 HG23 ' A' ' 116' ' ' ILE . 50.8 tp -132.0 120.02 21.86 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.144 0.978 . . . . 73.11 108.972 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.483 ' HB3' HD21 ' A' ' 90' ' ' LEU . 89.3 mt -110.97 104.75 13.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.499 1.12 . . . . 74.51 108.724 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.5 ' HB2' ' HB ' ' A' ' 9' ' ' THR . . . -115.3 111.82 21.47 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 123.148 0.579 . . . . 41.12 111.26 -175.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.464 ' HB3' HD11 ' A' ' 90' ' ' LEU . 38.2 t70 -168.69 158.02 8.89 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.086 -0.961 . . . . 75.45 109.347 176.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -59.09 -47.61 84.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.846 0.858 . . . . 71.55 109.772 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -82.22 103.55 11.9 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.475 -0.565 . . . . 71.41 109.475 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -87.53 -13.6 42.54 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.397 0.679 . . . . 60.23 111.92 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -57.92 -49.53 76.45 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.636 0.774 . . . . 71.23 110.733 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -45.46 81.8 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 115.039 -0.982 . . . . 75.11 109.858 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 82' ' ' LEU . 88.5 mt -65.79 -28.89 69.35 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.059 -0.973 . . . . 75.35 112.013 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 29.4 tt0 -64.33 -53.99 40.04 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 123.211 0.604 . . . . 72.53 110.426 -176.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.24 -45.51 68.77 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.468 1.105 . . . . 63.01 110.031 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.404 ' HD2' HD11 ' A' ' 82' ' ' LEU . 55.8 t80 -61.03 -55.17 35.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.13 0.972 . . . . 73.1 110.83 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.452 ' HE2' HG12 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -68.51 -23.23 64.52 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.829 0.677 . . . . 74.11 112.829 -171.201 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 79.7 mtp180 -64.71 -42.01 95.58 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.568 0.347 . . . . 75.51 110.683 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.0 -44.45 69.35 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.357 -0.838 . . . . 73.02 109.905 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.423 HG22 HD12 ' A' ' 68' ' ' LEU . 41.6 mm -61.63 -44.66 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.963 0.905 . . . . 75.43 111.124 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.69 -33.43 74.9 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.38 -0.827 . . . . 65.42 110.953 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -73.3 -24.56 60.42 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.819 -0.628 . . . . 73.44 110.609 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -77.02 -4.28 43.36 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.499 0.72 . . . . 73.1 111.662 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.55 19.05 53.63 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-O 120.407 -0.107 . . . . 70.34 112.891 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -105.69 136.22 45.69 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.506 0.722 . . . . 74.44 109.255 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -78.44 129.19 34.63 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 109.323 -0.621 . . . . 75.45 109.323 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.452 HG12 ' HE2' ' A' ' 94' ' ' LYS . 2.8 p -140.66 126.71 20.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 121.2 0.524 . . . . 72.42 111.017 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -107.44 142.06 37.88 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.728 0.811 . . . . 75.21 109.815 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.83 126.16 52.32 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 106.91 -1.515 . . . . 73.02 106.91 169.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.3 m -131.25 166.61 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.648 0.779 . . . . 73.11 109.88 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.2 p -123.06 -38.4 2.6 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.645 0.778 . . . . 72.13 110.427 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.73 157.46 20.28 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.17 0.509 . . . . 71.23 111.566 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.99 -56.29 8.26 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.636 -1.166 . . . . 73.24 109.74 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.87 -34.29 77.06 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.492 -0.776 . . . . 73.24 110.938 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.543 ' O ' HG12 ' A' ' 116' ' ' ILE . 64.2 tt0 -64.93 -40.25 94.75 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 123.563 0.745 . . . . 70.12 110.019 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.42 96.23 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.592 0.357 . . . . 74.02 111.399 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.28 -43.46 98.78 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.642 0.777 . . . . 73.13 112.022 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -69.09 -31.32 69.95 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 123.435 0.459 . . . . 71.14 110.654 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.8 mm -67.16 -40.64 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.485 0.714 . . . . 75.24 110.727 177.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 84.9 t -62.4 -40.36 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.242 0.617 . . . . 74.15 109.795 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 91.8 mtt180 -68.15 -22.86 64.83 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.445 -0.798 . . . . 75.35 111.58 176.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.43 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 56.8 mt-10 -75.52 -53.18 9.06 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 110.097 -0.334 . . . . 74.23 110.097 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -49.73 -42.38 45.99 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.565 1.146 . . . . 75.22 112.718 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 19.8 ptp -69.55 -22.04 63.58 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.452 0.701 . . . . 73.11 112.69 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 9.1 mm100 -80.47 -45.54 17.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.787 0.435 . . . . 74.13 110.545 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 3.4 mptp? -63.64 -31.6 72.82 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 109.836 -0.431 . . . . 71.14 109.836 176.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.534 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -51.78 -45.86 63.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.948 1.299 . . . . 75.23 112.465 177.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.45 -38.02 95.23 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 116.06 -0.518 . . . . 61.03 112.543 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.7 m -67.54 -34.37 76.94 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.396 0.678 . . . . 73.32 110.508 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 77' ' ' LYS . 92.4 mt -60.73 -48.35 82.19 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.791 0.836 . . . . 74.05 111.338 176.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.73 -26.84 60.88 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 123.35 0.406 . . . . 75.42 110.891 -173.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.419 ' HA ' ' HB3' ' A' ' 133' ' ' HIS . 91.2 m-70 -77.12 76.01 3.68 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 121.275 0.56 . . . . 73.33 109.779 167.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -139.62 153.25 47.31 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.718 1.207 . . . . 70.32 108.973 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 67.21 29.19 7.82 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.786 1.235 . . . . 73.04 110.561 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 30.1 t60 60.74 50.04 5.79 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.871 1.268 . . . . 72.31 110.37 -172.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 129' ' ' HIS . 20.1 t60 -77.49 107.06 9.67 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.174 -1.047 . . . . 73.13 108.174 172.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 . . . . . 0 CA--C 1.555 1.141 0 O-C-N 123.794 0.684 . . . . 75.41 109.597 177.888 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.463 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 13.7 tpt . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.86 -0.422 . . . . 73.33 109.86 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -91.05 137.49 32.33 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 109.111 -0.699 . . . . 70.22 109.111 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.514 HD13 ' HG2' ' A' ' 53' ' ' LYS . 55.6 mt -105.97 118.0 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.382 -0.599 . . . . 73.02 109.382 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.677 HD21 HD11 ' A' ' 45' ' ' LEU . 8.7 mp -115.37 133.31 56.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.595 0.758 . . . . 74.24 110.424 174.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.1 mt -113.08 107.46 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 N-CA-C 107.359 -1.349 . . . . 64.42 107.359 160.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.515 HD23 ' HB ' ' A' ' 56' ' ' ILE . 89.6 mt -86.06 111.44 20.32 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.42 -0.956 . . . . 73.11 108.42 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.486 HG13 HG23 ' A' ' 18' ' ' ILE . 38.9 mm -108.81 118.92 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 108.894 -0.78 . . . . 71.12 108.894 174.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -126.53 106.91 9.77 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.113 0.965 . . . . 75.32 108.673 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.488 HG22 ' HB3' ' A' ' 14' ' ' LEU . 11.9 t -129.37 147.11 51.16 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 123.091 0.557 . . . . 75.45 110.137 171.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -75.23 -38.73 60.48 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 109.239 -0.652 . . . . 73.13 109.239 171.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -82.59 84.25 7.32 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.618 0.723 . . . . 63.51 110.039 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -50.03 -29.2 8.25 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 126.552 1.941 . . . . 72.4 114.297 -173.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.637 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 23.3 mm-40 -55.79 -31.21 62.44 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.867 0.867 . . . . 63.31 111.997 -178.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.488 ' HB3' HG22 ' A' ' 9' ' ' THR . 56.1 tp -60.4 -48.36 82.08 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.334 1.054 . . . . 71.01 111.654 177.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.542 HG23 ' HG2' ' A' ' 57' ' ' LYS . 17.5 mt -69.68 -33.33 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 O-C-N 122.954 0.159 . . . . 74.24 110.759 -175.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.637 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 57.0 mtpt -55.12 -28.38 52.24 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.281 0.632 . . . . 74.12 111.107 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -83.44 -46.58 12.34 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.492 1.117 . . . . 73.31 110.494 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.486 HG23 HG13 ' A' ' 7' ' ' ILE . 75.6 mt -57.7 -31.84 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 124.721 1.209 . . . . 73.34 111.684 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HE3' HG12 ' A' ' 29' ' ' VAL . 53.4 mtpt -63.51 -43.69 96.45 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.535 0.734 . . . . 74.24 110.212 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -66.57 -38.18 86.53 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.112 -0.494 . . . . 74.53 110.065 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -57.86 -51.71 68.48 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.652 0.781 . . . . 75.34 110.92 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.558 HG12 HD11 ' A' ' 55' ' ' LEU . 19.8 m -72.91 -27.25 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 115.25 -0.886 . . . . 73.43 111.777 -173.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.94 -34.02 74.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.09 0.556 . . . . 72.24 111.555 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -62.93 -34.09 76.73 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.782 0.433 . . . . 74.51 110.821 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -93.87 -0.45 55.73 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.425 0.69 . . . . 74.12 111.614 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.23 37.82 11.96 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-N 116.257 -0.429 . . . . 72.45 114.05 171.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.428 ' CE1' ' HE2' ' A' ' 53' ' ' LYS . 44.6 m-85 -88.33 137.36 32.4 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.68 0.392 . . . . 75.2 110.622 173.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -80.84 114.76 19.95 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 108.259 -1.015 . . . . 75.2 108.259 167.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.481 HG12 ' HE3' ' A' ' 19' ' ' LYS . 48.6 t -82.27 127.34 39.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 109.286 -0.635 . . . . 72.31 109.286 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -132.63 118.7 19.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.873 1.269 . . . . 74.34 107.723 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.408 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 7.3 p-10 -110.23 114.67 28.34 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.613 0.765 . . . . 75.43 112.338 -169.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -73.14 110.16 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 C-N-CA 124.048 0.939 . . . . 73.33 109.588 174.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -100.6 -26.67 13.75 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.952 0.901 . . . . 74.53 110.202 173.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.4 172.88 12.33 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.001 0.921 . . . . 74.02 110.702 -171.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.6 m -69.15 -30.21 68.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.172 -0.922 . . . . 74.33 110.168 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -66.84 -44.74 80.26 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.421 0.688 . . . . 75.34 110.307 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -54.34 -49.31 70.06 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 124.119 0.887 . . . . 73.02 110.077 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' O ' ' HG3' ' A' ' 42' ' ' MET . 45.0 tp -54.74 -58.49 7.33 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 125.186 1.554 . . . . 73.52 111.668 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -41.76 89.88 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 119.065 -0.493 . . . . 75.52 111.214 -174.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -57.34 -46.23 83.51 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.467 0.307 . . . . 71.13 111.284 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.522 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.7 pt-20 -74.14 -26.87 60.56 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.369 -0.378 . . . . 71.23 110.832 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.535 ' HE1' ' HB2' ' A' ' 70' ' ' LEU . 29.0 mtp -70.81 -21.27 62.49 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.121 0.415 . . . . 73.11 112.121 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -47.64 85.06 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.577 -0.897 . . . . 75.32 108.577 164.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -72.6 -14.98 61.74 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.412 1.085 . . . . 75.31 113.331 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.677 HD11 HD21 ' A' ' 4' ' ' LEU . 53.7 mt -87.44 -41.89 13.21 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.763 0.316 . . . . 73.35 110.741 173.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.32 -54.75 3.56 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.429 1.27 . . . . 73.51 114.429 -166.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -85.04 11.74 9.01 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 115.009 1.485 . . . . 71.21 115.009 -158.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.57 -34.65 1.03 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.071 -0.714 . . . . 74.22 109.071 161.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt 61.14 20.01 10.55 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.957 1.303 . . . . 74.22 112.041 172.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -66.05 163.04 18.19 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.409 0.684 . . . . 73.44 111.526 -175.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 1' ' ' MET . 82.9 t80 -74.04 94.24 2.36 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.731 -0.668 . . . . 71.01 109.856 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -142.18 145.61 34.35 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 123.529 0.732 . . . . 74.11 109.355 170.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.514 ' HG2' HD13 ' A' ' 3' ' ' ILE . 51.5 mtpt -95.79 114.41 26.15 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.585 1.154 . . . . 73.52 108.205 -175.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.8 mt -123.75 125.95 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.297 0.639 . . . . 74.22 110.106 -177.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.558 HD11 HG12 ' A' ' 22' ' ' VAL . 32.1 tp -85.94 118.2 25.27 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 107.586 -1.264 . . . . 74.14 107.586 165.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.515 ' HB ' HD23 ' A' ' 6' ' ' LEU . 36.2 mm -93.82 132.42 37.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 108.378 -0.971 . . . . 71.41 108.378 170.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.542 ' HG2' HG23 ' A' ' 15' ' ' ILE . 13.6 tmtt? -115.31 131.71 56.84 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.77 1.228 . . . . 73.11 107.992 -177.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.1 t -156.77 152.03 26.44 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.161 0.505 . . . . 73.32 110.33 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -105.79 -3.95 21.4 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.727 0.811 . . . . 54.44 110.165 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -121.5 131.52 54.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.303 0.641 . . . . 63.02 111.069 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -80.31 -20.05 45.18 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.328 1.451 . . . . 74.32 114.291 -175.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.92 -44.17 73.65 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 118.157 0.435 . . . . 74.44 110.09 -177.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 mt -54.76 -33.75 61.69 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.772 1.295 . . . . 74.03 111.851 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mp -74.73 -39.82 61.66 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.704 0.802 . . . . 73.02 111.346 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 54.6 mtmt -62.43 -45.7 91.92 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 110.225 -0.287 . . . . 71.44 110.225 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.29 -41.58 89.29 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.63 1.206 . . . . 62.3 110.808 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.511 ' HE1' HG23 ' A' ' 56' ' ' ILE . 37.8 ttm -62.84 -48.74 77.76 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.07 -0.968 . . . . 74.31 110.506 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.1 mt -65.13 -30.41 71.34 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.433 1.093 . . . . 75.22 112.934 -173.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 54.1 mt-10 -64.09 -37.4 87.3 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.844 0.458 . . . . 74.13 110.532 177.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.535 ' HB2' ' HE1' ' A' ' 42' ' ' MET . 80.9 mt -81.53 -35.53 30.23 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.293 0.637 . . . . 73.54 110.654 178.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.55 -35.41 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 123.993 0.917 . . . . 74.0 110.555 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 t -56.38 -35.17 67.41 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.666 0.786 . . . . 74.22 111.353 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -76.62 -37.2 56.76 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 123.901 0.75 . . . . 74.45 109.761 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 36.0 mt -70.67 -41.21 72.38 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.362 1.065 . . . . 74.32 110.857 -176.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.51 83.85 0.19 Allowed Glycine 0 C--N 1.348 1.203 0 O-C-N 124.414 1.071 . . . . 72.32 113.164 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -154.4 169.05 24.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.268 0.627 . . . . 75.51 111.001 173.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -73.8 128.69 36.19 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.858 0.863 . . . . 74.22 111.286 -174.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.2 t -119.27 135.03 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.055 0.942 . . . . 72.12 109.823 177.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.73 106.93 14.44 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 108.081 -1.081 . . . . 75.23 108.081 174.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.492 HD21 HG23 ' A' ' 97' ' ' ILE . 19.0 tp -111.23 136.09 50.82 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.213 0.46 . . . . 72.44 110.002 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 116' ' ' ILE . 42.6 tp -132.67 128.27 36.65 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.36 1.064 . . . . 74.23 109.322 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.3 mt -109.14 137.23 47.35 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.422 1.089 . . . . 75.43 108.203 176.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -148.26 118.55 7.32 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.515 0.326 . . . . 64.42 110.598 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.479 ' HB3' HD11 ' A' ' 90' ' ' LEU . 27.0 t70 -175.37 161.53 2.76 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.453 1.101 . . . . 65.33 108.857 173.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -62.59 -37.96 88.26 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.449 1.1 . . . . 74.42 111.864 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.76 77.98 5.22 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.72 0.771 . . . . 74.43 109.79 173.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.71 -15.77 58.05 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 114.645 -1.161 . . . . 74.12 111.436 -177.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -58.14 -57.82 11.15 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.851 0.861 . . . . 74.11 110.981 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -72.01 -28.53 63.45 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.578 -0.737 . . . . 74.14 111.327 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' A' ' 84' ' ' ASP . 83.2 mt -71.45 -31.89 67.7 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.742 0.651 . . . . 75.31 110.42 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.31 -45.98 85.53 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.931 -0.766 . . . . 73.21 108.931 175.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.17 -47.73 83.2 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.083 -0.962 . . . . 72.01 110.222 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -54.69 -51.43 65.56 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.695 1.198 . . . . 74.11 110.661 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -71.29 -22.59 61.93 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 115.716 -0.675 . . . . 73.42 111.566 -176.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -63.23 -43.97 96.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.331 0.252 . . . . 65.31 110.585 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -55.83 21.25 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.667 0.604 . . . . 73.25 109.889 176.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.523 HG22 ' HB2' ' A' ' 102' ' ' TYR . 38.2 mm -62.59 -37.71 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 124.002 0.814 . . . . 71.35 111.921 -170.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.01 -34.33 71.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.325 0.65 . . . . 74.2 110.499 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.8 t -74.17 -27.19 60.71 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.358 0.663 . . . . 64.11 110.395 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -76.56 -7.35 55.02 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.966 0.906 . . . . 72.43 111.405 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.81 21.25 19.21 Favored Glycine 0 C--N 1.347 1.194 0 CA-C-O 120.079 -0.289 . . . . 75.0 113.575 172.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.523 ' HB2' HG22 ' A' ' 97' ' ' ILE . 62.2 m-85 -106.24 146.8 29.86 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 109.507 -0.553 . . . . 73.42 109.507 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -77.19 116.02 17.46 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 108.456 -0.942 . . . . 71.44 108.456 173.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.467 HG23 ' HG ' ' A' ' 80' ' ' LEU . 3.6 p -138.35 127.63 32.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 CA-C-O 121.956 0.884 . . . . 75.41 110.136 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -112.53 150.98 30.54 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 114.243 -1.344 . . . . 75.33 107.895 177.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.434 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -133.32 115.01 14.39 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.313 -0.625 . . . . 72.23 109.313 -177.594 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 25.2 m -124.72 -179.76 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.666 1.186 . . . . 73.24 110.418 -176.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.8 p -127.83 -49.65 1.36 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.23 1.012 . . . . 74.41 110.065 175.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.84 154.53 38.22 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.553 0.741 . . . . 64.12 112.285 -174.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -65.65 -54.68 24.26 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 114.403 -1.272 . . . . 62.44 110.654 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.96 -36.43 83.45 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 123.929 0.768 . . . . 74.35 110.879 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.508 ' O ' HG12 ' A' ' 116' ' ' ILE . 13.9 tp10 -64.51 -41.16 96.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.891 0.876 . . . . 72.41 110.242 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.7 -43.74 75.39 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.267 0.627 . . . . 51.01 112.545 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.47 -35.89 76.96 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.449 0.7 . . . . 64.52 110.514 178.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -60.58 -47.72 84.95 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 123.937 0.895 . . . . 75.53 109.703 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 81' ' ' LEU . 45.1 mm -66.52 -31.99 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 123.93 0.769 . . . . 74.3 112.141 -175.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.15 -41.08 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.714 0.406 . . . . 75.33 110.03 172.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -73.16 -26.36 61.16 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.809 0.843 . . . . 75.21 111.085 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -63.62 -46.84 83.91 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.509 0.724 . . . . 74.34 109.069 171.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -59.16 -34.55 72.22 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.323 1.049 . . . . 72.42 111.881 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 24.6 mmt -61.29 -30.4 70.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.464 0.706 . . . . 71.31 112.196 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -66.53 -43.77 84.26 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.493 0.717 . . . . 73.44 110.58 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.438 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 11.1 mptt -78.9 -32.38 45.71 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.555 -0.748 . . . . 73.22 110.283 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.62 -37.25 70.93 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.593 0.757 . . . . 75.34 110.721 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.79 -39.96 95.42 Favored Glycine 0 C--N 1.346 1.094 0 CA-C-N 115.265 -0.88 . . . . 73.55 110.959 171.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.3 t -62.65 -24.55 67.67 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.102 0.961 . . . . 72.23 111.703 176.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 88.2 mt -70.2 -43.61 70.35 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 109.335 -0.617 . . . . 75.13 109.335 174.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -67.87 -24.29 65.23 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.373 -0.83 . . . . 74.32 110.65 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -75.96 75.8 2.86 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.258 -0.645 . . . . 75.22 109.258 170.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -70.25 135.56 49.1 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 108.175 -1.046 . . . . 75.44 108.175 174.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -65.57 90.15 0.11 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 121.334 0.588 . . . . 75.25 109.81 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -108.99 122.93 48.29 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.942 -1.026 . . . . 72.54 109.565 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -79.25 167.49 20.88 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.962 0.505 . . . . 54.21 110.878 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 123.68 0.792 . . . . 73.11 110.292 -178.75 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 107.843 -1.169 . . . . 71.51 107.843 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -155.16 119.26 4.63 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 109.758 -0.46 . . . . 64.31 109.758 -171.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.56 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 72.2 mt -99.35 117.06 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.604 0.762 . . . . 73.13 109.616 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.511 ' HB2' HG23 ' A' ' 78' ' ' VAL . 8.4 mp -112.0 146.82 37.2 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.032 0.933 . . . . 73.42 109.204 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.9 mt -123.62 106.43 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 107.206 -1.405 . . . . 74.54 107.206 166.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.53 132.58 34.17 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.187 0.995 . . . . 74.41 108.411 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mm -127.45 117.73 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.041 -0.726 . . . . 72.43 109.041 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.534 ' HB2' HD22 ' A' ' 64' ' ' LEU . 52.1 t-20 -118.7 102.1 8.59 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 107.655 -1.239 . . . . 72.54 107.655 170.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.461 ' HB ' ' HB2' ' A' ' 83' ' ' ALA . 3.7 t -131.53 136.39 47.83 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.051 -0.722 . . . . 75.55 109.051 169.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -74.29 -15.58 60.96 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.542 0.737 . . . . 75.24 110.751 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -85.16 107.07 17.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.255 1.022 . . . . 73.54 109.631 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.529 ' HA ' HD13 ' A' ' 15' ' ' ILE . 30.2 m-20 -64.18 -34.95 79.26 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.463 0.705 . . . . 73.3 111.661 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -63.21 -38.72 92.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.295 0.638 . . . . 75.24 110.812 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 tp -71.23 -33.55 69.97 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.164 0.586 . . . . 75.53 110.495 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.634 HD12 ' HE2' ' A' ' 57' ' ' LYS . 92.2 mt -59.19 -46.76 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 123.458 0.703 . . . . 72.44 110.399 174.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 75.2 mmtt -57.18 -38.54 73.79 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.493 0.717 . . . . 75.02 111.274 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -76.58 -42.2 43.49 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.225 -0.898 . . . . 52.44 111.628 -175.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.5 mt -68.73 -33.6 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.285 0.634 . . . . 71.14 110.073 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.579 ' HZ2' ' HB3' ' A' ' 19' ' ' LYS . 9.2 mtpm? -56.0 -63.85 1.05 Allowed 'General case' 0 C--N 1.358 0.965 0 CA-C-N 115.778 -0.646 . . . . 73.03 109.406 171.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.59 -23.95 66.96 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.975 0.51 . . . . 74.44 112.154 -176.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.41 -53.81 53.14 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.004 0.922 . . . . 75.12 109.904 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 m -83.47 -23.85 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 CA-C-N 115.06 -0.973 . . . . 74.03 112.292 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -72.42 -28.28 62.87 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.27 0.628 . . . . 71.42 110.747 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -16.6 63.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.952 0.501 . . . . 63.23 110.959 170.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -111.09 18.65 19.2 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.068 0.947 . . . . 74.31 110.344 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.64 15.69 77.33 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 115.892 1.117 . . . . 52.41 115.892 167.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -80.14 133.49 36.07 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 118.46 1.13 . . . . 71.52 110.409 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.2 132.63 34.26 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.832 -0.803 . . . . 71.52 108.832 174.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.424 HG13 ' HE2' ' A' ' 19' ' ' LYS . 58.9 t -85.56 128.2 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 109.771 -0.455 . . . . 75.43 109.771 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -131.18 109.0 10.11 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 106.804 -1.554 . . . . 72.35 106.804 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -115.83 118.91 34.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.82 0.848 . . . . 75.23 112.078 -164.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.7 t -72.32 111.07 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.501 1.121 . . . . 73.44 110.103 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.599 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -96.57 -19.27 19.19 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.984 0.513 . . . . 74.32 111.597 179.251 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -162.81 172.2 15.56 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.73 0.812 . . . . 74.24 109.487 -173.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -61.0 -39.94 91.61 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.095 0.958 . . . . 73.14 111.535 173.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.5 -46.03 90.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.265 1.026 . . . . 62.42 109.922 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.599 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 19.3 mm-40 -60.29 -44.18 95.62 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 115.24 -0.891 . . . . 71.41 110.568 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.4 tp -55.34 -58.64 6.88 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 124.382 1.052 . . . . 74.43 110.976 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -35.14 79.74 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 123.751 0.657 . . . . 73.51 111.218 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -59.43 -46.17 89.48 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.691 0.397 . . . . 74.41 111.775 175.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.5 pt-20 -84.66 -18.59 34.88 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.395 -0.366 . . . . 73.25 111.534 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 80.9 mmm -67.94 -32.41 72.84 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.191 0.596 . . . . 75.12 110.383 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -63.65 -37.42 87.27 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.94 -0.393 . . . . 75.1 109.94 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 31.3 mmmt -67.81 -29.84 69.12 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 120.726 0.298 . . . . 73.3 111.32 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 64.8 mt -82.75 -31.38 28.4 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.396 0.679 . . . . 71.35 111.449 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.12 -50.64 5.73 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.744 0.818 . . . . 75.23 112.675 -172.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.23 -64.12 0.95 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.129 0.571 . . . . 73.32 109.629 -174.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 1.9 pm0 -86.28 87.35 7.41 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.301 1.048 . . . . 74.34 108.517 171.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -91.43 37.19 0.94 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.722 1.209 . . . . 74.44 110.19 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -64.22 153.05 39.17 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.433 1.493 . . . . 74.31 111.383 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -70.27 93.39 0.84 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.436 -0.579 . . . . 72.02 109.436 177.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -148.79 145.83 27.74 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-N 114.772 -1.104 . . . . 74.32 108.968 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.56 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 33.8 mtmm -109.41 101.92 10.85 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.669 -0.696 . . . . 74.52 109.661 -176.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -106.59 132.34 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.09 0.956 . . . . 74.45 110.45 -175.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.73 117.26 21.26 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.266 -1.012 . . . . 75.45 108.266 166.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mm -92.6 147.08 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 108.575 -0.898 . . . . 74.21 108.575 170.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.634 ' HE2' HD12 ' A' ' 15' ' ' ILE . 14.1 tmtt? -135.85 134.12 38.51 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.259 -1.015 . . . . 75.05 108.259 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -158.05 173.94 15.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.285 0.634 . . . . 74.33 109.875 -177.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -132.65 -50.41 0.91 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.102 0.961 . . . . 74.32 110.612 -169.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -92.09 132.42 36.6 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.098 -0.501 . . . . 73.22 110.9 -172.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -54.1 -34.49 60.37 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.946 1.298 . . . . 73.34 113.512 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -67.12 -41.32 86.37 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 123.528 0.518 . . . . 74.13 109.757 -173.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.46 -38.29 83.73 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.678 0.791 . . . . 74.41 111.083 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.534 HD22 ' HB2' ' A' ' 8' ' ' ASN . 7.1 mp -72.6 -40.29 66.64 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.352 0.661 . . . . 74.05 111.211 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.526 ' HB3' ' HZ3' ' A' ' 65' ' ' LYS . 4.8 mmmp? -59.31 -58.28 9.31 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.514 0.509 . . . . 74.41 109.792 177.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -60.96 -36.29 79.01 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.636 1.174 . . . . 72.21 111.444 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.2 ttm -59.02 -58.6 7.93 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.607 0.763 . . . . 73.12 110.111 174.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.421 HD13 HD11 ' A' ' 97' ' ' ILE . 96.2 mt -72.87 -23.55 60.75 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.39 1.076 . . . . 75.43 113.24 -170.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -74.22 -29.83 61.9 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.857 0.463 . . . . 73.22 110.587 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.4 mt -80.52 -38.99 28.68 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.925 -0.579 . . . . 72.23 110.304 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.6 mt -66.95 -31.14 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.775 0.83 . . . . 64.23 110.408 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -61.24 -28.29 69.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.507 0.723 . . . . 65.53 111.041 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.563 ' HZ3' ' HB3' ' A' ' 73' ' ' LYS . 8.5 mtpm? -85.68 -38.6 18.15 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.828 0.851 . . . . 75.04 111.0 175.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.31 -35.67 80.98 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.491 0.717 . . . . 73.5 111.143 -177.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.3 74.36 0.99 Allowed Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.667 -0.697 . . . . 60.31 113.726 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -155.43 177.67 11.1 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.344 0.658 . . . . 73.52 110.416 168.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.489 ' HG3' HD12 ' A' ' 127' ' ' LEU . 75.2 mmtt -88.65 134.74 33.8 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.965 0.906 . . . . 74.34 111.552 -170.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.511 HG23 ' HB2' ' A' ' 4' ' ' LEU . 46.3 t -138.23 131.58 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.171 0.989 . . . . 75.41 108.837 170.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -114.61 108.85 17.37 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.479 -0.934 . . . . 73.31 108.479 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.9 tp -99.81 134.32 42.89 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.13 0.491 . . . . 71.01 111.342 -173.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.478 HD13 HG23 ' A' ' 116' ' ' ILE . 45.3 tp -120.96 136.82 54.88 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.325 1.05 . . . . 73.34 108.744 172.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.462 HD22 ' HB3' ' A' ' 8' ' ' ASN . 74.9 mt -121.6 130.54 53.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.186 0.995 . . . . 74.43 109.045 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' HB2' ' HB ' ' A' ' 9' ' ' THR . . . -147.79 110.12 4.61 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.867 0.467 . . . . 74.2 111.113 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.542 ' HB3' HD12 ' A' ' 90' ' ' LEU . 16.3 t70 -164.16 157.62 18.24 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.894 0.877 . . . . 63.24 109.147 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -54.2 -41.33 68.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.846 1.258 . . . . 64.44 111.802 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.62 76.42 7.49 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 108.558 -0.904 . . . . 74.43 108.558 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -39.44 90.85 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 114.581 -1.19 . . . . 71.43 112.775 -169.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -76.58 -22.76 53.81 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.924 0.49 . . . . 72.11 110.247 -171.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.13 -47.49 82.56 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.953 0.901 . . . . 64.43 109.79 170.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.542 HD12 ' HB3' ' A' ' 84' ' ' ASP . 87.5 mt -72.89 -31.39 64.65 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.491 -1.232 . . . . 72.41 111.104 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 43.6 tt0 -67.17 -41.52 85.83 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.489 0.716 . . . . 73.43 109.641 178.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.414 ' HG2' ' NH1' ' A' ' 95' ' ' ARG . 0.6 OUTLIER -68.48 -40.42 80.98 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.579 0.752 . . . . 74.33 109.629 177.694 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -61.0 -49.89 75.59 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.862 -1.063 . . . . 74.53 111.591 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HB3' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.64 -21.5 66.11 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.436 0.694 . . . . 75.24 111.731 -174.46 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 80.5 mtt180 -63.32 -46.84 84.8 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.126 0.571 . . . . 74.44 109.965 173.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.95 -29.67 63.27 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.267 1.027 . . . . 72.22 111.272 -177.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.43 HG23 ' HB2' ' A' ' 102' ' ' TYR . 44.5 mm -73.92 -37.74 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-O 121.136 0.493 . . . . 72.31 109.908 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.17 -31.55 66.04 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.185 0.994 . . . . 62.01 110.439 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 69.2 m -68.41 -34.38 75.91 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.316 0.646 . . . . 74.31 110.572 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -66.47 -27.86 68.13 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.706 0.402 . . . . 71.14 110.604 171.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.8 37.25 3.24 Favored Glycine 0 C--N 1.345 1.048 0 C-N-CA 123.065 0.364 . . . . 75.31 112.612 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.43 ' HB2' HG23 ' A' ' 97' ' ' ILE . 89.9 m-85 -109.86 147.48 33.27 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.893 0.477 . . . . 74.23 110.787 175.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.476 ' HG2' ' HD3' ' A' ' 123' ' ' LYS . 10.3 tp10 -75.9 109.56 9.63 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 114.961 -1.018 . . . . 75.53 108.661 173.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.89 134.49 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.252 0.621 . . . . 75.43 110.652 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -130.29 155.53 46.16 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.79 0.836 . . . . 71.34 109.489 177.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -123.6 136.56 54.58 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.132 0.973 . . . . 72.15 109.119 177.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.4 m -132.15 163.81 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.439 1.096 . . . . 75.21 110.201 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.2 p -125.51 -15.71 6.03 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.095 0.958 . . . . 75.33 111.204 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -109.51 152.58 25.25 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.463 0.649 . . . . 72.55 111.119 177.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -51.75 40.59 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.434 -1.257 . . . . 74.23 110.141 176.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -62.5 -27.76 69.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.836 0.854 . . . . 61.24 111.772 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -77.53 -38.75 48.07 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.374 1.069 . . . . 73.5 110.604 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.37 94.74 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.278 0.631 . . . . 63.12 111.404 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.35 -31.86 73.23 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.764 0.826 . . . . 74.21 111.202 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 63.4 mttp -63.25 -47.06 84.01 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.337 0.655 . . . . 74.3 110.284 173.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.478 HG23 HD13 ' A' ' 81' ' ' LEU . 46.6 mm -69.45 -34.24 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.273 0.629 . . . . 74.32 111.477 -175.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 121' ' ' MET . 82.1 t -54.09 -49.91 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 109.405 -0.591 . . . . 72.45 109.405 171.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 -64.15 -31.94 73.33 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.501 -0.772 . . . . 71.25 112.171 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.88 -46.99 85.28 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.745 0.418 . . . . 53.42 110.219 172.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.487 ' HA ' ' HD2' ' A' ' 123' ' ' LYS . 22.1 m-30 -63.87 -29.13 70.35 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.259 1.024 . . . . 61.15 112.173 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 98.3 mmm -70.21 -34.46 72.95 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.375 0.67 . . . . 72.42 110.851 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -73.39 -36.31 66.02 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.747 -0.66 . . . . 71.42 110.293 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.487 ' HD2' ' HA ' ' A' ' 120' ' ' PHE . 62.1 mttm -67.05 -47.5 71.15 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.39 1.076 . . . . 71.43 110.541 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 127' ' ' LEU . . . -65.94 -32.54 74.09 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.055 0.942 . . . . 73.41 110.725 177.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.74 -37.38 76.14 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-N 115.334 -0.848 . . . . 62.4 112.139 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.5 ' HA ' ' HB3' ' A' ' 130' ' ' HIS . 73.0 m -65.27 -22.86 66.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.499 0.72 . . . . 75.33 111.453 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.489 HD12 ' HG3' ' A' ' 77' ' ' LYS . 30.2 mt -83.46 -46.59 12.32 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.556 0.742 . . . . 72.12 110.389 175.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -84.57 -70.46 0.57 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.613 0.765 . . . . 73.53 112.298 -172.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -125.57 93.35 3.83 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.768 0.827 . . . . 74.2 109.336 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.5 ' HB3' ' HA ' ' A' ' 126' ' ' SER . 17.2 p80 -112.95 127.2 56.15 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.67 0.388 . . . . 75.24 110.212 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -122.09 -44.15 2.3 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.299 -1.0 . . . . 61.22 108.299 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -80.93 100.22 8.79 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.455 -0.943 . . . . 73.22 108.455 169.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -79.05 145.53 33.79 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.968 -0.753 . . . . 72.22 108.968 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.0 t60 . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 108.169 -1.049 . . . . 75.42 108.169 172.313 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 109.923 -0.399 . . . . 75.32 109.923 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.513 ' HE3' ' HB3' ' A' ' 52' ' ' GLU . 3.1 ttmp? -159.07 153.79 24.6 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.519 -0.919 . . . . 74.41 108.519 172.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 79.2 mt -119.08 109.55 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.03 0.932 . . . . 73.0 108.874 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.7 mp -105.43 136.79 44.34 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.748 -0.834 . . . . 74.31 108.748 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.5 mt -113.04 114.49 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.189 -1.411 . . . . 73.24 107.189 164.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.481 HD23 ' SD ' ' A' ' 67' ' ' MET . 84.7 mt -88.65 132.5 34.54 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.297 -1.001 . . . . 74.31 108.297 178.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.7 mm -125.49 113.41 34.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.871 -1.159 . . . . 75.22 107.871 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -119.29 97.98 5.93 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.569 -1.641 . . . . 72.01 106.569 168.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 t -132.31 139.7 48.3 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 115.281 -0.872 . . . . 74.3 109.491 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -75.87 -19.74 58.63 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.27 -0.877 . . . . 74.14 109.846 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -75.34 88.36 2.57 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.841 0.857 . . . . 75.32 109.062 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.18 -34.09 76.78 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.812 0.845 . . . . 72.32 111.353 -176.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.35 -40.54 71.38 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.799 1.24 . . . . 71.23 111.515 172.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.9 tp -71.37 -33.65 69.74 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.769 1.227 . . . . 75.14 111.194 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.2 mt -63.23 -39.6 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 122.972 0.509 . . . . 75.31 110.834 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -57.4 -33.19 67.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 123.82 0.7 . . . . 74.14 110.543 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.412 ' HE2' HD12 ' A' ' 114' ' ' LEU . 49.1 mtpt -81.33 -42.94 19.79 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.806 1.242 . . . . 73.43 110.722 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.72 -36.0 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.945 0.898 . . . . 73.53 109.835 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HE2' HG11 ' A' ' 29' ' ' VAL . 8.6 mtpm? -58.83 -57.03 14.84 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.167 -0.924 . . . . 72.1 109.557 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HB3' ' HZ3' ' A' ' 20' ' ' LYS . 4.4 mmmp? -56.85 -32.24 65.59 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.216 0.606 . . . . 75.31 112.053 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.73 -55.41 23.5 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.263 0.625 . . . . 74.54 111.128 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.0 m -80.91 -22.68 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 112.911 0.708 . . . . 71.24 112.911 -171.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.13 -21.64 60.68 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.662 0.785 . . . . 75.42 110.803 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.94 -18.85 64.88 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.175 0.59 . . . . 74.51 111.019 170.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -108.56 8.78 27.34 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.015 0.926 . . . . 74.2 111.264 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.38 37.39 62.81 Favored Glycine 0 C--N 1.347 1.145 0 N-CA-C 114.287 0.475 . . . . 55.21 114.287 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -75.82 127.21 32.54 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.832 -0.433 . . . . 73.25 109.832 170.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -79.79 114.23 18.55 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.35 -0.982 . . . . 74.12 108.35 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG11 ' HE2' ' A' ' 19' ' ' LYS . 43.0 t -87.15 127.91 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.859 -0.422 . . . . 75.44 109.859 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -117.33 159.49 22.64 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.374 1.07 . . . . 73.42 108.506 170.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -129.84 112.68 13.81 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.377 -0.972 . . . . 64.33 108.377 171.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.558 HG12 HD13 ' A' ' 63' ' ' LEU . 63.3 t -111.7 110.76 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.417 1.087 . . . . 72.04 108.302 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.77 -36.76 7.73 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.713 0.805 . . . . 72.3 109.759 175.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -117.0 158.83 23.46 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.543 0.737 . . . . 74.11 110.658 -173.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.2 t -65.75 -21.84 66.55 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.606 1.162 . . . . 71.35 112.022 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.573 ' HA ' ' HZ3' ' A' ' 39' ' ' LYS . 18.4 t70 -60.11 -58.88 6.64 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 123.476 0.71 . . . . 65.25 109.358 170.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.71 -27.57 67.99 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.626 1.204 . . . . 75.41 111.275 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.3 tp -65.28 -61.5 2.09 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.484 0.714 . . . . 75.23 110.474 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.573 ' HZ3' ' HA ' ' A' ' 36' ' ' ASP . 2.5 pptp? -68.38 -25.08 64.89 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 123.541 0.525 . . . . 75.52 111.997 -172.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.505 ' HB3' ' HZ3' ' A' ' 40' ' ' LYS . 4.5 mmmp? -62.34 -48.24 80.68 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.715 0.635 . . . . 74.53 110.036 175.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.507 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 62.8 mm-40 -77.8 -27.23 50.09 Favored 'General case' 0 C--N 1.348 0.5 0 N-CA-C 112.337 0.495 . . . . 72.32 112.337 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.475 ' HE3' ' HB2' ' A' ' 70' ' ' LEU . 93.2 mmm -66.57 -31.29 71.9 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.119 0.168 . . . . 64.44 110.651 174.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -61.41 -48.59 80.5 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 109.285 -0.635 . . . . 75.21 109.285 169.763 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -57.59 -36.75 72.15 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.905 0.882 . . . . 74.33 111.279 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 51.5 mt -70.31 -36.77 74.53 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.699 0.8 . . . . 73.42 110.638 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.9 -36.96 64.8 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.677 0.791 . . . . 72.33 112.192 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 6.3 mm-40 -75.47 -61.85 1.77 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.887 -0.783 . . . . 64.22 108.887 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -93.43 93.78 8.33 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 108.623 -0.88 . . . . 64.04 108.623 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.629 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -101.22 8.93 42.35 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.29 1.036 . . . . 74.43 109.75 173.421 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -65.01 162.71 16.11 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.773 1.229 . . . . 75.23 110.247 168.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.01 129.53 41.88 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 120.957 0.408 . . . . 74.43 111.508 -175.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.513 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 11.3 tp10 -159.54 158.84 32.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.156 -0.929 . . . . 73.42 109.104 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -125.57 115.67 20.54 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.198 -1.038 . . . . 75.12 108.198 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.5 mt -127.44 125.9 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.165 0.986 . . . . 74.14 109.829 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.3 tp -86.46 131.92 34.06 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.22 -1.03 . . . . 73.42 108.22 169.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.468 HG21 ' HE2' ' A' ' 67' ' ' MET . 30.5 mm -115.47 122.11 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 108.719 -0.845 . . . . 74.21 108.719 172.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -96.52 140.26 31.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.318 1.047 . . . . 74.15 109.053 171.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.431 ' HB2' HD13 ' A' ' 64' ' ' LEU . 68.8 m -149.43 144.74 26.54 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.21 0.604 . . . . 65.22 111.214 174.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -102.51 -2.32 28.84 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.209 1.004 . . . . 75.33 110.223 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.467 ' HB3' HD11 ' A' ' 63' ' ' LEU . 24.1 t70 -118.82 139.11 52.14 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.031 0.932 . . . . 72.14 109.685 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.437 ' HZ1' ' HB3' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -79.51 -36.15 38.95 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.596 0.758 . . . . 73.51 112.424 -176.412 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -69.21 -34.51 74.99 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.879 0.871 . . . . 72.55 110.99 -169.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.558 HD13 HG12 ' A' ' 32' ' ' VAL . 86.0 mt -52.27 -40.1 61.3 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.883 0.873 . . . . 75.3 111.587 176.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.431 HD13 ' HB2' ' A' ' 58' ' ' SER . 6.6 mp -70.57 -40.1 73.52 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.33 1.052 . . . . 74.05 110.489 -176.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -61.72 -56.47 19.28 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.196 -0.668 . . . . 74.23 109.196 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -54.62 -43.28 72.13 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 125.045 1.466 . . . . 75.51 110.953 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.481 ' SD ' HD23 ' A' ' 6' ' ' LEU . 33.9 ttm -60.12 -53.04 62.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.169 0.987 . . . . 74.33 110.423 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.82 -26.91 65.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.218 1.007 . . . . 74.25 112.19 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.78 -30.36 64.04 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.181 0.592 . . . . 64.43 110.4 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.475 ' HB2' ' HE3' ' A' ' 42' ' ' MET . 72.6 mt -84.12 -28.25 27.62 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.616 0.766 . . . . 73.31 110.732 174.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.404 HG22 HG23 ' A' ' 78' ' ' VAL . 70.2 mt -73.17 -22.43 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.052 0.941 . . . . 73.54 109.861 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.9 t -57.67 -31.3 66.2 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.343 0.657 . . . . 74.42 111.169 171.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -73.6 -33.57 64.67 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.528 0.731 . . . . 74.01 111.457 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -81.61 -48.42 11.77 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.128 0.571 . . . . 65.45 111.159 -174.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.42 73.74 1.15 Allowed Glycine 0 C--N 1.343 0.938 0 C-N-CA 123.391 0.52 . . . . 51.43 113.53 172.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -149.49 174.18 12.77 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.172 0.589 . . . . 75.41 111.18 174.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -73.45 120.79 19.54 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.989 0.916 . . . . 73.12 111.105 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.404 HG23 HG22 ' A' ' 71' ' ' ILE . 42.1 t -124.94 139.28 51.52 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.813 -0.81 . . . . 72.15 108.813 169.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -107.33 157.93 17.55 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.972 1.309 . . . . 72.51 108.388 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.6 tp -148.36 136.2 20.85 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.061 0.458 . . . . 72.44 110.578 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' ' 113' ' ' ALA . 41.8 tp -125.11 133.37 52.88 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.448 1.099 . . . . 72.53 109.239 174.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.529 ' HB3' HD23 ' A' ' 90' ' ' LEU . 75.0 mt -121.06 124.75 45.58 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.267 1.027 . . . . 74.14 108.708 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.94 110.62 5.85 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 118.421 0.555 . . . . 73.33 110.742 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' HB3' HD13 ' A' ' 90' ' ' LEU . 24.0 t70 -159.51 162.72 35.55 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.037 0.535 . . . . 72.14 110.079 -177.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -57.36 -47.32 81.93 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.944 1.298 . . . . 75.32 110.522 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -78.37 83.03 4.62 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.638 -1.245 . . . . 71.53 107.638 173.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.544 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -73.43 -21.21 60.53 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.579 -1.191 . . . . 74.41 110.808 -179.353 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -71.35 -43.19 67.43 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.491 1.116 . . . . 72.31 111.016 -174.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -31.8 71.27 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 123.502 0.501 . . . . 74.45 110.649 178.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.529 HD23 ' HB3' ' A' ' 82' ' ' LEU . 78.8 mt -69.08 -39.76 78.87 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.604 0.761 . . . . 75.31 110.455 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.526 ' HB2' ' HZ3' ' A' ' 106' ' ' LYS . 35.6 tt0 -69.28 -35.19 75.79 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.492 0.495 . . . . 75.23 110.352 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -69.55 -45.67 68.2 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.936 0.894 . . . . 74.51 109.482 176.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -62.55 -46.71 87.11 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.934 1.294 . . . . 71.32 111.079 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -34.55 78.58 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.531 -0.758 . . . . 72.53 110.365 -173.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -62.08 -33.34 74.23 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.388 0.675 . . . . 73.53 111.88 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.6 -45.01 61.21 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.816 0.846 . . . . 71.42 110.597 176.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.1 mm -66.84 -33.15 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-O 122.025 0.917 . . . . 72.11 110.552 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.45 -35.56 68.3 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.503 1.521 . . . . 73.23 110.118 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -72.31 -30.11 64.48 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.783 -1.099 . . . . 65.54 110.418 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.98 -19.72 65.76 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.133 0.573 . . . . 71.41 111.23 173.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.44 27.53 9.13 Favored Glycine 0 C--N 1.348 1.245 0 C-N-CA 122.845 0.26 . . . . 60.21 112.556 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -109.1 144.28 37.34 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.323 0.649 . . . . 75.32 110.013 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -72.99 113.12 9.66 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 108.779 -0.823 . . . . 74.5 108.779 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.4 p -139.18 142.22 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.056 0.543 . . . . 74.5 109.935 -175.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -133.72 139.04 46.15 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.549 0.74 . . . . 75.3 109.911 -177.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.544 ' HE3' ' HB2' ' A' ' 87' ' ' GLU . 1.7 tmtp? -102.69 122.86 45.29 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.827 1.251 . . . . 73.4 108.101 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.1 m -137.93 -178.97 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.892 1.277 . . . . 70.24 109.657 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 m -148.9 -42.38 0.15 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.561 0.745 . . . . 74.1 109.618 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.04 154.04 31.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.82 0.848 . . . . 75.14 111.143 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.56 -60.26 2.88 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.593 1.157 . . . . 73.53 111.852 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.15 -21.18 56.88 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 120.619 0.247 . . . . 73.22 110.76 -174.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.475 ' O ' HG12 ' A' ' 116' ' ' ILE . 42.8 tt0 -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 115.592 -0.731 . . . . 74.31 110.046 170.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.436 ' HB3' HD21 ' A' ' 81' ' ' LEU . . . -61.91 -44.5 96.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 122.53 0.332 . . . . 74.12 111.24 175.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.412 HD12 ' HE2' ' A' ' 17' ' ' LYS . 96.1 mt -62.93 -38.18 90.0 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.411 0.684 . . . . 75.43 112.042 -176.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 14.0 ptmm? -74.54 -26.58 60.05 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.646 0.378 . . . . 75.45 110.955 -177.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 112' ' ' GLU . 37.5 mm -73.01 -42.96 59.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 123.548 0.739 . . . . 73.23 110.543 175.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 93.4 t -56.07 -40.19 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.398 0.679 . . . . 74.31 110.092 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 99.9 mtt180 -64.46 -32.69 74.43 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.443 -0.799 . . . . 73.34 111.638 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.85 -48.3 74.83 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 110.346 -0.242 . . . . 75.3 110.346 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 22.8 m-30 -54.91 -36.51 65.28 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.496 0.719 . . . . 73.25 111.57 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 78.6 mtp -73.02 -31.24 64.33 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.044 0.938 . . . . 73.5 111.073 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 84.9 mm-40 -67.37 -43.67 80.86 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.307 0.643 . . . . 70.44 110.828 175.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.474 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 3.8 mptp? -62.03 -46.13 90.51 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 109.203 -0.666 . . . . 74.5 109.203 173.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.533 ' HA ' HD13 ' A' ' 127' ' ' LEU . . . -61.89 -41.57 98.04 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.314 1.046 . . . . 71.44 112.533 -171.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.1 -48.69 84.85 Favored Glycine 0 C--N 1.346 1.119 0 N-CA-C 111.102 -0.799 . . . . 72.32 111.102 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.0 m -60.41 -29.14 68.79 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.44 1.096 . . . . 73.4 112.516 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 124' ' ' ALA . 75.2 mt -69.49 -33.19 72.51 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.478 0.711 . . . . 74.43 110.938 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -71.14 -33.65 70.28 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.428 -0.806 . . . . 61.25 110.985 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -80.16 30.8 0.27 Allowed 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.58 0.956 . . . . 75.44 113.58 -171.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -78.58 66.99 4.24 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 108.414 -0.958 . . . . 73.02 108.414 164.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -79.04 79.85 5.41 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.826 0.85 . . . . 74.23 111.671 -173.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -81.88 130.36 35.05 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 114.896 -1.047 . . . . 71.43 109.925 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -153.1 9.08 0.43 Allowed 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.25 0.62 . . . . 75.23 110.88 -176.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 . . . . . 0 CA--C 1.553 1.067 0 N-CA-C 108.573 -0.899 . . . . 73.32 108.573 176.717 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.678 -0.49 . . . . 71.12 109.678 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.479 ' HE3' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -160.01 168.1 26.4 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.395 1.078 . . . . 74.22 108.852 172.409 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.556 HD13 ' HB3' ' A' ' 124' ' ' ALA . 75.8 mt -110.09 123.06 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 109.158 -0.682 . . . . 74.12 109.158 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.479 HD12 ' HE3' ' A' ' 2' ' ' LYS . 9.6 mp -122.21 121.81 37.69 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.814 -0.81 . . . . 74.43 108.814 168.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.6 mt -106.63 112.17 38.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.506 -1.294 . . . . 74.25 107.506 169.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.498 HD21 ' SD ' ' A' ' 67' ' ' MET . 85.7 mt -87.02 124.3 33.05 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.884 0.874 . . . . 73.45 109.031 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.441 HG13 HG21 ' A' ' 18' ' ' ILE . 46.0 mm -111.84 116.08 51.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 108.646 -0.872 . . . . 71.45 108.646 173.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.431 ' HB2' HD23 ' A' ' 64' ' ' LEU . 28.1 t-20 -124.56 104.67 8.84 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 108.185 -1.043 . . . . 70.12 108.185 169.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.427 ' HB ' ' HB2' ' A' ' 83' ' ' ALA . 4.5 t -130.94 143.95 51.11 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.844 -0.616 . . . . 74.2 111.09 175.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -65.65 -24.36 67.01 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.731 1.212 . . . . 73.52 109.693 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -95.71 93.97 7.42 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.445 1.098 . . . . 73.0 109.383 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.08 -25.49 68.13 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.225 0.61 . . . . 74.11 111.096 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.65 -42.33 98.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.945 0.898 . . . . 72.44 111.178 174.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.54 -34.49 74.2 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.965 0.906 . . . . 74.41 111.045 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.36 -41.31 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.083 0.553 . . . . 71.22 111.495 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 66.9 mttm -50.93 -43.67 60.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 123.719 0.637 . . . . 75.44 110.867 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.64 -42.17 71.2 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.292 -1.322 . . . . 73.32 110.265 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.441 HG21 HG13 ' A' ' 7' ' ' ILE . 83.0 mt -63.44 -33.34 60.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 123.801 0.84 . . . . 72.43 111.155 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 25.1 mtpp -62.84 -53.73 49.68 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.568 0.747 . . . . 74.24 110.175 177.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HB3' ' HZ3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -63.74 -32.81 74.43 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.256 -0.884 . . . . 73.31 110.013 -178.318 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.79 -48.93 72.69 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.915 1.286 . . . . 74.44 110.88 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.57 HG11 HD13 ' A' ' 55' ' ' LEU . 26.3 m -73.4 -24.29 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 115.935 -0.575 . . . . 74.44 111.979 -176.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 50.1 mt-10 -61.68 -27.39 68.65 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.978 0.511 . . . . 74.53 111.775 173.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -68.52 -17.19 64.11 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.808 0.443 . . . . 73.14 111.981 176.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -111.34 -3.38 15.3 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.617 0.767 . . . . 71.35 111.448 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.43 32.43 22.43 Favored Glycine 0 C--N 1.351 1.387 0 O-C-N 123.31 0.381 . . . . 64.54 113.894 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.548 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 4.3 m-85 -88.19 141.27 28.7 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.203 0.601 . . . . 74.21 110.041 174.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.71 167.73 17.92 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.853 -1.067 . . . . 73.42 108.304 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.9 t -127.59 128.8 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 108.38 -0.97 . . . . 72.51 108.38 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.597 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -121.22 111.57 17.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.277 1.031 . . . . 75.33 109.638 -177.356 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.62 111.9 19.53 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.352 0.596 . . . . 73.01 110.916 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.474 HG11 HD12 ' A' ' 63' ' ' LEU . 89.9 t -102.72 108.62 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.467 -1.242 . . . . 62.32 107.883 167.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.462 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 26.0 m-80 -93.19 -36.82 12.42 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.023 0.929 . . . . 74.54 110.511 -178.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -141.63 172.86 12.11 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.323 -0.853 . . . . 73.44 110.364 -166.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -58.47 -35.83 72.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.736 1.214 . . . . 73.12 112.179 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 27.5 t70 -65.75 -49.55 67.97 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.509 0.724 . . . . 73.41 109.617 176.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 8.8 mm-40 -56.69 -40.13 75.05 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 124.15 0.906 . . . . 73.43 110.721 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.8 tp -60.49 -61.23 2.75 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.898 0.879 . . . . 74.43 110.079 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -64.04 -36.03 82.65 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 124.108 0.88 . . . . 73.41 111.454 -171.228 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HZ2' ' HB2' ' A' ' 40' ' ' LYS . 10.0 mtmp? -56.46 -51.84 66.91 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 122.755 0.422 . . . . 75.45 109.943 176.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 11.1 mm-40 -73.44 -24.44 60.24 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 115.344 -0.844 . . . . 73.13 110.83 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.724 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 74.8 mmm -70.39 -35.42 73.48 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 118.64 -0.695 . . . . 73.43 112.102 -178.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -59.48 -43.8 93.2 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 109.485 -0.561 . . . . 74.34 109.485 170.13 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 11.3 mmpt? -60.31 -61.07 2.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.826 0.704 . . . . 74.31 110.366 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 HD13 HD21 ' A' ' 4' ' ' LEU . 51.6 mt -55.76 -30.34 61.09 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.116 1.366 . . . . 61.05 111.962 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.2 -47.67 41.64 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 123.191 0.596 . . . . 73.14 111.252 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 36.5 mm-40 -68.29 -22.54 64.72 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.511 0.724 . . . . 74.1 111.525 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 44' ' ' LYS . 50.1 mt-10 -74.26 91.12 2.13 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.451 0.7 . . . . 74.5 111.034 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -85.37 -16.12 40.94 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.661 0.784 . . . . 74.4 109.963 169.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -66.58 142.45 57.48 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.603 0.761 . . . . 75.44 110.531 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -75.8 118.17 18.32 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.501 -0.772 . . . . 73.44 109.607 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -155.39 143.88 20.37 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.143 0.497 . . . . 62.12 110.501 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.555 ' HG2' HD11 ' A' ' 3' ' ' ILE . 18.0 mtmm -91.04 108.41 19.84 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 125.714 1.606 . . . . 70.43 109.306 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.9 mt -123.91 125.58 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 123.733 0.813 . . . . 73.11 109.766 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.57 HD13 HG11 ' A' ' 22' ' ' VAL . 16.0 tp -90.01 123.14 33.65 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.633 -1.247 . . . . 75.44 107.633 168.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.521 HG22 ' HE1' ' A' ' 67' ' ' MET . 41.4 mm -95.24 120.23 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 109.115 -0.698 . . . . 62.12 109.115 173.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -92.98 122.31 35.21 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.813 1.245 . . . . 72.34 108.431 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.567 ' HB3' HD13 ' A' ' 64' ' ' LEU . 36.2 t -158.38 139.05 12.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.075 0.464 . . . . 54.51 110.131 175.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -100.01 -16.1 18.03 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.897 0.879 . . . . 72.25 110.201 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.28 131.6 42.61 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.234 0.614 . . . . 73.55 110.019 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HG2' ' OD1' ' A' ' 8' ' ' ASN . 90.5 mttt -79.23 -29.14 42.6 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.652 1.181 . . . . 73.12 112.279 -171.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 14.0 mm100 -69.56 -39.93 77.11 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.073 0.549 . . . . 75.11 110.882 -177.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.474 HD12 HG11 ' A' ' 32' ' ' VAL . 92.3 mt -56.1 -39.73 72.6 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.721 0.808 . . . . 72.33 112.541 -176.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 58' ' ' SER . 7.6 mp -71.76 -30.82 65.99 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.307 0.643 . . . . 74.24 111.073 -177.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 50.8 mtpt -66.2 -49.96 65.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.101 0.561 . . . . 75.22 110.056 175.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 15.9 mm-40 -60.64 -36.55 78.95 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.0 0.92 . . . . 64.45 110.455 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.724 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 44.1 ttm -63.19 -49.34 74.63 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.261 -1.336 . . . . 73.33 110.497 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.48 HD21 HD12 ' A' ' 71' ' ' ILE . 90.5 mt -67.86 -20.72 65.17 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.756 0.823 . . . . 74.24 112.753 -175.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.7 -32.12 65.53 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.916 0.389 . . . . 64.13 110.456 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.427 ' HB2' ' HE1' ' A' ' 42' ' ' MET . 71.3 mt -83.14 -35.4 25.6 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.621 0.768 . . . . 72.22 110.16 177.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.501 HG23 HG22 ' A' ' 78' ' ' VAL . 57.7 mt -67.76 -26.25 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.879 0.872 . . . . 74.35 110.538 177.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.5 t -55.28 -35.32 64.93 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.748 0.819 . . . . 64.13 111.452 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -75.71 -27.87 58.36 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.701 0.801 . . . . 75.13 111.174 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 71' ' ' ILE . 47.8 mt -84.28 -44.64 13.65 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.975 0.91 . . . . 64.4 110.908 -173.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.1 70.03 1.3 Allowed Glycine 0 C--N 1.349 1.291 0 CA-C-N 116.054 -0.521 . . . . 42.13 114.089 172.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -141.24 159.63 41.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.518 0.727 . . . . 74.44 110.244 172.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -70.61 114.6 8.88 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.943 0.897 . . . . 74.21 110.505 -175.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.501 HG22 HG23 ' A' ' 71' ' ' ILE . 60.1 t -110.7 139.93 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.093 0.957 . . . . 64.13 109.5 176.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -116.82 109.26 16.87 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.164 0.986 . . . . 72.24 109.123 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.462 HD23 HG21 ' A' ' 97' ' ' ILE . 17.6 tp -102.46 127.82 49.34 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.717 0.807 . . . . 74.4 110.091 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.8 tp -111.06 126.36 54.73 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.706 0.803 . . . . 71.43 109.333 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.586 ' HB3' HD21 ' A' ' 90' ' ' LEU . 95.1 mt -107.5 118.95 38.06 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.362 1.065 . . . . 72.43 108.307 174.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.427 ' HB2' ' HB ' ' A' ' 9' ' ' THR . . . -132.24 110.31 10.54 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.99 0.516 . . . . 54.32 109.886 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -141.5 166.13 25.61 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 107.767 -1.197 . . . . 73.31 107.767 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -6.86 39.9 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.173 0.589 . . . . 72.34 112.15 175.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -133.4 118.38 18.36 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.029 0.932 . . . . 71.43 110.351 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.755 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -80.65 -22.39 40.55 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.819 1.248 . . . . 74.23 112.223 -179.218 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.59 -49.28 71.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.784 0.834 . . . . 74.31 110.812 -173.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.44 -39.27 88.81 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.526 0.73 . . . . 75.4 110.585 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.586 HD21 ' HB3' ' A' ' 82' ' ' LEU . 81.7 mt -63.96 -38.95 92.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.907 0.483 . . . . 73.35 111.63 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.534 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 32.7 tt0 -69.76 -39.64 76.57 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 123.435 0.459 . . . . 74.42 109.77 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.36 -40.4 94.16 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 124.646 1.178 . . . . 72.44 109.766 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.75 -48.01 64.8 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.807 1.243 . . . . 53.24 111.033 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HG3' ' HA ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -69.72 -18.62 63.54 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.862 0.465 . . . . 75.53 111.437 -173.061 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 27.6 mmm180 -64.81 -36.95 85.98 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.249 0.62 . . . . 75.31 111.195 175.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.24 -47.7 83.23 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.347 0.659 . . . . 74.43 110.456 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.462 HG21 HD23 ' A' ' 80' ' ' LEU . 34.2 mm -67.39 -38.92 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 114.879 -1.055 . . . . 74.54 110.574 -173.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.03 -31.22 64.31 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.838 1.255 . . . . 75.52 110.523 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.5 t -71.92 -21.37 61.63 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.088 0.555 . . . . 74.32 111.015 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -88.05 -3.37 58.91 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.603 0.761 . . . . 74.22 110.859 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.04 36.74 45.46 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.144 0.277 . . . . 55.2 113.388 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -109.6 142.6 40.47 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.441 0.696 . . . . 75.43 109.979 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -74.23 113.73 11.76 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 123.818 0.847 . . . . 64.4 108.792 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.7 p -138.95 127.52 28.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 O-C-N 123.201 0.313 . . . . 74.01 111.311 -173.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -113.83 142.28 46.29 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.771 0.829 . . . . 71.44 110.02 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.755 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -109.58 123.9 50.23 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.964 1.305 . . . . 73.34 108.892 179.093 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.1 m -139.1 163.05 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 124.304 1.042 . . . . 74.5 109.531 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.5 p -128.23 -10.28 5.26 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.631 0.773 . . . . 72.03 112.347 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -109.04 155.03 21.4 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.574 0.35 . . . . 74.04 110.795 -173.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.6 -60.47 2.69 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.767 1.227 . . . . 62.43 111.435 -175.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.26 -27.07 64.14 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.226 0.329 . . . . 73.34 110.115 -175.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.544 ' O ' HG12 ' A' ' 116' ' ' ILE . 9.0 tp10 -61.75 -48.24 81.59 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 123.937 0.773 . . . . 74.51 109.857 174.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.29 -48.78 76.65 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.173 0.589 . . . . 73.25 111.346 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 64.6 mt -55.15 -39.97 70.08 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.253 1.021 . . . . 70.44 111.386 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -62.52 -47.8 82.32 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.742 1.217 . . . . 72.31 110.434 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 112' ' ' GLU . 46.2 mm -68.7 -31.75 52.15 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 O-C-N 123.951 0.782 . . . . 75.13 111.258 -177.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.23 -47.04 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 123.472 0.709 . . . . 72.33 110.222 173.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -68.18 -36.46 79.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.091 -0.959 . . . . 74.23 110.965 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.78 -34.47 75.61 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.044 -0.525 . . . . 72.24 110.959 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -63.19 -38.78 92.51 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.037 0.535 . . . . 73.23 110.791 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.551 ' SD ' ' HA ' ' A' ' 22' ' ' VAL . 77.3 mtm -73.0 -28.51 62.42 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.726 0.639 . . . . 53.33 112.726 -177.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.94 -34.72 44.18 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.588 0.631 . . . . 74.12 110.485 177.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.37 -30.18 68.12 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 122.941 0.496 . . . . 75.24 110.247 171.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.556 ' HB3' HD13 ' A' ' 3' ' ' ILE . . . -77.11 -29.24 54.73 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.4 -0.818 . . . . 73.5 110.685 177.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.32 -24.23 70.53 Favored Glycine 0 C--N 1.349 1.265 0 N-CA-C 112.189 -0.364 . . . . 73.4 112.189 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.9 t -72.71 -21.88 60.98 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.246 1.018 . . . . 72.43 110.569 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.96 -14.84 58.29 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.879 0.871 . . . . 74.01 111.283 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.1 -27.95 69.74 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.49 0.662 . . . . 75.43 109.968 172.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -81.01 140.88 34.9 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 107.852 -1.166 . . . . 75.45 107.852 170.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -55.48 102.43 0.07 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.594 0.758 . . . . 75.25 111.17 -175.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -93.1 113.75 26.09 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.615 0.766 . . . . 73.25 109.123 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -74.47 121.89 22.18 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.74 0.816 . . . . 73.35 110.657 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -118.22 160.65 21.22 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 108.3 -1.0 . . . . 74.25 108.3 168.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 . . . . . 0 CA--C 1.558 1.257 0 N-CA-C 109.298 -0.631 . . . . 71.34 109.298 174.815 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.731 -0.47 . . . . 74.43 109.731 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.472 ' NZ ' ' HA ' ' A' ' 45' ' ' LEU . 69.2 tttt -158.87 134.46 8.69 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.049 -1.093 . . . . 65.42 108.049 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.414 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 68.4 mt -107.7 123.29 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 122.851 0.46 . . . . 73.34 110.137 -175.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.41 HD21 HD21 ' A' ' 45' ' ' LEU . 11.1 mp -118.98 141.94 48.22 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 108.62 -0.881 . . . . 74.24 108.62 171.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.9 mt -124.75 112.35 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 107.12 -1.437 . . . . 73.51 107.12 167.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.425 ' HB2' HD12 ' A' ' 80' ' ' LEU . 81.8 mt -88.2 137.04 32.68 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.459 -0.941 . . . . 63.1 108.459 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.4 mm -127.95 115.83 40.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 108.112 -1.07 . . . . 75.4 108.112 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -127.94 103.55 7.31 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 107.588 -1.264 . . . . 73.33 107.588 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 8.1 t -129.43 145.35 51.43 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.254 -0.884 . . . . 74.23 109.948 174.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -73.53 -19.59 60.87 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 115.225 -0.898 . . . . 73.51 111.061 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -109.51 115.3 29.66 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.26 0.552 . . . . 74.32 110.369 173.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.74 -19.44 64.34 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.46 0.704 . . . . 73.54 111.498 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -55.54 -38.47 69.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.273 0.629 . . . . 72.21 110.923 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 110' ' ' ASP . 19.4 tp -64.69 -44.86 88.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.105 -0.952 . . . . 73.03 111.229 176.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.516 HD12 ' HG3' ' A' ' 57' ' ' LYS . 57.2 mt -60.16 -41.29 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.796 0.438 . . . . 60.04 110.747 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.497 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 10.5 mtmp? -61.57 -26.9 68.25 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.568 0.542 . . . . 73.33 112.129 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' A' ' 110' ' ' ASP . 36.7 mtmm -78.93 -46.43 18.4 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.808 0.443 . . . . 74.14 111.413 170.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.18 -32.15 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.207 1.003 . . . . 74.35 111.254 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 28.9 mtpp -57.45 -53.17 61.21 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.418 -0.81 . . . . 64.33 109.608 174.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -65.23 -34.13 77.62 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.628 -0.715 . . . . 75.52 111.017 -175.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.56 -53.89 53.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.597 0.759 . . . . 74.41 110.275 174.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.501 HG11 HD11 ' A' ' 55' ' ' LEU . 19.2 m -76.37 -17.5 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 N-CA-C 112.531 0.567 . . . . 62.25 112.531 -173.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 28.9 mm-40 -62.36 -33.1 74.08 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.406 0.282 . . . . 71.32 111.506 174.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -59.62 -29.48 68.04 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.379 0.672 . . . . 63.53 112.058 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -110.37 8.65 23.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.539 0.736 . . . . 74.31 112.755 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.14 38.32 59.35 Favored Glycine 0 C--N 1.344 0.976 0 N-CA-C 114.425 0.53 . . . . 75.53 114.425 170.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -79.82 157.65 26.98 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 121.105 0.479 . . . . 74.23 110.423 172.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -106.0 113.94 27.79 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.821 1.248 . . . . 73.32 108.023 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.8 t -89.56 124.36 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-O 120.917 0.389 . . . . 64.14 110.407 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' HE ' ' HB3' ' A' ' 41' ' ' GLU . 23.8 tpt180 -128.04 118.88 24.29 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.737 1.215 . . . . 73.45 108.568 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -100.91 120.97 40.94 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.444 0.64 . . . . 75.41 110.829 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.414 HG23 ' HG2' ' A' ' 41' ' ' GLU . 42.4 t -88.3 114.1 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 125.118 1.367 . . . . 74.41 109.066 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.456 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 6.0 m120 -91.59 -24.13 19.67 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.459 0.704 . . . . 72.03 111.884 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -161.2 172.15 17.19 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.299 0.639 . . . . 60.23 109.954 -171.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.3 p -63.25 -27.6 69.45 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.591 0.756 . . . . 72.14 111.757 176.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.92 -50.44 68.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.736 0.815 . . . . 74.42 109.1 172.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.456 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 57.5 mm-40 -59.48 -33.28 71.13 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.918 -1.037 . . . . 74.54 111.109 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 67' ' ' MET . 36.3 tp -62.58 -56.19 20.22 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 123.749 0.656 . . . . 74.41 110.639 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -65.79 -29.02 69.46 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 111.599 0.222 . . . . 73.24 111.599 -177.459 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.76 -51.64 68.88 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.871 0.468 . . . . 75.34 111.138 174.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.17 -24.02 40.66 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.263 -0.426 . . . . 62.24 111.203 -178.06 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.525 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 40.8 mmm -65.09 -30.48 71.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.984 0.514 . . . . 73.44 110.979 174.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.1 -35.61 76.64 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.744 0.307 . . . . 73.24 110.481 170.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.446 ' HZ1' ' HB3' ' A' ' 44' ' ' LYS . 1.6 mmmp? -70.36 -27.31 64.24 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.885 0.474 . . . . 72.13 110.562 176.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 76.9 mt -83.54 -43.49 15.66 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.717 0.807 . . . . 75.31 111.44 178.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.57 -51.08 5.43 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.07 0.767 . . . . 74.41 113.07 -168.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.46 -46.43 76.41 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.688 -0.856 . . . . 72.03 108.688 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' HB3' ' ND2' ' A' ' 50' ' ' ASN . 10.6 mm-40 -95.82 102.63 14.44 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.044 -0.98 . . . . 71.22 109.922 175.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -102.52 17.36 23.84 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.817 -0.628 . . . . 73.13 109.759 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.422 ' ND2' ' HB3' ' A' ' 48' ' ' GLU . 8.7 p30 -62.94 150.61 41.71 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.147 0.579 . . . . 75.41 109.748 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.08 107.16 1.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 109.879 -0.415 . . . . 52.43 109.879 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -146.15 142.2 28.24 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 123.654 0.782 . . . . 75.5 108.935 175.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 53.8 mtmt -99.72 112.98 25.17 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.149 0.98 . . . . 72.11 108.37 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.7 121.08 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 O-C-N 123.359 0.412 . . . . 71.33 110.442 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.501 HD11 HG11 ' A' ' 22' ' ' VAL . 19.3 tp -84.18 108.39 17.05 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.09 -1.078 . . . . 74.44 108.09 167.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.615 HG23 ' HE1' ' A' ' 67' ' ' MET . 35.5 mm -91.42 121.93 42.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.896 0.379 . . . . 75.32 110.135 176.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.516 ' HG3' HD12 ' A' ' 15' ' ' ILE . 64.3 tttt -93.37 143.54 26.18 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.073 -1.084 . . . . 73.31 108.073 162.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.405 ' HB3' HD12 ' A' ' 64' ' ' LEU . 34.4 t -153.84 127.77 8.9 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.917 -0.771 . . . . 73.21 108.917 169.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -74.47 -37.49 63.18 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.965 0.791 . . . . 73.4 110.175 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -84.68 128.18 34.47 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.9 -0.591 . . . . 72.31 109.494 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.592 ' HZ1' ' HG2' ' A' ' 89' ' ' GLU . 33.0 mtpt -79.7 -26.62 40.85 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.346 1.058 . . . . 74.51 111.613 -170.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 24.5 mm-40 -72.32 -38.41 68.67 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.596 0.358 . . . . 75.13 110.61 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.443 HD22 HD23 ' A' ' 38' ' ' LEU . 83.3 mt -53.1 -32.77 49.03 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 124.21 0.944 . . . . 75.11 112.786 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 58' ' ' SER . 7.1 mp -65.23 -43.43 91.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.266 0.627 . . . . 73.31 111.123 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -66.4 -45.73 78.98 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.573 0.545 . . . . 74.51 110.481 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 6.4 mm-40 -64.75 -31.37 72.57 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.91 0.884 . . . . 74.13 111.007 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.615 ' HE1' HG23 ' A' ' 56' ' ' ILE . 41.5 ttm -69.64 -54.51 13.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.033 0.933 . . . . 73.34 110.13 175.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.466 HD22 HD11 ' A' ' 71' ' ' ILE . 81.1 mt -60.9 -31.57 71.07 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.049 0.94 . . . . 73.34 112.053 -175.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.16 -47.14 69.03 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.772 1.229 . . . . 75.52 110.266 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.1 mt -81.21 -31.89 33.72 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.107 -0.951 . . . . 73.44 111.459 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.545 HG23 HG22 ' A' ' 78' ' ' VAL . 50.7 mt -61.63 -30.43 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 123.897 0.879 . . . . 63.31 111.33 176.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.3 t -56.4 -31.84 64.25 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.566 0.746 . . . . 72.5 112.016 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.597 ' HZ3' ' HB3' ' A' ' 73' ' ' LYS . 8.2 mtpm? -75.69 -35.94 60.19 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.88 -0.6 . . . . 63.45 111.467 176.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.42 -35.29 77.42 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.392 0.677 . . . . 73.14 111.366 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.74 76.15 0.52 Allowed Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.286 -0.87 . . . . 75.42 113.46 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -151.89 168.76 24.13 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.447 0.699 . . . . 75.31 109.951 171.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -86.44 123.18 31.38 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.411 0.684 . . . . 75.45 109.361 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.545 HG22 HG23 ' A' ' 71' ' ' ILE . 43.2 t -119.58 144.45 28.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 124.519 1.127 . . . . 75.15 109.375 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -106.8 155.9 19.23 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.392 1.077 . . . . 74.12 108.387 172.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.453 HD21 HG22 ' A' ' 97' ' ' ILE . 15.0 tp -147.93 131.74 17.02 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.129 0.572 . . . . 74.52 109.743 176.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.493 HD23 ' HB1' ' A' ' 113' ' ' ALA . 40.8 tp -121.56 124.03 43.39 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.207 -0.906 . . . . 74.32 108.744 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.571 ' HB3' HD21 ' A' ' 90' ' ' LEU . 74.7 mt -110.91 125.98 54.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.634 -1.166 . . . . 75.12 108.157 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -138.37 121.5 16.84 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 121.064 0.459 . . . . 74.54 110.168 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 90' ' ' LEU . 35.6 t0 -168.6 150.91 5.06 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 107.06 -1.459 . . . . 73.12 107.06 -176.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -65.45 -34.84 79.24 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 123.735 0.647 . . . . 75.24 109.312 176.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.79 83.54 7.68 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 115.589 -0.732 . . . . 72.23 109.254 171.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.753 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 9.7 pt-20 -75.24 -21.19 58.78 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 114.814 -1.084 . . . . 72.13 112.074 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -62.43 -39.22 92.62 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.875 0.87 . . . . 73.11 110.519 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.592 ' HG2' ' HZ1' ' A' ' 61' ' ' LYS . 7.6 tp10 -60.4 -46.73 88.93 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.73 -1.123 . . . . 65.34 109.94 173.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.571 HD21 ' HB3' ' A' ' 82' ' ' LEU . 45.4 mt -70.14 -28.09 65.07 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 114.741 -1.118 . . . . 74.33 111.436 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.434 ' HA ' ' HG3' ' A' ' 94' ' ' LYS . 46.6 mt-10 -70.85 -48.41 54.06 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.488 0.493 . . . . 74.22 110.055 177.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.453 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 3.5 mm-40 -58.18 -37.26 74.4 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.655 0.597 . . . . 73.33 110.847 174.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -57.5 10.91 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.401 1.08 . . . . 74.45 109.6 177.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' HG3' ' HA ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -71.26 -24.77 62.23 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.674 0.62 . . . . 74.11 112.674 -170.509 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -66.16 -34.75 78.75 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.701 0.4 . . . . 74.21 111.118 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.453 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 13.6 mptt -73.58 -52.99 11.59 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.91 0.484 . . . . 75.23 109.815 175.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.5 HG21 ' HB2' ' A' ' 102' ' ' TYR . 40.1 mm -61.71 -42.03 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.778 0.831 . . . . 75.13 111.872 -173.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.68 -41.77 95.82 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.612 0.765 . . . . 72.41 109.994 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.5 t -65.81 -28.66 69.16 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.326 0.65 . . . . 70.0 111.179 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 49.0 mt-30 -80.37 -5.39 56.36 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.889 0.876 . . . . 73.21 111.695 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.17 45.21 4.5 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.194 0.309 . . . . 65.23 112.735 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.5 ' HB2' HG21 ' A' ' 97' ' ' ILE . 92.9 m-85 -124.54 151.06 45.17 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.458 0.703 . . . . 75.44 109.699 175.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -80.38 115.27 19.83 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.249 -1.019 . . . . 74.33 108.249 172.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.8 p -139.34 136.37 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 122.902 0.481 . . . . 62.22 110.074 -178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -129.15 146.66 51.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.104 0.562 . . . . 73.11 110.001 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.753 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.8 OUTLIER -112.19 119.06 37.07 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.773 -1.103 . . . . 70.44 108.315 -179.734 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.6 m -129.77 -176.8 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.519 1.128 . . . . 74.53 109.255 175.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.1 p -131.34 -57.19 1.01 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.353 0.661 . . . . 54.05 110.343 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.72 159.16 22.63 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.388 0.675 . . . . 73.03 111.968 -171.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.533 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . 6.6 m-20 -62.78 -59.36 4.98 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 124.68 1.192 . . . . 74.41 112.832 -176.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.32 -21.34 58.5 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.771 0.319 . . . . 75.23 111.057 -171.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.35 -47.75 75.36 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.214 -0.903 . . . . 74.34 110.024 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.493 ' HB1' HD23 ' A' ' 81' ' ' LEU . . . -62.07 -39.33 92.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.082 -0.963 . . . . 65.53 111.885 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.2 -36.78 75.97 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.442 0.697 . . . . 72.04 111.986 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -59.24 -44.22 92.37 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.113 0.565 . . . . 71.3 110.524 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 22.2 mm -72.48 -32.73 42.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.07 -0.968 . . . . 75.11 110.786 -175.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 86.1 t -60.93 -47.64 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.202 0.601 . . . . 74.31 109.587 172.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 97.4 mtt180 -60.83 -37.89 83.6 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 123.928 0.767 . . . . 73.02 110.882 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.419 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 29.8 mm-40 -61.7 -48.49 80.53 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.697 0.623 . . . . 74.52 110.471 174.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -60.78 -30.13 69.86 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.264 0.626 . . . . 72.1 111.803 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 77.4 mtp -75.78 -27.48 58.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.803 0.841 . . . . 63.21 111.202 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 22.5 mm-40 -73.74 -42.73 60.72 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.483 0.659 . . . . 75.31 109.28 175.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 53.2 mttm -69.3 -39.89 78.01 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 114.243 -1.344 . . . . 71.12 110.594 -177.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.0 -31.77 66.55 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.78 -0.645 . . . . 64.35 110.239 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.96 -36.75 92.7 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 115.729 -0.668 . . . . 73.45 111.629 171.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.1 m -75.4 -24.04 57.12 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.63 0.772 . . . . 71.34 111.602 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 96.7 mt -75.69 -50.64 14.78 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.915 0.486 . . . . 75.04 110.447 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.78 -45.8 84.8 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.711 -0.677 . . . . 74.35 110.485 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -91.29 75.98 6.04 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 106.558 -1.645 . . . . 74.23 106.558 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -71.46 80.8 0.78 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 108.722 -0.844 . . . . 74.02 108.722 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -82.76 148.64 27.71 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.385 -1.279 . . . . 74.14 110.375 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -71.0 152.15 43.89 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.498 0.719 . . . . 75.13 111.093 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -124.24 167.31 14.47 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.925 0.89 . . . . 71.44 109.268 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.78 -0.629 . . . . 74.23 109.571 175.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 108.305 -0.998 . . . . 74.4 108.305 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -129.12 148.13 51.03 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.722 -0.844 . . . . 72.14 108.722 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.0 mt -91.75 105.65 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.201 -1.037 . . . . 74.41 108.201 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 mp -107.95 135.65 48.97 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.664 -0.865 . . . . 71.2 108.664 174.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.1 mt -123.66 111.12 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 107.62 -1.252 . . . . 74.13 107.62 169.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.553 HD23 ' SD ' ' A' ' 67' ' ' MET . 88.1 mt -89.89 129.73 36.21 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.371 0.668 . . . . 74.44 109.308 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.4 mm -117.92 117.98 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.615 -0.884 . . . . 71.52 108.615 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -129.87 102.57 6.36 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.609 -0.885 . . . . 61.41 108.609 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t -129.81 147.8 51.62 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.058 0.943 . . . . 71.51 110.047 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -62.09 -49.16 77.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.594 0.758 . . . . 73.21 109.898 176.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -86.41 117.1 24.99 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 121.165 0.507 . . . . 72.35 110.278 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.06 -27.25 65.47 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.163 0.985 . . . . 62.32 112.043 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.49 -29.81 68.11 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.694 0.798 . . . . 75.41 112.013 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.64 -41.05 93.05 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.256 -0.429 . . . . 75.51 111.323 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.52 HG23 ' HG2' ' A' ' 57' ' ' LYS . 33.3 mt -60.9 -37.28 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 123.291 0.369 . . . . 74.33 110.175 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -56.82 -39.47 74.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.001 0.92 . . . . 70.13 111.211 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -69.24 -47.79 63.72 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.147 -0.933 . . . . 74.43 110.102 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.69 -35.56 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.507 1.123 . . . . 73.24 111.017 -176.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -61.78 -56.59 17.86 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 115.557 -0.747 . . . . 72.13 110.038 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -68.75 -24.19 64.42 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.482 0.489 . . . . 73.04 111.536 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -62.06 -50.83 70.43 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.079 0.952 . . . . 74.11 110.435 173.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.433 HG13 ' SD ' ' A' ' 121' ' ' MET . 32.4 m -84.32 -25.79 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 115.718 -0.674 . . . . 71.23 112.465 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -68.06 -28.12 67.1 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.466 0.706 . . . . 65.31 111.12 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -54.36 -40.38 68.03 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.239 0.616 . . . . 73.15 110.049 170.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -97.67 11.54 36.72 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 114.791 -1.095 . . . . 75.55 112.696 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.28 37.61 27.7 Favored Glycine 0 C--N 1.346 1.131 0 N-CA-C 114.234 0.454 . . . . 73.44 114.234 171.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -89.78 122.79 33.19 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.807 0.443 . . . . 74.14 109.96 172.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -78.2 113.25 15.98 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.153 0.981 . . . . 72.4 109.284 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' ' 55' ' ' LEU . 38.1 t -94.72 134.49 31.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 122.807 0.443 . . . . 72.11 110.386 -175.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -142.99 150.91 40.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.572 1.149 . . . . 74.41 108.242 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -116.93 150.09 39.08 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.871 0.868 . . . . 74.33 110.604 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.3 t -95.68 122.45 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 N-CA-C 108.262 -1.014 . . . . 71.31 108.262 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.602 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 40.9 m-80 -103.61 -11.08 17.93 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.921 0.489 . . . . 73.24 111.802 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -173.28 170.21 4.32 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.619 0.768 . . . . 75.13 109.922 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 t -62.41 -27.09 68.86 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.753 0.821 . . . . 73.24 110.895 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.443 ' HA ' ' HZ2' ' A' ' 39' ' ' LYS . 10.2 t70 -65.45 -50.05 66.84 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.227 1.011 . . . . 72.43 109.231 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.602 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 16.4 mm-40 -63.06 -37.11 85.9 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.729 -1.123 . . . . 74.11 110.762 177.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 42' ' ' MET . 49.7 tp -58.25 -53.17 61.26 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 124.75 1.281 . . . . 73.14 110.759 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HZ2' ' HA ' ' A' ' 36' ' ' ASP . 1.9 pptp? -69.06 -29.47 67.61 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 111.807 0.299 . . . . 73.51 111.807 -177.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -59.06 -50.55 73.66 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.32 0.387 . . . . 73.24 110.531 172.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 6.1 pt-20 -77.36 -19.0 56.88 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.954 -0.546 . . . . 70.32 111.375 -179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.684 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 83.9 mmm -66.8 -28.96 68.8 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 118.4 0.546 . . . . 74.2 110.868 170.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -38.29 88.59 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 117.331 0.06 . . . . 74.41 111.137 167.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.65 -41.23 92.82 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 120.915 0.388 . . . . 74.23 110.418 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.0 mt -77.93 -46.23 21.79 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.751 0.82 . . . . 73.22 111.561 -175.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.56 -49.89 6.06 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.262 0.625 . . . . 75.13 112.576 -171.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -78.89 -47.45 16.49 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 120.63 0.252 . . . . 65.02 110.662 -172.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -82.78 76.69 9.61 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.852 0.834 . . . . 71.43 109.437 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -80.76 86.19 6.0 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.509 -1.223 . . . . 75.12 109.284 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -136.73 130.83 32.6 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 107.574 -1.269 . . . . 74.05 107.574 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -65.28 117.42 7.81 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.889 0.475 . . . . 70.41 109.908 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -160.22 168.19 25.94 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.33 0.652 . . . . 72.23 110.659 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -100.41 122.65 43.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.272 1.029 . . . . 64.22 109.895 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.9 mt -133.2 129.69 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.716 0.807 . . . . 74.14 109.812 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.405 ' HB3' HG23 ' A' ' 29' ' ' VAL . 26.3 tp -106.66 129.5 54.55 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 108.067 -1.086 . . . . 74.02 108.067 167.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.549 HG23 ' HE2' ' A' ' 67' ' ' MET . 48.6 mm -108.74 128.12 64.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 109.517 -0.549 . . . . 74.24 109.517 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.52 ' HG2' HG23 ' A' ' 15' ' ' ILE . 13.9 tmtt? -97.7 130.45 44.68 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 124.978 1.311 . . . . 74.25 108.207 177.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.532 ' HB3' HD12 ' A' ' 64' ' ' LEU . 46.8 t -161.5 149.8 15.5 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.317 -0.623 . . . . 75.3 109.317 172.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -115.73 10.26 15.38 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.936 0.894 . . . . 71.21 109.384 173.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -119.18 104.13 10.15 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.272 1.029 . . . . 74.44 109.408 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -58.89 -24.91 62.86 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.493 1.117 . . . . 72.34 112.224 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.524 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 16.0 mm100 -61.43 -46.05 91.75 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.824 1.25 . . . . 74.45 111.92 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.0 mt -64.91 -33.29 75.68 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 114.895 -1.048 . . . . 72.22 110.824 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 58' ' ' SER . 8.5 mp -70.87 -36.94 73.03 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.764 -0.653 . . . . 74.23 110.819 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.524 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 59.2 mtpt -57.95 -55.74 31.03 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.115 0.566 . . . . 73.34 110.457 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.81 -36.97 77.86 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 124.255 0.972 . . . . 75.33 111.278 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.684 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 46.6 ttm -62.32 -52.23 64.49 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.136 -0.938 . . . . 72.44 110.378 176.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.486 HD23 HD13 ' A' ' 71' ' ' ILE . 88.1 mt -68.66 -24.82 64.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.375 1.07 . . . . 75.31 112.215 -174.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -61.69 -42.28 98.71 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.178 0.513 . . . . 64.43 109.999 173.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.514 ' HB2' ' HE3' ' A' ' 42' ' ' MET . 72.7 mt -83.72 -27.0 29.27 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.749 0.82 . . . . 75.24 111.956 -177.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.508 HG21 HG21 ' A' ' 78' ' ' VAL . 81.0 mt -70.69 -29.93 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.106 0.562 . . . . 74.3 110.163 173.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.7 t -58.34 -25.42 61.93 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.473 0.709 . . . . 71.11 111.677 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -74.68 -34.21 62.62 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.554 0.742 . . . . 75.4 110.16 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 40.4 mt -79.43 -49.91 11.61 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.394 1.078 . . . . 73.11 111.646 -174.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.15 89.16 0.31 Allowed Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.048 -0.524 . . . . 64.54 113.122 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -161.02 173.7 14.84 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.638 0.775 . . . . 75.32 110.899 172.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -71.89 111.38 7.1 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 115.246 -0.888 . . . . 74.21 111.353 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 71' ' ' ILE . 63.6 t -112.25 124.66 69.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 107.522 -1.288 . . . . 74.0 107.522 166.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -101.33 107.27 18.58 Favored 'General case' 0 C--O 1.226 -0.169 0 N-CA-C 108.205 -1.035 . . . . 74.04 108.205 -177.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.433 HD22 HG23 ' A' ' 97' ' ' ILE . 22.7 tp -104.49 132.12 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.579 -0.526 . . . . 74.33 109.579 -177.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.44 HD23 ' HB1' ' A' ' 113' ' ' ALA . 43.0 tp -123.67 126.84 47.3 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.297 -0.865 . . . . 71.2 109.006 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.513 ' HB3' HD22 ' A' ' 90' ' ' LEU . 71.0 mt -111.37 142.26 43.84 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.202 1.001 . . . . 74.42 108.446 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -147.63 123.97 10.93 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.896 0.379 . . . . 72.32 111.089 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -178.03 155.75 0.99 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.669 1.588 . . . . 74.44 107.821 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -62.21 -39.03 91.38 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.573 0.749 . . . . 75.04 111.5 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.84 90.53 4.08 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 107.819 -1.178 . . . . 75.0 107.819 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.449 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 11.8 pt-20 -66.29 -22.77 66.3 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.926 -1.033 . . . . 75.0 111.289 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -76.31 -37.88 56.82 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 124.194 0.998 . . . . 74.11 110.972 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -49.5 77.22 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 108.179 -1.045 . . . . 74.44 108.179 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 82' ' ' LEU . 70.7 mt -69.52 -33.89 73.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.821 -1.536 . . . . 73.44 111.546 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.424 ' HG2' ' HD2' ' A' ' 95' ' ' ARG . 36.1 tt0 -61.48 -51.55 68.22 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 123.414 0.446 . . . . 72.13 109.869 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.441 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 12.0 mm-40 -54.2 -36.16 63.16 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.124 0.89 . . . . 75.0 111.756 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.445 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.2 t80 -66.98 -56.37 10.43 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.557 -0.747 . . . . 75.34 110.64 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' HG2' ' HB2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -75.21 -19.48 59.76 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.539 -0.755 . . . . 73.25 112.743 -167.624 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.424 ' HD2' ' HG2' ' A' ' 91' ' ' GLU . 63.7 mtp180 -61.55 -46.66 88.99 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.502 0.501 . . . . 74.44 109.953 175.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.441 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 1.1 mptm? -71.79 -39.85 69.63 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.692 0.797 . . . . 74.1 110.342 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.509 HG22 ' HB2' ' A' ' 102' ' ' TYR . 50.6 mm -64.64 -38.45 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.36 0.664 . . . . 71.31 110.922 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.74 -36.06 82.51 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.749 0.82 . . . . 75.21 109.572 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.8 m -70.79 -28.61 64.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.201 0.601 . . . . 62.3 111.169 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -74.03 -18.1 60.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.048 0.539 . . . . 72.21 110.684 175.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.26 42.01 2.29 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.426 0.454 . . . . 72.5 112.738 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.509 ' HB2' HG22 ' A' ' 97' ' ' ILE . 76.1 m-85 -117.71 138.48 51.98 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.976 0.51 . . . . 73.4 110.87 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -73.99 101.01 3.71 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 108.049 -1.093 . . . . 75.35 108.049 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.4 p -133.96 134.59 55.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-N 116.131 -0.486 . . . . 72.43 110.657 -171.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -129.07 149.62 50.81 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.546 0.738 . . . . 73.0 109.672 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.449 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.5 OUTLIER -116.55 126.23 53.01 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.89 1.276 . . . . 71.43 108.342 -179.641 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.13 175.47 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.723 0.809 . . . . 74.32 110.106 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.0 p -127.62 -34.8 2.18 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.586 0.754 . . . . 75.54 110.653 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.46 149.01 21.56 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.119 0.568 . . . . 72.44 110.366 -176.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.71 -48.04 67.67 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.071 0.948 . . . . 74.21 110.72 175.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.45 -41.06 84.26 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.179 -0.919 . . . . 72.21 111.259 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -66.22 -43.47 86.56 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.342 1.057 . . . . 74.01 110.713 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.44 ' HB1' HD23 ' A' ' 81' ' ' LEU . . . -58.33 -44.85 88.88 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.098 0.874 . . . . 62.31 111.822 -179.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.47 -34.36 77.6 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 124.099 0.874 . . . . 75.35 111.895 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.485 ' HZ2' ' HB3' ' A' ' 115' ' ' LYS . 7.9 mtpm? -62.61 -45.83 91.06 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.798 0.686 . . . . 74.43 109.699 174.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.9 mm -68.59 -32.84 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.357 0.663 . . . . 73.22 111.284 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 113' ' ' ALA . 69.2 t -60.47 -50.23 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.179 0.592 . . . . 75.4 109.673 173.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 82.7 mtt180 -61.66 -33.16 73.48 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.492 -0.776 . . . . 75.21 110.363 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.13 -52.45 59.07 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 123.787 0.68 . . . . 75.54 110.444 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.409 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 14.1 m-85 -53.57 -35.2 60.53 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.927 0.891 . . . . 70.1 112.082 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.433 ' SD ' HG13 ' A' ' 22' ' ' VAL . 89.2 mtp -76.45 -21.78 55.45 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.098 0.959 . . . . 71.4 111.651 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 22.7 mm-40 -72.79 -42.07 64.31 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 109.82 -0.437 . . . . 74.04 109.82 171.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.474 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 3.0 mptp? -64.62 -40.93 96.36 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 109.471 -0.566 . . . . 73.2 109.471 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.456 ' HA ' HD11 ' A' ' 127' ' ' LEU . . . -64.61 -37.44 87.57 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.854 0.862 . . . . 72.41 110.672 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.65 94.18 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.302 -0.863 . . . . 73.25 112.272 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.2 m -63.91 -27.58 69.25 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.422 0.689 . . . . 73.1 111.869 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 69.8 mt -68.12 -40.35 82.55 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.441 0.696 . . . . 70.44 110.281 176.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -77.15 -24.72 51.56 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 114.706 -1.133 . . . . 75.43 111.127 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -72.32 81.9 1.03 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.089 -1.078 . . . . 74.51 108.089 170.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -83.35 127.24 33.51 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.354 -0.839 . . . . 71.12 109.938 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -75.28 12.53 0.92 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.591 0.757 . . . . 73.4 112.416 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -68.7 92.15 0.46 Allowed 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 108.133 -1.062 . . . . 73.43 108.133 167.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -59.62 122.34 13.86 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.335 1.054 . . . . 72.41 111.58 -174.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 . . . . . 0 CA--C 1.55 0.951 0 C-N-CA 123.89 0.876 . . . . 74.3 108.996 176.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.331 -0.618 . . . . 72.54 109.331 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -148.56 153.02 37.8 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 109.407 -0.59 . . . . 75.01 109.407 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.464 HD13 ' HG2' ' A' ' 53' ' ' LYS . 75.4 mt -92.75 115.75 32.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 C-N-CA 123.715 0.806 . . . . 73.34 109.254 174.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.752 HD22 HD12 ' A' ' 45' ' ' LEU . 11.0 mp -112.96 133.64 54.83 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.262 -1.014 . . . . 73.23 108.262 166.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.428 HG12 ' HB2' ' A' ' 79' ' ' PHE . 37.3 mt -120.77 110.55 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 107.499 -1.297 . . . . 75.23 107.499 166.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.616 HD22 ' SD ' ' A' ' 67' ' ' MET . 88.6 mt -86.74 137.82 32.13 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.571 0.748 . . . . 72.24 109.011 178.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -122.88 116.99 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 108.006 -1.109 . . . . 74.44 108.006 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.413 ' HB3' HD21 ' A' ' 82' ' ' LEU . 27.3 t30 -127.79 101.0 6.17 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.667 -1.234 . . . . 74.5 107.667 171.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.2 t -130.97 146.23 52.3 Favored 'General case' 0 C--O 1.244 0.763 0 C-N-CA 123.914 0.886 . . . . 75.21 109.845 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -62.56 -43.84 97.82 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.505 0.722 . . . . 73.23 111.228 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -91.81 114.3 26.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.09 0.556 . . . . 72.41 110.348 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.37 -31.53 71.42 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.642 1.177 . . . . 74.42 112.057 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.71 -31.68 68.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.951 0.9 . . . . 74.22 112.034 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 18' ' ' ILE . 45.6 tp -66.97 -40.07 87.38 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.496 0.719 . . . . 74.45 110.619 175.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.539 HD12 ' HG3' ' A' ' 57' ' ' LYS . 34.0 mt -62.86 -41.34 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 122.728 0.411 . . . . 74.13 110.6 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HB3' ' HZ1' ' A' ' 16' ' ' LYS . 3.7 mmmp? -51.37 -36.3 42.62 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.882 0.873 . . . . 72.1 111.247 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -77.68 -44.12 29.04 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.22 1.008 . . . . 72.52 111.114 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.469 HG12 HG22 ' A' ' 117' ' ' VAL . 74.6 mt -62.79 -29.44 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.118 0.967 . . . . 75.13 111.064 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HG2' HG11 ' A' ' 29' ' ' VAL . 57.7 mtpt -61.13 -57.85 10.79 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.058 0.543 . . . . 73.34 109.931 174.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.73 -26.05 67.57 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.046 0.538 . . . . 75.02 111.371 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.88 -54.81 32.9 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.073 0.949 . . . . 71.14 110.083 175.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.428 HG11 HD12 ' A' ' 55' ' ' LEU . 23.2 m -76.45 -23.19 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 115.863 -0.608 . . . . 72.41 112.113 -175.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.74 -26.07 68.2 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.565 0.746 . . . . 73.33 111.722 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -60.13 -28.98 68.33 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.82 0.448 . . . . 63.14 111.447 174.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.96 18.86 20.22 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.504 0.722 . . . . 74.12 111.785 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.57 24.02 73.76 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 114.925 0.73 . . . . 74.21 114.925 169.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -77.45 142.16 39.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.99 0.424 . . . . 63.35 110.17 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -78.81 160.33 27.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.036 1.334 . . . . 74.41 108.313 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.528 HG11 ' HG2' ' A' ' 19' ' ' LYS . 23.7 t -136.55 138.97 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 118.546 0.612 . . . . 74.02 109.466 173.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -137.99 143.34 40.59 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.683 0.793 . . . . 73.1 110.359 173.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.89 116.22 28.54 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.327 1.051 . . . . 74.12 108.553 172.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.531 HG11 HD13 ' A' ' 63' ' ' LEU . 73.0 t -97.91 108.43 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.403 -1.332 . . . . 64.33 107.403 167.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -107.65 -14.94 14.7 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.626 0.77 . . . . 73.12 111.476 -169.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -153.7 165.22 36.67 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.354 0.662 . . . . 72.54 109.752 -171.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 t -66.13 -31.72 72.75 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.115 0.966 . . . . 73.53 111.424 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.9 -43.09 80.09 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 108.574 -0.899 . . . . 64.44 108.574 175.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -61.11 -34.68 75.34 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.575 0.547 . . . . 73.42 111.239 174.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.539 HD11 ' HB2' ' A' ' 67' ' ' MET . 36.6 tp -62.02 -54.74 37.29 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 124.096 0.872 . . . . 74.4 110.256 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -25.52 63.77 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.49 -0.323 . . . . 75.33 111.295 -176.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 40' ' ' LYS . 6.9 mmpt? -59.89 -57.84 11.12 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.509 0.324 . . . . 74.11 110.372 176.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.3 pp20? -76.47 -30.63 57.37 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.946 -0.57 . . . . 74.4 111.786 -176.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.73 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 50.1 mmm -64.05 -31.38 72.55 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 117.785 0.266 . . . . 71.12 111.472 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 mptp? -71.21 -29.22 64.87 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.572 0.349 . . . . 74.34 110.473 172.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -73.14 -34.69 66.23 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 110.013 -0.366 . . . . 74.41 110.013 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.752 HD12 HD22 ' A' ' 4' ' ' LEU . 35.0 mt -75.68 -28.42 58.65 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.033 0.933 . . . . 74.43 110.325 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.54 -50.06 8.63 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 123.226 0.611 . . . . 73.33 111.98 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -74.19 -45.88 45.58 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.075 0.465 . . . . 75.15 110.412 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -102.51 74.75 1.4 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.319 -0.993 . . . . 73.54 108.319 175.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.484 ' HD3' HD22 ' A' ' 74' ' ' LEU . 26.3 ttpp -89.52 16.21 8.06 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 121.974 0.892 . . . . 75.0 110.976 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -61.61 165.88 4.64 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.509 1.124 . . . . 72.23 110.817 172.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -71.89 128.66 36.44 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 110.058 -0.349 . . . . 72.33 110.058 -177.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -161.95 145.59 12.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.416 0.687 . . . . 72.22 109.524 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HG2' HD13 ' A' ' 3' ' ' ILE . 86.9 mttt -93.78 105.13 17.18 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.104 0.961 . . . . 72.4 108.48 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.4 mt -125.34 134.8 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.212 0.605 . . . . 72.23 109.94 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.428 HD12 HG11 ' A' ' 22' ' ' VAL . 13.5 tp -106.55 110.71 22.99 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 125.238 1.415 . . . . 73.52 107.545 173.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.691 HG23 ' HE1' ' A' ' 67' ' ' MET . 40.3 mm -93.54 125.13 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.325 0.583 . . . . 73.42 109.884 176.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.539 ' HG3' HD12 ' A' ' 15' ' ' ILE . 77.9 tttt -93.75 144.2 25.63 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.997 1.319 . . . . 71.44 110.21 175.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.492 ' HB3' HD13 ' A' ' 64' ' ' LEU . 31.3 t -167.46 174.15 8.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.611 1.165 . . . . 74.42 108.692 168.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -143.15 16.25 1.9 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.104 0.962 . . . . 61.44 109.322 173.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -128.08 99.75 5.6 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.382 1.073 . . . . 73.13 108.996 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -59.79 -14.33 14.27 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.905 1.282 . . . . 73.41 113.983 -176.888 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.485 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . 13.2 mm100 -62.53 -51.49 67.21 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.568 -0.53 . . . . 73.3 109.568 176.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.531 HD13 HG11 ' A' ' 32' ' ' VAL . 93.4 mt -55.53 -40.29 71.65 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.322 -1.308 . . . . 72.04 111.45 177.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 58' ' ' SER . 9.2 mp -66.28 -42.96 87.66 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.497 0.719 . . . . 63.43 111.327 -177.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 62' ' ' GLN . 58.5 mtmt -58.16 -55.12 39.03 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 109.893 -0.41 . . . . 75.32 109.893 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.57 -35.18 78.68 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 125.025 1.453 . . . . 74.5 111.795 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.73 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 52.2 ttm -58.64 -53.76 54.7 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.805 0.842 . . . . 72.04 110.132 174.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.493 HD23 HD11 ' A' ' 71' ' ' ILE . 65.3 mt -65.0 -29.35 70.27 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.305 1.003 . . . . 74.4 111.599 -175.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 10.7 mm-40 -64.77 -34.1 77.54 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.929 0.491 . . . . 73.21 110.946 176.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.533 ' HB2' ' HE1' ' A' ' 42' ' ' MET . 68.6 mt -78.9 -35.0 44.27 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.381 0.672 . . . . 74.24 110.164 176.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.493 HD11 HD23 ' A' ' 68' ' ' LEU . 76.9 mt -66.81 -21.32 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.115 0.966 . . . . 71.31 110.592 175.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -56.37 -37.51 70.18 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.392 0.677 . . . . 75.14 111.08 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.61 -34.15 53.49 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.28 0.632 . . . . 71.22 111.21 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.484 HD22 ' HD3' ' A' ' 49' ' ' LYS . 89.6 mt -75.1 -37.63 61.45 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.603 0.761 . . . . 74.13 111.664 -173.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.61 78.43 0.2 Allowed Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.367 -0.833 . . . . 44.13 113.689 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -152.56 161.03 43.14 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.214 0.606 . . . . 73.54 110.588 170.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 103' ' ' GLU . 61.8 tttp -83.17 129.31 35.01 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.346 0.658 . . . . 73.01 110.672 -175.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.13 144.26 25.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 124.502 1.121 . . . . 73.35 109.179 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.428 ' HB2' HG12 ' A' ' 5' ' ' ILE . 77.5 m-85 -115.98 109.51 17.65 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.33 1.052 . . . . 74.21 109.209 -177.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.7 tp -109.28 123.31 49.06 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.984 -0.448 . . . . 75.04 110.468 -175.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.0 tp -103.82 128.24 51.26 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 123.287 0.635 . . . . 73.1 109.468 170.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.521 ' HB3' HD21 ' A' ' 90' ' ' LEU . 73.0 mt -115.42 124.3 50.82 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 107.853 -1.166 . . . . 74.01 107.853 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.11 116.42 11.9 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 111.894 0.331 . . . . 70.43 111.894 -172.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -177.72 155.7 1.05 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.143 1.377 . . . . 75.01 109.377 173.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -59.26 -37.34 77.34 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.102 0.961 . . . . 64.51 111.393 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -77.12 88.31 3.6 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.905 -1.146 . . . . 74.14 107.905 170.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.65 -13.52 61.01 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.896 -1.047 . . . . 62.13 110.962 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -58.22 -59.8 4.76 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.133 0.973 . . . . 74.31 111.508 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.07 -43.25 86.89 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.737 0.648 . . . . 71.32 110.449 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 82' ' ' LEU . 51.4 mt -62.92 -46.8 86.1 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 124.601 1.188 . . . . 72.5 111.253 -176.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 40.8 tt0 -70.97 -44.51 65.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.048 0.539 . . . . 54.44 110.711 -174.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.54 -37.62 88.19 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.631 0.372 . . . . 60.35 110.659 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -63.16 -48.95 76.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.724 0.81 . . . . 72.31 110.828 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -68.04 -26.56 65.93 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.999 -0.546 . . . . 65.04 111.612 -170.691 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 91.3 mtt-85 -57.46 -39.79 77.1 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.424 0.69 . . . . 74.12 111.366 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.91 -41.53 67.78 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.273 0.629 . . . . 74.11 110.277 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.53 ' HB ' HG13 ' A' ' 104' ' ' VAL . 25.9 mm -69.3 -38.93 78.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 C-N-CA 123.79 0.836 . . . . 73.22 110.264 -174.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -74.03 -32.97 63.58 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.855 1.262 . . . . 73.44 110.859 -175.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.1 t -66.91 -25.45 66.38 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.504 -0.771 . . . . 55.53 110.986 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -86.55 -4.25 59.14 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.039 0.936 . . . . 74.22 111.916 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.91 -6.52 54.37 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-O 119.955 -0.359 . . . . 75.11 113.701 177.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.46 ' HB2' HG21 ' A' ' 97' ' ' ILE . 48.8 m-85 -74.18 130.47 39.83 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.531 -0.544 . . . . 75.02 109.531 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.425 ' HB2' ' NZ ' ' A' ' 77' ' ' LYS . 8.5 tp10 -77.88 101.98 7.06 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.136 0.574 . . . . 75.43 109.548 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.53 HG13 ' HB ' ' A' ' 97' ' ' ILE . 4.2 p -127.7 127.49 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 121.236 0.541 . . . . 73.14 111.077 -175.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -117.0 157.49 25.7 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.018 -0.992 . . . . 73.34 109.228 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.95 146.02 51.84 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.62 0.768 . . . . 75.03 109.056 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.5 m -145.95 172.05 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.258 1.023 . . . . 75.02 110.771 -174.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.6 p -118.94 -21.07 7.89 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.951 0.9 . . . . 74.01 112.209 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -121.33 159.51 25.93 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 122.662 0.385 . . . . 73.23 111.266 -170.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.02 -59.16 3.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.097 1.359 . . . . 71.24 111.827 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -22.03 61.37 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.5 0.32 . . . . 73.44 111.202 -174.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.37 -45.1 70.14 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.877 0.871 . . . . 74.31 109.868 170.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.1 -40.2 88.79 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.402 0.681 . . . . 74.32 111.234 178.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.89 -38.17 81.49 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.308 1.005 . . . . 75.22 111.685 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -60.71 -40.49 92.48 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.445 0.698 . . . . 63.4 110.466 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 32.4 mm -77.76 -29.17 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 CA-C-N 115.205 -0.907 . . . . 75.11 111.013 -175.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.469 HG22 HG12 ' A' ' 18' ' ' ILE . 86.5 t -59.44 -44.96 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 108.922 -0.77 . . . . 72.14 108.922 170.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.51 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 38.3 mtp180 -58.92 -45.74 89.63 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 124.465 1.103 . . . . 74.13 109.908 177.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.43 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 59.7 mm-40 -54.11 -53.75 48.97 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 123.92 0.762 . . . . 51.41 110.641 177.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -59.94 -36.66 77.54 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.318 0.647 . . . . 60.33 112.133 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 76.2 mtp -68.93 -34.58 75.61 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.49 0.716 . . . . 64.53 111.719 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 11.4 mm100 -75.25 -46.74 31.81 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.873 0.469 . . . . 74.12 110.316 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 14.3 mptt -66.91 -31.46 72.06 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.568 -0.742 . . . . 70.53 110.943 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.21 56.49 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.383 0.673 . . . . 75.43 110.808 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.85 -35.45 82.61 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.224 -0.351 . . . . 53.13 112.224 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.492 ' HB3' ' HD2' ' A' ' 132' ' ' HIS . 75.5 m -64.97 -24.36 67.49 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.4 1.08 . . . . 73.22 112.681 177.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.79 -25.16 67.12 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.903 0.481 . . . . 75.53 111.271 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -82.31 -75.35 0.31 Allowed 'General case' 0 C--N 1.351 0.66 0 N-CA-C 109.251 -0.648 . . . . 74.51 109.251 172.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -122.14 149.18 43.96 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.091 -1.078 . . . . 74.4 108.091 -176.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.5 m80 63.77 52.33 2.2 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 107.239 -1.393 . . . . 70.2 107.239 -160.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -75.46 82.11 2.52 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.571 -1.65 . . . . 75.34 109.193 -174.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.492 ' HD2' ' HB3' ' A' ' 126' ' ' SER . 47.5 m-70 -52.22 -41.9 63.11 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.368 1.067 . . . . 70.12 111.907 -175.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -72.18 79.29 0.97 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.829 0.852 . . . . 73.12 111.217 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 . . . . . 0 CA--C 1.553 1.059 0 N-CA-C 108.739 -0.838 . . . . 72.01 108.739 -179.886 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.84 -0.429 . . . . 63.34 109.84 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -145.66 145.23 30.84 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.938 -1.134 . . . . 75.54 107.938 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.489 HG22 ' HB3' ' A' ' 124' ' ' ALA . 66.1 mt -119.26 108.58 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.815 -0.809 . . . . 72.01 108.815 177.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.602 HD13 HD22 ' A' ' 45' ' ' LEU . 10.3 mp -99.95 141.15 33.16 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.12 0.568 . . . . 71.45 109.82 174.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.42 ' HB ' HD11 ' A' ' 55' ' ' LEU . 56.3 mt -121.63 111.38 30.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 N-CA-C 106.177 -1.786 . . . . 64.55 106.177 162.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.481 HD22 ' HB ' ' A' ' 56' ' ' ILE . 83.4 mt -88.48 130.58 35.18 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 108.667 -0.864 . . . . 73.53 108.667 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.0 mm -119.26 115.11 46.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.386 -0.968 . . . . 74.11 108.386 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -124.91 102.59 7.61 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.428 -1.323 . . . . 75.04 107.428 172.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 10.2 t -129.8 144.97 51.56 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.679 -0.691 . . . . 74.14 109.829 176.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -65.16 -49.14 71.02 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 124.171 0.92 . . . . 74.35 110.424 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -80.83 101.19 9.23 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 109.38 -0.6 . . . . 74.43 109.38 176.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.98 -17.88 58.57 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.667 1.187 . . . . 73.24 111.697 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.38 -41.66 89.87 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.702 1.201 . . . . 75.31 111.11 173.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.27 -35.16 74.87 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.865 0.866 . . . . 74.11 111.606 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.553 HG23 ' HG3' ' A' ' 57' ' ' LYS . 76.0 mt -60.25 -40.99 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.494 0.718 . . . . 74.2 111.144 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -54.79 -39.73 68.73 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.334 0.588 . . . . 71.34 111.248 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 53.2 mtpt -73.55 -46.12 49.35 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 114.589 -1.187 . . . . 74.33 110.335 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.23 -36.26 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.207 1.003 . . . . 65.2 110.978 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 15' ' ' ILE . 59.2 mtpt -60.7 -55.91 27.61 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 115.705 -0.679 . . . . 72.1 109.589 176.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -67.4 -21.16 65.6 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.653 -0.703 . . . . 73.22 112.328 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 16.2 mm-40 -65.48 -54.38 29.11 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.854 0.462 . . . . 71.12 110.633 168.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.565 HG13 HD13 ' A' ' 55' ' ' LEU . 28.5 m -76.67 -30.32 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 113.048 0.759 . . . . 73.44 113.048 -170.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.4 -21.34 66.66 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.349 0.66 . . . . 73.15 112.53 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -61.51 -36.34 80.25 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.854 0.462 . . . . 74.23 111.732 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -99.51 19.63 15.34 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.654 0.781 . . . . 72.54 111.904 -176.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.91 37.9 60.49 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.862 -0.608 . . . . 64.01 114.189 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.68 124.28 33.4 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 109.409 -0.589 . . . . 74.53 109.409 170.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -80.07 115.94 19.91 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.758 -0.83 . . . . 75.24 108.758 170.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.492 HG12 ' HG2' ' A' ' 19' ' ' LYS . 23.3 t -87.93 127.45 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 109.83 -0.433 . . . . 70.51 109.83 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.01 109.75 19.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.26 1.024 . . . . 72.2 108.492 -177.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -83.01 110.17 17.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.76 -0.83 . . . . 73.44 108.76 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.424 HG13 HD13 ' A' ' 63' ' ' LEU . 87.6 t -109.58 123.53 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.27 -1.011 . . . . 74.24 108.27 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.405 ' HA ' ' OD1' ' A' ' 59' ' ' ASN . 32.5 m-80 -108.75 -39.8 5.25 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.584 0.754 . . . . 73.32 110.989 -177.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -134.44 171.13 14.73 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.097 0.959 . . . . 74.32 109.523 -168.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.6 t -68.56 -23.52 64.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.275 0.63 . . . . 74.22 111.073 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.408 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 18.4 t70 -66.56 -50.95 61.44 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.618 0.767 . . . . 75.45 109.351 170.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 15.7 mm-40 -57.19 -35.54 69.73 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.158 0.911 . . . . 62.13 110.728 175.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 66' ' ' GLU . 51.2 tp -64.45 -57.9 7.96 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.442 -0.799 . . . . 73.0 111.37 -178.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -63.8 -33.46 75.73 Favored 'General case' 0 C--N 1.362 1.148 0 O-C-N 123.68 0.613 . . . . 75.4 110.962 -176.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -52.16 -51.6 57.0 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.779 0.831 . . . . 73.5 110.559 170.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 20.5 mm-40 -79.19 -17.2 55.33 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.289 -0.414 . . . . 73.34 111.727 -179.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.425 ' SD ' HD13 ' A' ' 45' ' ' LEU . 94.2 mmm -71.49 -19.82 62.15 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 117.848 0.295 . . . . 75.04 111.012 172.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.86 -43.2 90.77 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 109.658 -0.497 . . . . 72.55 109.658 163.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 31.7 mmmt -70.45 -41.0 73.4 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.677 0.791 . . . . 70.32 112.257 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.602 HD22 HD13 ' A' ' 4' ' ' LEU . 66.2 mt -82.37 -41.17 20.33 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.976 0.51 . . . . 74.24 111.225 -173.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.49 -41.14 10.99 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.85 0.685 . . . . 43.21 112.85 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -93.69 -3.45 52.33 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 112.304 0.483 . . . . 75.42 112.304 -176.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 86.3 mt-10 -121.86 108.31 13.3 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.971 -0.751 . . . . 75.24 108.971 171.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.38 -0.6 43.37 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.059 0.944 . . . . 72.43 110.346 178.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.94 140.68 56.54 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.539 0.524 . . . . 74.31 110.635 175.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.601 ' HZ ' ' HG2' ' A' ' 128' ' ' GLU . 79.8 t80 -62.31 125.05 22.55 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.705 0.628 . . . . 73.31 111.771 -173.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -162.87 144.41 10.06 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 123.435 0.694 . . . . 70.13 109.923 177.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -99.5 105.03 16.89 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.595 -0.891 . . . . 70.42 108.595 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.3 mt -110.55 124.49 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.152 0.581 . . . . 65.12 109.911 -177.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.565 HD13 HG13 ' A' ' 22' ' ' VAL . 13.5 tp -84.73 105.35 15.45 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.651 -1.24 . . . . 73.35 107.651 169.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.546 HD11 HD23 ' A' ' 45' ' ' LEU . 16.4 mm -90.76 117.55 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 108.772 -0.825 . . . . 74.23 108.772 177.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.553 ' HG3' HG23 ' A' ' 15' ' ' ILE . 11.6 tmtt? -91.9 142.57 27.42 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.41 -0.959 . . . . 74.52 108.41 171.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.2 t -154.41 129.98 9.92 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 123.858 0.723 . . . . 75.21 109.488 168.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.405 ' OD1' ' HA ' ' A' ' 33' ' ' ASN . 2.8 p-10 -88.31 1.03 55.46 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.577 0.751 . . . . 72.54 111.052 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -127.59 128.99 46.5 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.195 0.598 . . . . 63.02 110.273 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -69.85 -22.71 63.25 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.524 1.13 . . . . 74.12 112.983 -176.547 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.45 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 28.8 mt-30 -70.96 -31.21 67.71 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.576 0.351 . . . . 75.34 110.693 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.424 HD13 HG13 ' A' ' 32' ' ' VAL . 44.2 mt -66.49 -34.95 79.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.532 -0.758 . . . . 71.15 110.475 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.51 -39.39 94.32 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.528 -0.76 . . . . 75.41 110.161 175.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 12.4 mmmm -66.83 -56.92 8.24 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 123.335 0.397 . . . . 73.24 111.773 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB2' HD21 ' A' ' 38' ' ' LEU . 35.5 mt-10 -53.81 -39.84 65.84 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 123.925 0.766 . . . . 74.53 110.5 -178.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.426 ' HB2' HD13 ' A' ' 38' ' ' LEU . 27.4 ttm -62.58 -57.33 11.48 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.828 -1.078 . . . . 74.34 110.548 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.499 HD21 HD11 ' A' ' 71' ' ' ILE . 64.8 mt -65.1 -28.66 69.6 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.035 0.934 . . . . 75.34 112.814 -173.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 43.1 mm-40 -66.52 -40.44 89.15 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.15 0.5 . . . . 71.31 109.943 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.0 mt -76.78 -28.58 55.7 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.537 -0.756 . . . . 71.13 110.86 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.499 HD11 HD21 ' A' ' 68' ' ' LEU . 80.2 mt -69.0 -32.63 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.368 0.667 . . . . 72.52 110.234 175.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -60.06 -31.5 70.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.968 0.507 . . . . 73.5 110.475 175.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.78 -40.74 61.0 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.685 0.794 . . . . 74.32 111.019 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 78.7 mt -68.66 -41.09 79.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.884 0.874 . . . . 75.34 112.222 -175.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.12 74.07 0.96 Allowed Glycine 0 C--N 1.343 0.938 0 CA-C-N 115.851 -0.613 . . . . 73.03 113.857 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.406 ' CE1' HD11 ' A' ' 4' ' ' LEU . 35.3 p90 -149.99 168.41 23.91 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.48 0.712 . . . . 73.44 110.367 168.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.429 ' HD2' HD11 ' A' ' 127' ' ' LEU . 2.9 tmtp? -87.09 131.17 34.22 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.494 0.717 . . . . 74.54 109.737 -174.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.425 HG22 HG23 ' A' ' 71' ' ' ILE . 81.5 t -126.96 140.81 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.94 0.896 . . . . 74.24 110.161 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -102.64 152.07 21.62 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.774 1.229 . . . . 74.24 108.282 170.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.5 tp -140.41 136.64 33.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.146 0.579 . . . . 75.23 109.776 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.528 HD12 HG22 ' A' ' 116' ' ' ILE . 37.8 tp -128.66 117.96 22.08 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.291 1.036 . . . . 71.13 108.858 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.7 mt -101.64 134.74 44.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.737 -1.208 . . . . 60.45 107.737 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -146.49 111.73 5.45 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.048 0.385 . . . . 70.03 110.604 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.417 ' HB3' HD13 ' A' ' 90' ' ' LEU . 13.8 t0 -162.53 150.58 14.22 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.124 -0.695 . . . . 65.35 109.124 175.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -55.92 -43.63 77.55 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.768 1.227 . . . . 74.41 110.366 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.71 107.17 15.14 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.558 -1.275 . . . . 71.54 107.558 170.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.06 -14.07 34.58 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.478 -0.783 . . . . 72.31 111.889 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.16 -52.25 66.14 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.999 0.919 . . . . 64.15 112.392 -168.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.67 -44.81 92.68 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.349 0.405 . . . . 62.1 110.417 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.417 HD13 ' HB3' ' A' ' 84' ' ' ASP . 80.4 mt -63.32 -28.82 70.27 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.07 -0.968 . . . . 72.35 111.282 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.14 -46.23 78.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.127 0.971 . . . . 73.03 110.498 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -69.25 -39.84 78.22 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.507 -0.769 . . . . 74.23 109.646 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.432 ' O ' HG12 ' A' ' 97' ' ' ILE . 34.1 t80 -59.34 -47.7 84.41 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 114.311 -1.313 . . . . 74.52 111.163 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -26.98 65.65 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.271 -0.422 . . . . 75.12 112.074 -177.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -66.97 -36.9 83.24 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.912 0.485 . . . . 75.52 110.211 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -64.8 -53.34 48.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.664 0.786 . . . . 74.11 110.305 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.458 HG21 ' HB2' ' A' ' 102' ' ' TYR . 32.5 mm -68.64 -35.53 70.44 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 CA-C-N 114.935 -1.029 . . . . 71.25 111.093 -171.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.17 -45.37 94.91 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.579 -0.737 . . . . 70.34 109.697 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -67.16 -27.38 67.24 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.533 -0.758 . . . . 75.02 111.031 -176.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -78.43 -6.25 54.74 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.528 0.731 . . . . 74.45 112.449 177.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.48 17.38 39.45 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 113.784 0.274 . . . . 54.25 113.784 173.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.458 ' HB2' HG21 ' A' ' 97' ' ' ILE . 68.7 m-85 -99.55 151.79 20.76 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.007 0.523 . . . . 73.45 109.853 174.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -79.8 128.17 33.11 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 108.487 -0.931 . . . . 65.01 108.487 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.9 p -141.14 134.92 31.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.317 0.579 . . . . 74.15 110.439 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -122.64 135.82 54.71 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.504 1.122 . . . . 75.54 108.112 172.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -117.4 115.33 24.99 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.63 -0.878 . . . . 72.21 108.63 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.2 m -123.58 -178.78 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 124.65 1.18 . . . . 70.54 110.06 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.2 p -128.64 -51.96 1.25 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.273 0.629 . . . . 62.11 110.06 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.94 154.07 40.7 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 112.872 0.693 . . . . 75.32 112.872 -171.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.8 -54.16 46.05 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.764 1.225 . . . . 72.01 110.437 176.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.14 -36.73 68.6 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.365 1.066 . . . . 74.44 111.39 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.51 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.0 tt0 -79.42 -33.95 42.15 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 114.258 -1.337 . . . . 75.12 110.346 -172.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.409 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -66.88 -49.07 66.82 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.707 0.403 . . . . 74.24 111.037 174.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.06 -36.54 79.88 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.665 0.786 . . . . 73.22 112.184 -176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -72.96 -26.45 61.37 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 110.42 -0.215 . . . . 73.32 110.42 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.528 HG22 HD12 ' A' ' 81' ' ' LEU . 49.3 mm -73.42 -41.45 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.549 0.339 . . . . 71.31 110.172 173.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 113' ' ' ALA . 74.5 t -56.74 -53.77 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.629 0.771 . . . . 72.55 110.975 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -62.45 -32.5 73.38 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.489 -0.778 . . . . 73.25 110.974 -176.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -74.77 -39.17 61.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.309 0.644 . . . . 74.54 111.577 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -59.33 -33.24 70.88 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.307 0.643 . . . . 75.43 111.057 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 71.3 mtp -68.02 -30.29 69.49 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.104 0.962 . . . . 73.42 111.384 176.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.34 -46.58 54.91 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.378 0.671 . . . . 73.02 110.448 176.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -69.31 -29.83 67.76 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.284 -0.416 . . . . 75.42 110.707 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.489 ' HB3' HG22 ' A' ' 3' ' ' ILE . . . -70.59 -35.51 73.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 122.998 0.519 . . . . 64.11 110.324 173.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.73 -34.56 90.22 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.655 -0.702 . . . . 42.25 112.477 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.1 m -64.87 -32.79 74.66 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.395 0.678 . . . . 64.45 110.518 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 130' ' ' HIS . 97.6 mt -76.02 -21.9 56.36 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.258 0.623 . . . . 74.11 111.444 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.601 ' HG2' ' HZ ' ' A' ' 51' ' ' PHE . 28.1 mt-10 -70.06 -54.21 14.11 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.618 0.367 . . . . 72.11 110.352 176.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -90.16 19.46 5.01 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.905 -0.589 . . . . 73.43 111.503 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.511 ' HB2' ' HA ' ' A' ' 127' ' ' LEU . 4.9 t-80 -68.68 100.98 1.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.953 0.901 . . . . 72.15 108.615 174.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -82.04 63.58 6.33 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.254 1.022 . . . . 63.42 111.964 -166.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 39.8 m80 53.14 19.56 1.5 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.893 1.277 . . . . 75.51 112.781 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -121.94 116.34 24.19 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 107.904 -1.147 . . . . 74.04 107.904 -172.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 79.3 t60 . . . . . 0 CA--C 1.553 1.075 0 O-C-N 123.832 0.707 . . . . 72.4 110.891 -178.881 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 tpt . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 108.793 -0.818 . . . . 73.31 108.793 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -157.77 175.94 13.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.253 0.621 . . . . 75.3 110.287 176.413 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.464 HD11 ' HG2' ' A' ' 53' ' ' LYS . 74.2 mt -110.08 124.78 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.967 0.907 . . . . 75.24 109.343 -178.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -112.75 137.44 51.06 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.239 0.616 . . . . 75.34 109.674 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.478 ' HB ' HD12 ' A' ' 55' ' ' LEU . 30.6 mt -115.44 103.59 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 107.062 -1.459 . . . . 71.4 107.062 162.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.435 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -85.84 129.59 34.79 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.529 1.132 . . . . 72.35 108.993 -178.16 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.6 mm -123.63 120.42 59.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 C-N-CA 124.136 0.975 . . . . 74.32 109.099 -178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.482 ' HB2' HD22 ' A' ' 64' ' ' LEU . 24.9 t-20 -122.89 103.35 8.56 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.433 -1.321 . . . . 73.33 107.433 171.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.486 ' HB ' HG12 ' A' ' 15' ' ' ILE . 89.4 m -127.93 128.8 45.75 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.517 -1.22 . . . . 72.23 108.368 178.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -71.75 -28.76 63.86 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 123.441 0.463 . . . . 74.32 110.37 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -98.02 96.23 8.01 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.04 -1.096 . . . . 70.24 108.04 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -60.78 -26.41 67.25 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.285 1.034 . . . . 74.34 113.027 -170.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -57.06 -39.04 74.13 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.182 0.593 . . . . 74.51 111.559 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -71.4 -33.26 69.32 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.715 0.806 . . . . 71.21 110.859 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.492 HG22 ' HG3' ' A' ' 57' ' ' LYS . 49.0 mt -59.45 -46.53 92.7 Favored 'Isoleucine or valine' 0 C--N 1.365 1.271 0 N-CA-C 109.639 -0.504 . . . . 75.25 109.639 174.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 51.8 mtpt -56.39 -39.16 72.54 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 123.973 0.795 . . . . 63.44 111.081 -177.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -65.41 -44.08 88.53 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.514 0.726 . . . . 72.54 111.006 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.76 -37.37 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 C-N-CA 124.153 0.981 . . . . 72.41 111.265 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.54 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 59.8 mtpt -63.06 -40.35 97.44 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.548 0.739 . . . . 72.55 110.225 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 33.5 mmtp -66.45 -46.41 76.5 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 115.755 -0.657 . . . . 74.21 110.025 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -49.36 -53.22 23.44 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.359 1.064 . . . . 71.04 111.796 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.669 HG11 HD11 ' A' ' 55' ' ' LEU . 32.8 m -71.35 -35.05 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 115.122 -0.944 . . . . 73.4 111.593 -176.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -70.98 -19.51 62.53 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.568 0.581 . . . . 75.11 112.568 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -65.15 -26.08 68.02 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 118.072 0.396 . . . . 73.43 110.626 168.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -111.02 20.82 17.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.554 0.741 . . . . 71.43 110.954 174.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.31 31.26 71.47 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 115.811 1.085 . . . . 51.1 115.811 167.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -78.1 139.94 39.05 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.739 0.769 . . . . 73.4 109.829 172.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 54' ' ' ILE . 6.5 tp-100 -81.15 118.5 22.6 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.829 0.852 . . . . 64.4 108.774 175.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -97.82 133.1 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 121.869 -0.519 . . . . 74.54 109.927 -176.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 ttm-85 -134.14 114.2 12.87 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.386 1.074 . . . . 74.24 108.565 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.53 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 1.4 m-20 -97.41 139.9 32.66 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.945 0.898 . . . . 75.03 110.593 -170.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.2 t -128.23 113.54 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 107.885 -1.154 . . . . 74.32 107.885 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -102.41 -20.91 14.37 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.295 0.638 . . . . 74.41 110.115 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -146.13 160.36 42.04 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.922 0.489 . . . . 71.14 111.751 -171.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 m -56.76 -33.44 66.59 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.513 1.525 . . . . 62.24 113.185 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.475 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 23.7 t70 -60.04 -51.1 71.09 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.874 0.87 . . . . 63.3 109.97 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 50.0 mt-10 -65.94 -33.15 75.15 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.137 -0.938 . . . . 73.22 110.539 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' ' 63' ' ' LEU . 50.5 tp -55.06 -59.15 5.15 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.079 0.552 . . . . 75.11 110.839 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -33.47 75.88 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.853 0.721 . . . . 75.23 111.407 -176.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 9.9 mtmp? -61.21 -52.68 63.76 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.295 0.372 . . . . 75.55 111.53 174.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 4.2 mm-40 -72.25 -27.88 62.78 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.809 -0.178 . . . . 75.43 110.628 -174.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.546 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 90.0 mmm -67.74 -34.78 77.51 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.655 0.382 . . . . 71.32 110.864 175.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -42.44 99.44 Favored 'General case' 0 C--O 1.209 -1.075 0 N-CA-C 109.516 -0.55 . . . . 73.2 109.516 170.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HA ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -59.77 -38.99 83.37 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.597 0.359 . . . . 74.43 111.508 178.238 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 80.2 mt -74.74 -26.86 60.08 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.557 0.743 . . . . 75.11 111.651 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.99 -38.08 15.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.762 0.825 . . . . 74.33 112.785 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -77.54 -56.97 4.08 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.791 0.836 . . . . 75.2 109.469 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -74.72 125.59 29.06 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 108.254 -1.017 . . . . 72.34 108.254 176.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -104.05 -1.02 28.04 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.556 0.742 . . . . 74.32 110.035 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -59.23 139.62 56.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.356 1.462 . . . . 74.01 112.474 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -77.32 122.3 24.93 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.758 0.823 . . . . 72.23 109.747 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 10.9 tp10 -160.35 137.53 9.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.583 0.753 . . . . 74.5 109.549 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HG2' HD11 ' A' ' 3' ' ' ILE . 34.0 mtmm -88.56 94.96 10.05 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.828 -0.804 . . . . 74.13 108.828 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 28' ' ' GLN . 45.0 mt -103.33 122.55 55.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 115.314 -0.857 . . . . 74.03 110.09 -176.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.669 HD11 HG11 ' A' ' 22' ' ' VAL . 10.4 tp -79.72 109.23 13.93 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 107.723 -1.214 . . . . 72.54 107.723 169.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.8 mm -90.0 114.38 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 108.614 -0.884 . . . . 75.54 108.614 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 31' ' ' ASP . 1.4 tmtp? -91.17 135.9 33.46 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.648 -1.241 . . . . 72.32 107.648 169.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.3 t -150.33 117.12 5.85 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.291 -1.003 . . . . 60.34 108.291 172.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -70.99 -43.5 67.87 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.854 0.862 . . . . 71.24 111.158 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -95.86 126.99 41.5 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.12 -0.491 . . . . 75.31 110.849 -171.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -59.58 -28.62 67.31 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.842 1.657 . . . . 75.11 112.9 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -57.45 -47.51 81.63 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.661 0.785 . . . . 74.12 109.832 176.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.437 ' HB3' HD11 ' A' ' 38' ' ' LEU . 49.7 mt -60.26 -36.61 78.18 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 113.813 -1.539 . . . . 73.22 110.988 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.482 HD22 ' HB2' ' A' ' 8' ' ' ASN . 7.9 mp -66.72 -46.2 76.26 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.902 0.751 . . . . 70.4 111.798 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -56.58 -53.77 53.66 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.905 0.753 . . . . 74.42 109.965 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.79 -40.27 87.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.47 1.108 . . . . 75.31 111.385 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.546 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 38.5 ttm -61.53 -52.47 64.34 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.483 1.113 . . . . 75.22 110.123 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.545 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 44.9 mt -70.64 -29.56 65.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.287 1.035 . . . . 65.34 112.069 -172.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.91 -33.71 76.67 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.267 0.627 . . . . 74.4 110.969 173.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.433 ' HB2' ' HE1' ' A' ' 42' ' ' MET . 77.9 mt -82.56 -31.75 28.91 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.515 0.726 . . . . 64.11 110.834 176.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.545 ' HB ' ' HA ' ' A' ' 68' ' ' LEU . 39.9 mt -65.47 -26.01 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.421 1.088 . . . . 74.51 110.309 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 t -61.5 -27.0 68.28 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.308 0.643 . . . . 74.43 111.795 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.487 ' HZ3' ' HB3' ' A' ' 73' ' ' LYS . 4.6 mmmp? -83.25 -37.21 23.83 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.258 0.623 . . . . 73.33 110.671 172.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.79 -33.57 75.07 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.413 0.685 . . . . 75.45 112.178 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.79 64.95 3.64 Favored Glycine 0 C--N 1.349 1.261 0 N-CA-C 114.339 0.496 . . . . 51.24 114.339 173.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.67 170.88 14.94 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.854 0.461 . . . . 72.13 110.907 175.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.455 ' HG2' HD13 ' A' ' 127' ' ' LEU . 54.0 tptt -76.45 127.05 32.09 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.656 -0.702 . . . . 73.3 110.597 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.425 HG12 HD22 ' A' ' 68' ' ' LEU . 58.0 t -122.29 133.08 69.64 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 123.848 0.859 . . . . 74.0 109.076 173.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.52 107.42 17.06 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 107.592 -1.262 . . . . 71.21 107.592 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 6' ' ' LEU . 22.8 tp -107.41 130.94 54.75 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.348 0.522 . . . . 74.52 111.062 -173.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.579 HD12 HG23 ' A' ' 116' ' ' ILE . 32.2 tp -119.29 134.31 55.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.001 0.92 . . . . 73.1 109.507 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.506 ' HB3' HD21 ' A' ' 90' ' ' LEU . 74.2 mt -119.18 94.03 4.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.299 1.04 . . . . 71.22 109.038 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.98 110.97 22.83 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.967 0.507 . . . . 73.42 111.94 -175.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.438 ' HB3' HD13 ' A' ' 90' ' ' LEU . 24.1 t70 -165.55 156.74 14.06 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.467 0.707 . . . . 74.33 110.637 173.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.446 ' HA ' HG23 ' A' ' 108' ' ' THR . 97.3 mt-30 -58.12 -41.23 83.18 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.007 1.323 . . . . 73.3 111.763 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.48 101.61 7.42 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 108.415 -0.957 . . . . 73.2 108.415 169.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -83.68 -15.98 46.75 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.031 -0.986 . . . . 75.5 111.294 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -62.76 -57.52 10.63 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.419 1.088 . . . . 75.51 112.504 -168.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.2 -39.63 86.35 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.133 0.573 . . . . 70.52 111.043 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 82' ' ' LEU . 97.1 mt -65.14 -30.79 71.75 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.562 -0.744 . . . . 75.15 111.376 178.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.99 -37.29 84.29 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.886 0.875 . . . . 74.12 110.274 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -77.29 -44.51 29.43 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.867 -1.061 . . . . 74.41 109.955 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.47 -48.41 65.91 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.717 1.207 . . . . 72.32 111.185 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -61.72 -31.41 71.56 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.859 0.724 . . . . 74.21 112.004 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.33 -35.24 79.01 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.524 0.73 . . . . 74.21 111.754 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -65.03 -53.24 49.1 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 123.991 0.807 . . . . 75.05 108.948 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.574 HG21 ' HB2' ' A' ' 102' ' ' TYR . 24.1 mm -65.11 -37.65 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 115.259 -0.882 . . . . 72.43 111.031 -172.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.44 -35.75 71.02 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.416 -0.811 . . . . 74.51 110.742 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -73.3 -26.66 61.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.3 0.64 . . . . 71.22 110.637 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -75.99 -10.41 59.4 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.641 0.776 . . . . 75.23 111.204 174.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.14 43.29 3.3 Favored Glycine 0 C--N 1.355 1.608 0 O-C-N 123.347 0.404 . . . . 73.11 113.029 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.574 ' HB2' HG21 ' A' ' 97' ' ' ILE . 84.9 m-85 -125.21 155.27 40.29 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.113 0.565 . . . . 73.44 109.86 175.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -89.37 110.74 21.51 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.375 -0.972 . . . . 74.11 108.375 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.473 HG13 ' HB ' ' A' ' 97' ' ' ILE . 2.6 p -138.04 125.39 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 123.207 0.603 . . . . 70.21 111.272 -175.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -109.81 158.56 18.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.465 1.106 . . . . 64.14 109.442 172.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.489 ' HZ1' ' HB3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -129.27 127.84 42.0 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.24 1.016 . . . . 74.34 108.404 179.01 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.9 m -132.12 178.73 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.709 0.804 . . . . 74.41 110.946 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.446 HG23 ' HA ' ' A' ' 85' ' ' GLN . 85.5 m -144.75 -30.03 0.45 Allowed 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 114.269 -1.332 . . . . 72.44 110.487 -174.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -94.74 157.38 15.97 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 124.218 1.007 . . . . 74.22 110.815 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.06 -59.47 3.01 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.195 1.398 . . . . 73.43 111.906 -174.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.04 -26.09 62.94 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.927 0.394 . . . . 71.33 110.122 -176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.51 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -66.21 -36.14 82.28 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 124.108 0.963 . . . . 74.43 110.127 174.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -66.85 -43.77 82.77 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.088 0.155 . . . . 73.41 111.354 172.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -39.18 92.54 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.774 0.829 . . . . 74.04 111.907 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -69.82 -36.66 75.82 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.378 0.271 . . . . 75.43 110.761 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.579 HG23 HD12 ' A' ' 81' ' ' LEU . 44.4 mm -62.67 -42.1 94.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 123.421 0.688 . . . . 74.24 111.04 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 99.7 t -60.26 -45.33 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 123.958 0.786 . . . . 72.35 110.437 177.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.91 -38.27 90.46 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.272 0.629 . . . . 74.52 111.233 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.56 -44.49 82.18 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.823 0.702 . . . . 74.33 110.569 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -54.98 -41.43 71.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.021 0.928 . . . . 65.13 111.309 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 75.8 mtp -65.33 -29.18 69.9 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.079 -0.964 . . . . 75.41 111.545 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -66.11 -45.82 79.79 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.642 0.377 . . . . 62.23 110.542 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -28.1 64.96 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.56 0.344 . . . . 75.04 110.554 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.52 78.92 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.347 0.659 . . . . 73.31 110.403 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.73 -24.78 76.14 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-N 115.286 -0.87 . . . . 72.03 112.424 175.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.3 t -71.36 -22.58 61.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.782 0.833 . . . . 72.43 110.776 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.455 HD13 ' HG2' ' A' ' 77' ' ' LYS . 54.9 mt -86.97 -33.22 19.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.566 0.747 . . . . 74.44 110.304 175.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -71.87 -14.48 61.96 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.113 0.965 . . . . 70.22 111.029 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -42.0 134.21 2.76 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.553 1.141 . . . . 72.32 109.859 168.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -33.12 89.69 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 O-C-N 125.471 1.732 . . . . 73.12 113.246 -165.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -107.66 117.37 33.94 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 113.394 -1.73 . . . . 72.02 108.051 -170.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -64.65 114.42 4.4 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 108.929 -0.767 . . . . 74.31 108.929 173.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -141.83 169.52 17.44 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.274 -0.639 . . . . 72.11 109.274 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 . . . . . 0 CA--C 1.556 1.189 0 CA-C-O 118.986 -0.531 . . . . 74.25 110.657 177.755 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 121.494 0.664 . . . . 63.15 109.797 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.641 ' HZ3' ' HB2' ' A' ' 52' ' ' GLU . 28.8 tptt -90.25 109.39 20.48 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 107.915 -1.142 . . . . 73.02 107.915 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.449 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 70.6 mt -94.55 105.07 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 109.333 -0.617 . . . . 75.41 109.333 -178.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mp -101.99 136.33 42.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.412 0.685 . . . . 75.25 109.425 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 59.2 mt -114.69 111.26 35.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 107.266 -1.383 . . . . 71.22 107.266 166.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' HB3' HD23 ' A' ' 64' ' ' LEU . 65.6 mt -89.98 123.78 34.18 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.298 -0.63 . . . . 74.05 109.298 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.429 HG13 HG23 ' A' ' 18' ' ' ILE . 47.9 mm -115.37 115.17 48.55 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 C-N-CA 123.544 0.738 . . . . 75.03 109.295 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -117.09 101.66 8.67 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.922 -1.14 . . . . 74.24 107.922 168.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.4 t -132.23 136.61 47.12 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.054 0.454 . . . . 70.43 110.341 168.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -71.26 -19.02 62.4 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 114.871 -1.059 . . . . 72.41 110.319 175.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -89.85 106.83 18.73 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.524 1.13 . . . . 75.33 109.906 -175.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.08 -34.71 78.66 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.385 0.674 . . . . 72.23 111.831 -178.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 41.9 mt-10 -65.35 -36.04 82.82 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.182 0.593 . . . . 74.03 110.8 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 113' ' ' ALA . 26.6 tp -71.63 -37.75 70.86 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.05 -0.523 . . . . 75.01 110.497 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.92 -48.95 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.018 0.527 . . . . 72.54 109.896 173.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 28.4 mtpp -53.36 -45.25 69.11 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.391 1.076 . . . . 75.44 111.861 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.54 ' HE2' HD12 ' A' ' 114' ' ' LEU . 58.0 mtpt -70.42 -36.59 74.09 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.893 -0.594 . . . . 70.03 111.684 -176.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.429 HG23 HG13 ' A' ' 7' ' ' ILE . 88.7 mt -69.55 -31.52 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 123.114 0.566 . . . . 73.42 110.584 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 2.1 mptm? -58.96 -52.96 63.52 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.433 -0.58 . . . . 75.32 109.433 169.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -56.72 -36.72 70.03 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.908 0.755 . . . . 74.05 111.607 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.66 -51.83 67.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.161 0.585 . . . . 72.52 111.58 173.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.57 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 9.2 m -75.36 -20.16 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 112.403 0.52 . . . . 71.42 112.403 -175.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 20.0 mm-40 -67.74 -42.69 81.45 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.125 0.57 . . . . 75.51 109.995 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -61.29 -27.59 68.58 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 114.776 -1.102 . . . . 74.45 111.457 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -96.56 -14.49 22.21 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.867 0.867 . . . . 64.43 112.185 -176.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.97 29.65 33.85 Favored Glycine 0 C--N 1.346 1.103 0 N-CA-C 114.2 0.44 . . . . 65.32 114.2 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.57 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 1.9 m-85 -81.36 150.72 28.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.172 0.589 . . . . 74.43 109.821 171.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.75 157.91 25.67 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.231 -1.026 . . . . 64.35 108.231 170.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.4 t -130.97 111.1 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 122.91 0.484 . . . . 64.13 109.789 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.498 ' HG2' ' HG3' ' A' ' 41' ' ' GLU . 14.5 tpt180 -104.7 120.8 42.19 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.286 -0.635 . . . . 73.34 109.286 169.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.99 120.61 31.34 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.794 0.838 . . . . 74.42 109.149 171.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.466 HG12 ' HB2' ' A' ' 37' ' ' GLU . 98.4 t -109.82 130.35 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.414 1.085 . . . . 71.42 108.593 177.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -109.46 -52.37 2.78 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.753 0.821 . . . . 74.13 108.787 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -111.08 160.35 16.96 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 114.789 -1.096 . . . . 72.34 111.334 -171.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.7 m -58.99 -26.83 64.84 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.216 1.406 . . . . 73.32 112.453 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.431 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 4.5 t70 -56.76 -56.3 23.2 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.8 0.84 . . . . 73.0 110.874 172.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 34.0 mt-10 -60.2 -36.59 78.01 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.794 -0.639 . . . . 75.44 110.897 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.8 tp -55.32 -61.49 2.3 Favored 'General case' 0 C--O 1.246 0.911 0 O-C-N 124.172 0.92 . . . . 75.11 111.181 176.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.85 -32.02 73.52 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 123.485 0.491 . . . . 73.45 112.009 -174.425 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 8.9 mtmp? -57.59 -50.65 72.42 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.478 0.311 . . . . 74.11 110.76 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG3' ' HG2' ' A' ' 30' ' ' ARG . 14.3 mm-40 -66.62 -37.42 84.83 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.112 0.882 . . . . 73.31 110.251 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 mmt -61.17 -40.74 95.02 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.142 0.577 . . . . 75.43 111.916 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 5.5 mptp? -62.41 -46.28 89.32 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 109.548 -0.538 . . . . 74.32 109.548 173.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' HA ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -61.75 -35.73 78.94 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.15 0.58 . . . . 74.24 111.876 -178.291 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 89.8 mt -73.84 -33.92 64.31 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.474 0.31 . . . . 74.34 110.297 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.54 -42.45 67.88 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.861 0.464 . . . . 73.14 111.948 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -80.58 -52.36 7.68 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.811 0.844 . . . . 73.1 111.756 -172.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -75.91 170.2 16.69 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.334 0.654 . . . . 72.31 111.427 -174.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -64.39 115.08 4.75 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.276 1.03 . . . . 73.44 110.008 -171.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -82.01 27.38 0.47 Allowed 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 124.206 1.002 . . . . 74.02 113.101 -162.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -115.22 112.27 22.23 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.487 -0.758 . . . . 74.32 109.662 160.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.641 ' HB2' ' HZ3' ' A' ' 2' ' ' LYS . 7.7 mm-40 -172.46 153.77 2.99 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.197 1.399 . . . . 74.44 109.302 166.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 37.1 mtmm -103.77 110.13 22.11 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.3 -0.864 . . . . 74.5 109.132 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 55.7 mt -127.96 126.75 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.681 0.792 . . . . 75.1 110.1 -174.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.517 HD11 HG11 ' A' ' 22' ' ' VAL . 19.8 tp -79.15 124.81 28.68 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.097 0.959 . . . . 74.1 108.796 166.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.4 mm -109.57 115.16 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 108.483 -0.932 . . . . 70.24 108.483 170.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -90.76 140.8 29.44 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.053 -1.091 . . . . 74.41 108.053 171.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.597 ' HB3' HD13 ' A' ' 64' ' ' LEU . 29.6 t -164.58 117.93 1.33 Allowed 'General case' 0 C--O 1.241 0.612 0 N-CA-C 108.235 -1.024 . . . . 75.04 108.235 168.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -76.18 -11.69 59.97 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.643 0.777 . . . . 64.13 111.781 -177.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -97.15 114.7 26.42 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 108.774 -0.824 . . . . 71.02 108.774 170.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.538 ' HA ' HD11 ' A' ' 64' ' ' LEU . 4.3 pttp -76.94 -20.81 55.71 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.531 0.732 . . . . 74.11 112.826 -173.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -63.6 -40.24 96.42 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.316 0.507 . . . . 74.05 109.633 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.5 mt -55.75 -34.29 65.07 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 124.153 0.908 . . . . 75.34 111.897 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.597 HD13 ' HB3' ' A' ' 58' ' ' SER . 7.3 mp -74.81 -42.09 58.71 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.189 0.596 . . . . 73.31 111.314 -177.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -67.72 -43.51 79.85 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 122.558 0.343 . . . . 75.2 110.103 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.12 -37.75 83.91 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 114.947 -1.024 . . . . 72.23 110.56 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.425 ' SD ' HD22 ' A' ' 6' ' ' LEU . 33.3 ttm -62.21 -44.9 95.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.86 0.864 . . . . 72.52 110.011 177.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.99 -28.33 69.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.962 0.905 . . . . 74.3 111.725 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.45 -24.39 60.22 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.476 0.71 . . . . 73.35 111.091 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.8 mt -84.91 -35.02 22.4 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.255 0.622 . . . . 71.15 110.256 172.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.526 HD12 HG22 ' A' ' 78' ' ' VAL . 84.5 mt -71.14 -29.21 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 124.913 1.285 . . . . 75.3 111.392 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.9 p -59.69 -30.48 68.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.055 0.542 . . . . 72.53 111.101 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -82.01 -32.09 30.7 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.527 0.731 . . . . 73.13 110.798 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.8 mt -75.27 -47.6 27.25 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.51 0.724 . . . . 73.42 111.12 -177.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.79 71.77 1.23 Allowed Glycine 0 C--N 1.342 0.886 0 CA-C-N 115.907 -0.588 . . . . 61.13 113.606 173.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -152.95 166.99 30.65 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.45 0.537 . . . . 73.05 112.45 172.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' ' 77' ' ' LYS . 11.3 mmpt? -82.29 130.12 35.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.586 1.154 . . . . 75.23 111.066 -175.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.526 HG22 HD12 ' A' ' 71' ' ' ILE . 48.6 t -131.34 134.49 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.823 0.849 . . . . 73.22 109.698 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -114.66 109.43 18.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.32 1.048 . . . . 74.1 108.867 -175.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.7 tp -99.15 139.67 34.46 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.625 0.77 . . . . 74.41 111.287 -174.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.514 HD11 HG22 ' A' ' 116' ' ' ILE . 45.3 tp -132.61 126.19 32.16 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.697 1.199 . . . . 75.34 108.994 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.565 ' HB3' HD21 ' A' ' 90' ' ' LEU . 91.9 mt -114.97 130.33 56.91 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.958 1.303 . . . . 72.04 108.702 -178.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.526 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -148.19 111.74 5.01 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.615 0.643 . . . . 75.24 111.475 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.491 ' HB3' HD11 ' A' ' 90' ' ' LEU . 11.6 t0 -164.56 153.93 13.45 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.012 0.925 . . . . 62.32 108.924 -178.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -59.69 -36.92 77.47 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.197 0.999 . . . . 73.12 110.878 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -82.5 81.66 8.23 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.956 0.884 . . . . 74.03 108.776 175.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.61 -14.18 59.71 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.569 -1.196 . . . . 75.51 111.622 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -65.21 -55.62 17.48 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.286 1.035 . . . . 61.21 111.214 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -70.62 -31.51 68.5 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.202 -0.454 . . . . 74.55 110.121 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.565 HD21 ' HB3' ' A' ' 82' ' ' LEU . 59.1 mt -60.03 -42.19 93.88 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.374 0.421 . . . . 73.34 111.143 171.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -66.63 -43.12 85.57 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.09 0.556 . . . . 71.11 110.187 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.514 ' HA ' ' HD3' ' A' ' 95' ' ' ARG . 0.4 OUTLIER -68.34 -35.87 78.41 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.857 -0.61 . . . . 74.32 110.134 179.762 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -68.52 -46.71 68.86 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.309 -0.86 . . . . 74.14 111.302 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.454 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.63 -26.04 67.64 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.742 0.417 . . . . 74.53 111.789 -177.05 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.514 ' HD3' ' HA ' ' A' ' 92' ' ' GLU . 41.7 mtp85 -60.5 -39.24 87.03 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.718 0.807 . . . . 74.21 111.33 173.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.56 -27.78 60.65 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.49 0.716 . . . . 62.11 110.905 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.6 mm -74.52 -34.73 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-O 121.311 0.576 . . . . 75.53 109.692 176.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.91 -35.42 81.1 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.982 -1.008 . . . . 64.42 110.253 171.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -70.76 -31.56 68.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.462 0.705 . . . . 64.15 110.767 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -76.32 -19.71 57.97 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.38 0.672 . . . . 73.52 110.479 172.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.86 40.66 16.68 Favored Glycine 0 C--N 1.348 1.237 0 CA-C-N 116.103 -0.499 . . . . 64.42 113.557 173.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.72 157.09 18.86 Favored 'General case' 0 C--O 1.246 0.882 0 C-N-CA 123.429 0.692 . . . . 75.43 109.594 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.51 123.33 19.36 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 108.599 -0.889 . . . . 75.54 108.599 171.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.43 137.08 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.348 0.659 . . . . 75.52 110.318 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -131.34 130.64 42.94 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.524 0.73 . . . . 73.3 110.146 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.504 ' HZ1' ' HB3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -102.41 117.82 35.55 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.119 -1.437 . . . . 75.34 107.119 173.16 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.58 158.32 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.127 0.971 . . . . 63.43 109.671 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.8 p -134.33 0.78 3.11 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.297 0.639 . . . . 63.14 111.436 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -117.35 147.02 43.0 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 108.898 -0.778 . . . . 62.11 108.898 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.05 -39.64 79.02 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.396 0.435 . . . . 73.51 110.663 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.41 -37.5 87.54 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.134 0.574 . . . . 73.44 110.541 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.531 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -72.33 -32.27 66.37 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.098 -0.955 . . . . 73.31 109.775 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.412 ' HB3' HD11 ' A' ' 14' ' ' LEU . . . -67.88 -44.16 77.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.58 0.352 . . . . 73.15 111.33 173.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.54 HD12 ' HE2' ' A' ' 17' ' ' LYS . 95.1 mt -60.24 -45.21 94.04 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.684 0.615 . . . . 75.21 111.754 -178.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -63.29 -35.71 81.28 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 123.442 0.464 . . . . 72.52 110.38 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 112' ' ' GLU . 47.8 mm -66.94 -40.02 84.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 123.297 0.639 . . . . 74.31 110.859 177.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 121' ' ' MET . 93.2 t -62.72 -39.62 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.034 0.534 . . . . 73.43 110.262 176.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 21.1 mtp180 -64.46 -39.96 94.8 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.791 0.837 . . . . 72.32 111.0 178.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.495 ' HB3' ' HZ1' ' A' ' 123' ' ' LYS . 41.6 mt-10 -71.42 -35.4 70.97 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.407 -0.815 . . . . 75.1 111.032 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -61.42 -28.61 69.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.908 0.883 . . . . 75.43 111.088 175.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 25.3 mmt -71.25 -33.17 69.57 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.137 0.575 . . . . 74.43 110.939 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.57 -42.71 58.26 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 109.327 -0.62 . . . . 75.02 109.327 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.495 ' HZ1' ' HB3' ' A' ' 119' ' ' GLU . 57.4 mttp -64.85 -40.19 94.76 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.45 -1.25 . . . . 70.22 110.673 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.442 ' HB2' HG22 ' A' ' 3' ' ' ILE . . . -69.22 -37.65 78.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.703 0.801 . . . . 73.44 110.452 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -68.0 -25.68 74.26 Favored Glycine 0 C--N 1.351 1.413 0 CA-C-N 115.427 -0.806 . . . . 44.32 112.955 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.443 ' HA ' ' HB2' ' A' ' 130' ' ' HIS . 50.5 m -65.02 -32.93 74.89 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.566 0.747 . . . . 63.13 111.017 176.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 37.8 mt -74.76 -38.68 62.13 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.265 1.026 . . . . 74.43 111.896 -173.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.19 -75.29 0.12 Allowed 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.403 -0.817 . . . . 74.45 112.268 -170.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -154.96 32.82 0.39 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 121.12 0.486 . . . . 64.14 109.847 -168.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 126' ' ' SER . 22.6 t-80 -62.21 -25.58 67.88 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.74 0.816 . . . . 75.52 111.719 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -71.48 79.05 0.78 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.027 0.531 . . . . 62.41 109.687 170.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -81.46 87.45 6.2 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 121.71 0.767 . . . . 75.52 109.921 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -153.55 -11.2 0.15 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.95 0.9 . . . . 74.33 110.548 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 24.1 t60 . . . . . 0 C--O 1.25 1.109 0 N-CA-C 106.433 -1.691 . . . . 72.51 106.433 -176.332 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.519 ' HE3' ' HB2' ' A' ' 77' ' ' LYS . 13.6 tpt . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.902 0.382 . . . . 75.54 110.071 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 27.8 mtpp -131.06 151.76 51.09 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.408 -1.33 . . . . 74.03 107.408 172.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.473 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 65.5 mt -111.35 104.07 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 108.093 -1.077 . . . . 74.34 108.093 174.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.484 HD23 HD11 ' A' ' 45' ' ' LEU . 10.6 mp -113.8 123.48 49.92 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 109.376 -0.602 . . . . 73.24 109.376 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.9 mt -99.6 109.74 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 107.935 -1.135 . . . . 75.02 107.935 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.48 HD13 ' SD ' ' A' ' 67' ' ' MET . 0.4 OUTLIER -87.42 123.34 32.25 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.985 -1.007 . . . . 73.31 108.487 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.9 mm -115.97 129.45 72.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 109.13 -0.692 . . . . 70.55 109.13 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.421 ' HB2' HD21 ' A' ' 64' ' ' LEU . 55.0 t-20 -135.4 104.47 5.86 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 107.202 -1.407 . . . . 54.15 107.202 169.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.514 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.6 t -128.42 142.83 50.98 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.535 -0.757 . . . . 74.05 110.273 172.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -72.94 -24.02 60.75 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.811 -1.086 . . . . 73.53 110.263 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -83.92 106.57 15.7 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.744 -0.835 . . . . 74.45 108.744 -178.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.75 -35.45 81.12 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.614 0.766 . . . . 63.44 111.488 -175.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 42.6 mt-10 -72.92 -30.56 64.0 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.727 -0.669 . . . . 73.51 110.582 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 110' ' ' ASP . 32.6 tp -66.3 -35.42 80.34 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.92 0.488 . . . . 73.44 110.181 174.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.41 HG23 ' HE3' ' A' ' 57' ' ' LYS . 88.8 mt -56.35 -50.56 71.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 123.459 0.474 . . . . 75.35 109.797 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -53.32 -38.87 63.59 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 124.431 1.082 . . . . 74.14 111.025 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 28.3 mtpp -72.24 -50.73 25.1 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.891 0.876 . . . . 74.04 111.106 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.33 -34.76 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.961 0.904 . . . . 74.55 111.245 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.535 ' HE3' HG13 ' A' ' 29' ' ' VAL . 60.1 mtpt -59.43 -51.01 71.73 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 123.242 0.617 . . . . 72.41 109.746 173.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -65.42 -28.55 69.33 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.307 0.643 . . . . 74.13 112.193 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.52 -54.04 45.85 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.293 0.637 . . . . 73.2 110.331 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.669 HG13 HD12 ' A' ' 55' ' ' LEU . 18.8 m -76.45 -29.78 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 116.175 -0.466 . . . . 64.52 111.823 -173.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -61.94 -40.57 95.97 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.544 0.737 . . . . 74.13 109.815 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.77 -37.51 86.94 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.1 -0.954 . . . . 63.15 110.848 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -81.61 -12.68 58.64 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.475 0.71 . . . . 73.34 111.78 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.29 38.21 5.14 Favored Glycine 0 C--N 1.351 1.376 0 N-CA-C 114.264 0.466 . . . . 54.25 114.264 173.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.452 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 7.1 m-85 -101.87 144.32 30.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.84 0.856 . . . . 75.33 110.289 176.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -79.75 113.41 17.88 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.484 -0.932 . . . . 72.42 108.484 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.535 HG13 ' HE3' ' A' ' 19' ' ' LYS . 45.2 t -79.98 119.15 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 109.358 -0.608 . . . . 73.33 109.358 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -122.03 133.22 54.8 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.462 1.105 . . . . 74.34 108.05 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -111.95 116.51 30.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.119 0.968 . . . . 43.42 111.979 -163.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.4 t -105.96 121.27 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.832 0.853 . . . . 60.22 109.126 171.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -113.61 -25.74 8.58 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.029 0.532 . . . . 75.03 111.573 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.465 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 26.7 t70 -141.26 168.05 20.71 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 122.695 0.398 . . . . 73.32 110.965 -167.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.5 t -68.13 -37.11 80.73 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.525 1.13 . . . . 75.32 111.601 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.96 -50.42 64.39 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.873 -0.788 . . . . 75.44 108.873 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.465 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 67.2 mm-40 -51.57 -44.76 62.86 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 124.285 0.99 . . . . 74.33 110.333 176.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.1 tp -55.35 -61.92 2.02 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.767 1.292 . . . . 72.35 111.012 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -33.38 75.79 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.368 0.417 . . . . 75.24 111.806 -172.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 11.2 mmmm -59.65 -63.52 1.27 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.324 0.649 . . . . 74.42 110.157 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.7 pt-20 -75.12 -24.6 58.07 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.896 -0.593 . . . . 64.4 112.246 -172.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.696 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 12.0 mtp -72.06 -41.69 67.1 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.005 0.522 . . . . 75.41 111.838 178.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 11.6 mtpp -68.45 -24.34 64.71 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.959 -0.543 . . . . 74.54 110.52 176.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -70.65 -31.06 67.86 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 110.129 -0.322 . . . . 75.12 110.129 171.02 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.484 HD11 HD23 ' A' ' 4' ' ' LEU . 94.0 mt -73.08 -34.5 66.26 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.241 0.617 . . . . 74.55 110.957 176.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.71 -31.07 63.21 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.366 -0.833 . . . . 73.22 110.925 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 44.4 mt-10 -77.16 -61.26 2.04 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.176 -0.676 . . . . 72.44 109.176 172.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -87.8 83.98 7.08 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.791 1.236 . . . . 64.2 109.549 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.569 ' HZ3' ' HB2' ' A' ' 49' ' ' LYS . 10.2 mtmp? -89.89 22.61 3.08 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 114.794 -1.094 . . . . 74.45 111.443 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.573 HD21 ' HB2' ' A' ' 52' ' ' GLU . 10.7 t30 -50.66 133.57 25.51 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.996 1.319 . . . . 62.12 111.354 175.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -63.4 93.73 0.07 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.47 -0.937 . . . . 64.31 108.47 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.573 ' HB2' HD21 ' A' ' 50' ' ' ASN . 37.0 tt0 -141.19 138.24 33.22 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 114.915 -1.039 . . . . 63.23 108.935 -172.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 52.8 mtmt -95.15 98.66 10.8 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.933 0.893 . . . . 75.22 109.442 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.7 mt -112.44 126.29 69.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 123.885 0.874 . . . . 74.41 109.46 -173.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.669 HD12 HG13 ' A' ' 22' ' ' VAL . 15.6 tp -79.93 107.44 12.71 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 107.957 -1.127 . . . . 70.41 107.957 167.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.2 mm -90.6 105.69 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 107.507 -1.294 . . . . 72.24 107.507 173.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.41 ' HE3' HG23 ' A' ' 15' ' ' ILE . 12.8 tmtt? -91.66 145.71 24.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.363 -0.835 . . . . 75.01 108.862 177.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.512 ' HB3' HD12 ' A' ' 64' ' ' LEU . 35.1 t -157.38 170.7 21.85 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 124.103 0.961 . . . . 73.02 108.987 171.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -135.1 14.76 3.54 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.183 0.993 . . . . 72.4 110.877 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -149.02 118.94 7.1 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.528 0.731 . . . . 72.2 110.272 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -21.53 66.37 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.217 1.007 . . . . 74.24 113.372 -175.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 14.0 mm100 -69.65 -39.22 77.21 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 109.153 -0.684 . . . . 73.03 109.153 -178.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.36 -36.85 74.09 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 124.086 0.866 . . . . 74.31 110.604 173.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 58' ' ' SER . 9.0 mp -72.05 -35.46 69.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.724 0.81 . . . . 73.34 111.29 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 55.7 mtpt -60.89 -50.07 74.92 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.606 -0.516 . . . . 73.4 109.606 176.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 8.4 mm-40 -66.66 -32.73 74.23 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.437 1.086 . . . . 73.24 111.041 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.696 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 44.0 ttm -64.01 -55.3 23.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.011 0.924 . . . . 73.12 110.285 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.1 mt -69.64 -17.35 63.51 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.754 -1.112 . . . . 74.44 112.695 -173.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 36.0 mm-40 -60.54 -51.88 67.53 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.804 0.442 . . . . 73.24 110.501 170.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.75 -36.57 73.19 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.556 -0.747 . . . . 75.21 110.385 -178.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.443 HG23 HG21 ' A' ' 78' ' ' VAL . 58.5 mt -67.24 -31.83 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 115.705 -0.679 . . . . 73.42 111.507 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.4 m -58.37 -37.29 74.93 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.061 0.545 . . . . 53.24 111.181 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -74.2 -32.96 63.26 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.947 0.899 . . . . 74.01 110.999 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.5 mt -78.06 -31.98 50.59 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.725 -0.67 . . . . 71.55 110.467 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.79 82.18 0.07 OUTLIER Glycine 0 C--N 1.346 1.087 0 C-N-CA 124.488 1.042 . . . . 71.15 114.88 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -148.86 165.17 32.33 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.207 0.527 . . . . 75.11 111.49 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.519 ' HB2' ' HE3' ' A' ' 1' ' ' MET . 56.7 mmtt -77.16 102.89 6.79 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.032 -0.986 . . . . 75.41 111.409 -176.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.443 HG21 HG23 ' A' ' 71' ' ' ILE . 87.8 t -98.46 131.61 45.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-N 114.691 -1.14 . . . . 75.4 108.928 168.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -102.96 103.46 13.58 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 108.257 -1.016 . . . . 74.41 108.257 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 6' ' ' LEU . 23.8 tp -95.53 135.69 36.86 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.547 0.739 . . . . 72.21 110.622 -178.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.483 HD23 ' HB2' ' A' ' 113' ' ' ALA . 57.5 tp -121.57 129.89 53.15 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.257 1.023 . . . . 74.12 108.842 173.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.523 ' HB3' HD21 ' A' ' 90' ' ' LEU . 96.0 mt -115.18 102.47 9.93 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.389 -0.967 . . . . 74.0 108.389 175.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -117.04 108.23 15.5 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.28 0.562 . . . . 74.1 110.144 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.527 ' HB3' HD12 ' A' ' 90' ' ' LEU . 18.1 t0 -171.24 142.66 1.77 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 108.232 -1.025 . . . . 72.4 108.232 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -73.99 -18.52 60.85 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.855 -0.612 . . . . 72.44 110.985 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -82.21 76.76 9.07 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 107.441 -1.318 . . . . 71.01 107.441 163.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.59 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 7.7 pt-20 -78.16 -14.73 59.35 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.676 -1.147 . . . . 65.21 111.8 -175.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -62.3 -51.35 68.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.859 0.864 . . . . 71.04 110.83 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.53 -31.86 65.65 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.287 -0.415 . . . . 74.41 110.649 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.527 HD12 ' HB3' ' A' ' 84' ' ' ASP . 62.0 mt -59.8 -42.19 92.89 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 110.261 -0.274 . . . . 71.31 110.261 173.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.94 -51.48 69.49 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 124.09 0.869 . . . . 73.51 109.879 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -53.79 -50.19 66.63 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.16 0.913 . . . . 75.13 110.648 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -63.13 -51.48 66.34 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 124.368 1.042 . . . . 65.22 111.623 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.432 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -64.87 -21.28 66.78 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.69 0.396 . . . . 74.14 111.955 -175.668 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -68.31 -32.64 72.91 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.968 0.507 . . . . 73.32 111.717 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -72.05 -41.65 67.19 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.243 0.544 . . . . 72.52 110.208 172.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.429 HG22 ' HB2' ' A' ' 102' ' ' TYR . 22.5 mm -74.55 -42.82 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 115.267 -0.879 . . . . 74.12 111.142 -169.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -69.09 -30.91 69.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.234 1.014 . . . . 74.11 110.483 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.9 t -63.51 -33.96 76.74 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.44 0.696 . . . . 70.14 111.022 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -80.57 -3.07 48.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.732 0.813 . . . . 72.33 111.703 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.05 9.46 67.62 Favored Glycine 0 C--N 1.348 1.202 0 N-CA-C 113.79 0.276 . . . . 61.42 113.79 175.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.429 ' HB2' HG22 ' A' ' 97' ' ' ILE . 88.5 m-85 -75.65 149.27 38.22 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 109.538 -0.541 . . . . 75.5 109.538 172.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -87.44 100.13 12.52 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 108.578 -0.897 . . . . 74.44 108.578 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.9 p -125.7 117.43 49.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 122.926 0.49 . . . . 72.32 110.389 -177.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -101.23 135.47 42.65 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.513 -0.767 . . . . 75.41 109.098 173.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.59 ' HE2' ' HB2' ' A' ' 87' ' ' GLU . 13.1 tmtt? -113.44 117.65 32.33 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.68 1.192 . . . . 75.2 108.681 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 23.8 m -136.79 -174.1 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.925 1.29 . . . . 73.13 109.52 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.8 p -122.73 -63.74 1.24 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.399 0.68 . . . . 71.4 111.378 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -85.89 171.12 11.74 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.03 0.919 . . . . 73.41 113.334 -167.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.416 ' HB3' HD11 ' A' ' 14' ' ' LEU . 4.4 m-20 -74.38 -51.54 14.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 114.053 -1.431 . . . . 63.14 111.237 -169.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -55.49 -36.84 67.09 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.83 0.852 . . . . 72.03 111.57 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.545 ' O ' HG12 ' A' ' 116' ' ' ILE . 21.2 tp10 -75.33 -41.64 56.29 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 123.547 0.739 . . . . 74.41 109.952 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.483 ' HB2' HD23 ' A' ' 81' ' ' LEU . . . -59.09 -39.57 82.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.683 0.393 . . . . 74.13 111.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.24 -51.8 68.43 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.033 0.933 . . . . 72.42 111.599 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -66.61 -32.87 74.48 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.42 0.45 . . . . 73.31 111.072 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 112' ' ' GLU . 48.3 mm -64.26 -41.88 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.146 0.578 . . . . 75.54 110.524 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.506 ' O ' ' SD ' ' A' ' 121' ' ' MET . 79.7 t -56.56 -50.97 71.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 O-C-N 123.801 0.688 . . . . 74.33 109.807 174.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.505 ' HA ' ' SD ' ' A' ' 121' ' ' MET . 59.4 mtp85 -63.78 -26.68 68.75 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.031 0.832 . . . . 65.04 111.212 -176.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -75.57 -35.26 60.65 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.401 0.68 . . . . 74.14 111.467 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.432 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 11.7 m-85 -54.58 -49.79 69.54 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.145 0.578 . . . . 74.41 112.223 178.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.516 ' HA ' ' HB1' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -67.25 -21.02 65.75 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 123.513 0.508 . . . . 70.32 111.865 178.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -66.95 -44.3 80.95 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.292 0.496 . . . . 72.34 110.478 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -72.33 -31.95 66.1 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.513 0.325 . . . . 75.22 110.573 174.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 121' ' ' MET . . . -72.31 -12.19 61.03 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.596 0.758 . . . . 62.32 111.222 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.35 -38.35 96.12 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 112.093 -0.403 . . . . 72.04 112.093 171.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.5 m -61.92 -30.78 71.13 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.695 0.798 . . . . 74.51 111.602 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 58.4 mt -82.49 -35.21 27.62 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.498 0.719 . . . . 75.31 110.6 -175.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -57.23 -51.04 70.96 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 124.098 0.874 . . . . 72.13 109.697 173.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -78.6 99.2 6.45 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.246 -1.343 . . . . 74.25 108.08 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -54.51 125.67 20.56 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.191 0.996 . . . . 74.43 111.464 -171.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -49.63 104.6 0.07 Allowed 'General case' 0 CA--C 1.553 1.075 0 O-C-N 124.852 1.345 . . . . 74.43 113.893 -168.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -75.59 78.8 2.59 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.034 1.333 . . . . 75.14 108.813 175.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -138.78 57.97 1.66 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.878 0.871 . . . . 72.14 109.238 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 . . . . . 0 C--O 1.251 1.14 0 CA-C-N 114.578 -1.192 . . . . 75.2 109.326 179.077 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.465 ' HE2' ' HB2' ' A' ' 77' ' ' LYS . 14.6 tpt . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.773 -0.455 . . . . 72.35 109.773 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.423 ' HG3' ' H ' ' A' ' 52' ' ' GLU . 10.8 ttmm -158.26 149.67 21.15 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.589 -1.263 . . . . 74.23 107.589 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 124' ' ' ALA . 73.0 mt -111.66 103.61 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.497 -0.557 . . . . 74.11 109.497 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.514 HD23 HD13 ' A' ' 45' ' ' LEU . 10.9 mp -107.66 131.18 54.67 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.53 -0.915 . . . . 75.13 108.53 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.536 HG12 ' HB2' ' A' ' 79' ' ' PHE . 20.8 mt -109.86 114.62 47.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.123 -1.066 . . . . 70.52 108.123 170.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.533 HD21 ' SD ' ' A' ' 67' ' ' MET . 77.2 mt -89.79 133.68 34.58 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.468 0.707 . . . . 75.32 109.106 178.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.8 mm -124.11 116.65 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.925 -0.769 . . . . 74.24 108.925 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.431 ' OD1' ' HB3' ' A' ' 61' ' ' LYS . 5.2 t-20 -128.01 102.16 6.62 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 108.294 -1.002 . . . . 73.03 108.294 166.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 t -127.78 139.67 52.52 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 107.809 -1.182 . . . . 74.31 107.809 170.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -69.67 -39.68 76.87 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.358 0.411 . . . . 71.13 110.258 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -76.78 93.96 3.78 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.508 -0.769 . . . . 62.31 109.009 174.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.74 -22.16 66.92 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.357 1.463 . . . . 61.31 112.624 -171.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.62 -30.69 70.33 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.26 0.624 . . . . 75.12 111.311 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 HD12 ' HB2' ' A' ' 110' ' ' ASP . 27.9 tp -61.7 -35.15 77.19 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.051 0.54 . . . . 71.33 110.962 175.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.621 HG23 ' HG3' ' A' ' 57' ' ' LYS . 68.4 mt -58.57 -35.98 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.252 0.621 . . . . 74.34 110.784 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -63.7 -34.98 79.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.438 0.461 . . . . 73.41 110.053 -178.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.539 ' HE2' HD12 ' A' ' 114' ' ' LEU . 45.5 mtpt -74.7 -43.77 53.42 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.786 0.834 . . . . 75.44 110.485 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.3 mt -61.7 -38.13 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.3 1.04 . . . . 73.52 110.187 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.661 ' HB3' ' HZ1' ' A' ' 19' ' ' LYS . 9.2 mtpm? -57.55 -50.41 73.2 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 115.348 -0.842 . . . . 75.31 109.583 176.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -63.34 -33.75 76.21 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 123.42 0.45 . . . . 72.14 111.814 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -65.66 -43.42 89.4 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.031 0.532 . . . . 74.45 111.872 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.623 HG11 HD12 ' A' ' 55' ' ' LEU . 10.8 m -76.64 -26.98 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.176 0.19 . . . . 65.14 110.693 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.75 -32.8 73.66 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.872 0.869 . . . . 74.22 109.929 176.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -61.71 -35.21 77.38 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.53 0.732 . . . . 72.32 110.79 171.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -90.1 -9.35 48.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.426 0.69 . . . . 73.13 110.987 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.11 31.35 20.33 Favored Glycine 0 C--N 1.349 1.286 0 N-CA-C 114.473 0.549 . . . . 51.44 114.473 173.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -82.09 148.03 28.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.256 0.623 . . . . 74.12 109.679 172.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.37 158.35 27.43 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.348 -0.982 . . . . 73.55 108.348 165.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.431 HG12 HD23 ' A' ' 55' ' ' LEU . 31.9 t -131.96 119.22 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 122.826 0.45 . . . . 75.12 109.84 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -131.3 159.21 38.52 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 108.898 -0.779 . . . . 74.15 108.898 169.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -127.41 136.89 52.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.048 0.539 . . . . 71.13 111.285 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.4 t -100.34 115.02 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.487 1.115 . . . . 74.13 108.668 174.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -89.44 -31.16 17.84 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.844 0.458 . . . . 61.33 110.988 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -144.57 160.72 40.68 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.921 0.488 . . . . 72.53 111.325 -174.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -56.25 -29.67 61.38 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.117 1.367 . . . . 75.34 112.642 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.526 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 21.8 t70 -57.71 -56.15 25.66 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 123.723 0.639 . . . . 73.45 110.181 175.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.58 -41.26 94.29 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.989 0.805 . . . . 75.02 110.761 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 tp -48.51 -62.28 1.58 Allowed 'General case' 0 C--N 1.352 0.707 0 O-C-N 125.006 1.441 . . . . 71.45 111.228 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.526 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -70.18 -33.06 71.27 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.423 0.452 . . . . 74.51 111.932 -175.369 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -58.41 -51.66 68.91 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.662 0.385 . . . . 75.13 110.997 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 7.8 pt-20 -80.21 -27.97 38.7 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 119.058 -0.496 . . . . 72.24 111.157 -177.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.406 ' SD ' HD11 ' A' ' 45' ' ' LEU . 75.5 mmm -66.01 -30.64 71.21 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 118.03 0.377 . . . . 72.15 111.408 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 6.3 mptp? -66.19 -41.49 90.15 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.692 -0.484 . . . . 73.04 109.692 172.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.484 ' HB3' ' HZ3' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -67.05 -38.9 86.65 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.263 0.625 . . . . 74.33 110.431 -178.765 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.514 HD13 HD23 ' A' ' 4' ' ' LEU . 93.1 mt -67.06 -44.48 80.03 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.189 0.996 . . . . 74.25 110.204 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.24 83.48 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.497 -0.774 . . . . 63.45 111.37 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.46 -68.11 0.45 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.271 0.628 . . . . 63.54 112.285 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -153.27 110.99 3.55 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 122.886 0.475 . . . . 73.32 110.424 -168.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -163.4 3.11 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.455 0.702 . . . . 73.05 111.07 168.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 67.85 171.2 0.27 Allowed 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 124.806 1.242 . . . . 74.53 110.632 174.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -56.04 103.98 0.12 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.004 -0.739 . . . . 72.35 109.004 166.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' H ' ' HG3' ' A' ' 2' ' ' LYS . 9.8 tp10 -137.3 145.21 43.18 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.151 0.5 . . . . 75.05 110.764 -172.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -97.29 105.14 17.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.984 1.314 . . . . 73.11 108.371 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.3 mt -123.63 144.15 34.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.561 0.744 . . . . 64.5 109.43 -175.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.623 HD12 HG11 ' A' ' 22' ' ' VAL . 16.8 tp -112.64 112.51 24.09 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 107.686 -1.228 . . . . 73.15 107.686 175.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.0 mm -101.77 117.4 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 109.662 -0.496 . . . . 74.32 109.662 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.621 ' HG3' HG23 ' A' ' 15' ' ' ILE . 12.8 tmtt? -96.13 145.83 25.17 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.346 1.059 . . . . 65.14 110.124 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.502 ' HB3' HD12 ' A' ' 64' ' ' LEU . 48.4 t -159.74 158.35 31.1 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.473 0.709 . . . . 64.22 110.187 169.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -90.89 -20.62 22.04 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.855 0.862 . . . . 72.2 110.111 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.57 117.15 32.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.247 1.019 . . . . 74.3 109.238 -175.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HB3' ' OD1' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -77.46 -11.91 59.9 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.725 0.81 . . . . 74.34 112.9 -178.118 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.415 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 10.6 mm100 -74.59 -32.52 62.4 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.707 -0.479 . . . . 72.14 109.707 -178.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.02 -37.56 83.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.58 0.752 . . . . 73.23 110.058 171.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 80' ' ' LEU . 7.7 mp -68.16 -32.4 72.62 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 114.837 -1.074 . . . . 71.12 110.227 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -65.85 -54.81 21.78 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.545 0.338 . . . . 71.22 110.109 176.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 13.8 mm-40 -63.84 -25.98 68.41 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.248 0.968 . . . . 73.01 111.146 -176.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.533 ' SD ' HD21 ' A' ' 6' ' ' LEU . 38.0 ttm -66.85 -51.8 51.2 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.714 0.806 . . . . 61.25 109.869 172.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.04 -25.99 67.3 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.022 0.929 . . . . 73.43 112.263 -177.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -64.53 -36.14 83.25 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.945 0.498 . . . . 64.51 110.533 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.9 mt -77.49 -40.63 42.32 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.449 0.699 . . . . 74.24 110.256 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.457 HD13 HG21 ' A' ' 78' ' ' VAL . 73.8 mt -66.42 -31.12 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.616 1.166 . . . . 74.43 111.862 -176.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.5 p -62.1 -29.56 70.4 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.762 0.425 . . . . 74.53 111.545 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -86.48 -29.72 22.55 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.019 0.527 . . . . 75.31 110.656 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.04 -26.0 61.14 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.059 0.544 . . . . 74.43 111.12 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.93 63.07 3.46 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.743 0.652 . . . . 61.03 114.397 173.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -149.33 158.23 44.0 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 121.011 0.434 . . . . 75.0 111.548 172.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.465 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 69.9 mmtt -80.1 138.56 36.97 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.963 -1.017 . . . . 75.32 111.682 -175.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.457 HG21 HD13 ' A' ' 71' ' ' ILE . 91.9 t -129.65 144.33 38.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 124.505 1.122 . . . . 64.24 109.51 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.536 ' HB2' HG12 ' A' ' 5' ' ' ILE . 55.2 m-85 -117.95 108.82 15.75 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 124.171 0.988 . . . . 75.45 108.85 -175.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.521 HD11 HD23 ' A' ' 64' ' ' LEU . 20.5 tp -106.2 134.42 49.36 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.9 -0.408 . . . . 73.43 109.9 -176.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.405 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 40.7 tp -124.91 124.73 42.69 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.388 0.675 . . . . 73.31 109.464 174.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.523 ' HB3' HD13 ' A' ' 90' ' ' LEU . 51.7 mt -110.97 137.49 48.53 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.754 1.222 . . . . 70.52 108.293 177.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.64 126.13 10.9 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 117.861 0.3 . . . . 72.51 110.571 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -174.67 163.09 3.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.384 0.673 . . . . 72.1 110.163 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -72.03 -29.94 64.69 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.165 0.986 . . . . 71.53 111.361 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -87.49 61.93 6.84 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 122.778 1.275 . . . . 65.35 108.073 168.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.46 -16.58 60.31 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 113.986 -1.461 . . . . 75.12 111.569 -176.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.91 -44.36 96.95 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.708 1.203 . . . . 64.01 111.632 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.42 -49.38 66.96 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.804 0.442 . . . . 74.14 110.578 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' ' 82' ' ' LEU . 98.9 mt -63.03 -23.41 67.44 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.196 -0.911 . . . . 74.53 111.413 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.54 -39.49 91.83 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.356 1.062 . . . . 64.12 111.064 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.28 -34.66 25.71 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.469 0.308 . . . . 74.53 110.52 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -56.88 -48.36 78.32 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.503 0.721 . . . . 72.2 110.191 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -27.34 68.37 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.158 -0.928 . . . . 75.44 111.73 -178.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -66.94 -41.97 86.05 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.898 0.479 . . . . 74.22 110.743 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.33 -48.6 79.11 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.695 0.622 . . . . 65.22 110.628 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.3 mm -64.38 -33.92 65.93 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 123.497 0.719 . . . . 72.14 110.618 -177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.39 -34.13 72.19 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.206 1.002 . . . . 72.52 111.066 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.4 t -74.98 -13.18 60.48 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.433 0.693 . . . . 70.52 111.026 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -90.45 -0.76 57.79 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.95 0.9 . . . . 71.13 111.085 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.94 25.99 35.98 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 116.573 -0.285 . . . . 63.14 113.407 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -106.8 140.37 39.75 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.688 0.395 . . . . 65.04 110.223 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.467 ' O ' ' HA ' ' A' ' 79' ' ' PHE . 15.6 tp10 -78.0 102.46 7.4 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.693 -0.854 . . . . 63.31 108.693 178.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 p -133.81 133.52 56.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 123.065 0.546 . . . . 75.23 110.861 -172.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -128.42 158.77 37.38 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.884 0.874 . . . . 74.54 109.765 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.411 ' HB3' ' HE3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -137.37 131.53 32.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.887 -1.051 . . . . 73.52 108.358 177.181 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.1 m -135.19 -177.82 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.485 1.114 . . . . 70.03 110.386 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -130.52 -39.2 1.3 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.789 1.236 . . . . 73.13 109.831 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -78.65 135.29 37.17 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.694 -0.685 . . . . 74.43 109.725 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.446 ' HB2' HD12 ' A' ' 14' ' ' LEU . 11.6 p-10 -70.63 -36.69 73.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.55 1.14 . . . . 73.41 110.766 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.87 -40.43 96.52 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.889 -1.051 . . . . 71.34 110.278 175.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.523 ' O ' HG12 ' A' ' 116' ' ' ILE . 19.0 tp10 -71.11 -34.45 71.11 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.807 -0.633 . . . . 75.03 110.223 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -58.41 -43.3 88.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.654 0.382 . . . . 71.13 111.78 178.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.539 HD12 ' HE2' ' A' ' 17' ' ' LYS . 16.3 mt -66.92 -40.52 87.65 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.601 0.563 . . . . 74.22 111.904 -176.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 118' ' ' ARG . 13.0 ptmm? -73.87 -23.19 59.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 122.589 0.356 . . . . 75.44 110.446 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 112' ' ' GLU . 40.1 mm -74.09 -37.95 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.069 0.548 . . . . 75.12 110.882 172.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 113' ' ' ALA . 87.1 t -55.69 -37.54 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.376 0.67 . . . . 74.24 110.298 173.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.411 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 95.8 mtt180 -71.91 -28.64 63.62 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.123 -0.944 . . . . 72.41 111.384 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.58 -40.53 73.22 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.625 0.37 . . . . 73.42 110.704 173.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.405 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 22.4 m-85 -54.91 -32.82 61.48 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.163 0.585 . . . . 75.23 111.587 174.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.418 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 21.9 mmt -71.81 -24.82 61.79 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.639 0.775 . . . . 74.15 111.938 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.18 -49.51 43.02 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.484 0.713 . . . . 71.13 109.849 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -38.51 88.19 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.14 -0.936 . . . . 74.4 110.024 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.543 ' HA ' HD13 ' A' ' 127' ' ' LEU . . . -71.03 -28.5 64.43 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.065 0.946 . . . . 65.42 110.852 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.97 -42.11 99.74 Favored Glycine 0 C--N 1.344 1.024 0 CA-C-N 115.182 -0.917 . . . . 75.43 112.732 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.4 m -62.02 -31.8 72.23 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.166 0.587 . . . . 75.24 111.152 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' A' ' 124' ' ' ALA . 31.9 mt -81.37 -4.5 55.91 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.135 0.974 . . . . 74.41 111.233 -174.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -76.69 -23.74 53.18 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.178 0.991 . . . . 72.42 109.641 173.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 67.97 90.73 0.09 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 125.171 1.389 . . . . 73.22 110.088 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -97.47 -146.58 0.31 Allowed 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 109.117 -0.698 . . . . 73.3 109.117 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -55.98 -36.24 67.65 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.21 0.604 . . . . 74.4 109.977 167.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -89.27 126.08 35.36 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 124.327 1.051 . . . . 75.25 108.79 170.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -115.15 -63.47 1.45 Allowed 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.721 -0.844 . . . . 73.33 108.721 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 41.9 t60 . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.616 -0.883 . . . . 73.13 108.616 174.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.059 -0.719 . . . . 73.33 109.059 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -148.23 127.94 13.37 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.133 -1.062 . . . . 75.51 108.133 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.508 HG23 ' HB3' ' A' ' 124' ' ' ALA . 71.6 mt -91.84 122.75 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 109.318 -0.623 . . . . 71.22 109.318 -175.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.474 HD12 HD21 ' A' ' 45' ' ' LEU . 11.2 mp -115.61 144.19 44.26 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.463 0.705 . . . . 71.04 109.365 173.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.468 HG12 ' HB2' ' A' ' 79' ' ' PHE . 33.3 mt -122.22 111.43 30.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 N-CA-C 107.187 -1.412 . . . . 71.33 107.187 163.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.41 HD21 ' SD ' ' A' ' 67' ' ' MET . 63.6 mt -89.68 121.06 31.5 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.423 0.689 . . . . 72.11 109.41 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.483 HG13 HG21 ' A' ' 18' ' ' ILE . 45.9 mm -109.5 116.59 52.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 CA-C-N 115.527 -0.761 . . . . 70.22 109.457 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -119.41 101.95 8.32 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.22 -1.03 . . . . 72.03 108.22 169.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.615 ' HB ' ' HB1' ' A' ' 83' ' ' ALA . 6.5 t -130.94 146.02 52.21 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.518 0.727 . . . . 74.31 109.476 168.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -69.96 -20.98 63.29 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 115.706 -0.679 . . . . 73.51 110.699 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -91.39 101.86 14.54 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.477 0.711 . . . . 73.24 110.208 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.68 -29.88 70.89 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.461 0.705 . . . . 75.33 110.827 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.65 -35.33 75.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.167 0.987 . . . . 72.11 110.466 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.51 -38.63 90.69 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.682 0.393 . . . . 74.15 110.249 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.52 HD13 ' HD3' ' A' ' 57' ' ' LYS . 56.9 mt -61.21 -37.81 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.207 0.603 . . . . 75.32 110.523 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 94.4 mttt -54.99 -34.92 63.8 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.287 0.635 . . . . 74.5 111.462 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 24.5 mtpp -76.91 -44.19 32.65 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.468 -0.787 . . . . 74.44 110.385 177.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.483 HG21 HG13 ' A' ' 7' ' ' ILE . 81.1 mt -59.33 -37.24 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 124.287 1.035 . . . . 72.12 111.515 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.575 ' HG2' HG12 ' A' ' 29' ' ' VAL . 27.6 mtpp -57.97 -53.1 62.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.337 1.055 . . . . 73.35 109.096 175.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -67.06 -26.13 66.59 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.469 -0.787 . . . . 73.2 112.571 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 21.0 mm-40 -63.57 -55.12 26.28 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 121.168 0.508 . . . . 72.3 110.218 173.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.45 -29.12 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 N-CA-C 112.861 0.689 . . . . 73.52 112.861 -171.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.42 -20.5 66.19 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 112.451 0.537 . . . . 71.1 112.451 -176.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -59.36 -41.44 89.25 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.033 0.533 . . . . 73.52 110.914 171.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -91.62 7.92 39.22 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.303 0.641 . . . . 70.3 111.509 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.93 27.09 51.54 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-O 119.657 -0.524 . . . . 75.14 114.368 171.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -70.17 129.16 38.65 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 117.337 0.568 . . . . 63.31 109.711 172.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -79.72 111.38 15.96 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 107.722 -1.214 . . . . 72.12 107.722 170.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.575 HG12 ' HG2' ' A' ' 19' ' ' LYS . 39.1 t -90.12 119.26 36.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.683 -0.858 . . . . 73.35 108.683 177.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.41 124.52 50.22 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.807 -1.183 . . . . 75.21 107.807 168.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.455 ' HA ' ' HG3' ' A' ' 57' ' ' LYS . 6.6 m-20 -91.6 112.14 23.94 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 114.591 -1.186 . . . . 75.13 109.072 -174.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.6 t -89.11 115.25 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.688 0.795 . . . . 70.41 109.863 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -96.9 -19.4 18.86 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.701 0.8 . . . . 72.22 111.658 -175.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -159.75 171.32 19.73 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.744 0.418 . . . . 65.11 110.386 -172.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 t -61.26 -28.7 69.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.412 1.085 . . . . 75.24 111.572 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.6 -53.56 56.95 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 123.764 0.826 . . . . 53.14 109.563 170.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.87 -20.67 65.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.598 0.759 . . . . 64.54 111.893 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 67' ' ' MET . 68.4 tp -68.74 -58.04 4.79 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.495 0.718 . . . . 71.24 110.176 173.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -29.79 70.12 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 123.376 0.423 . . . . 74.41 111.3 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -55.75 -42.66 75.76 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.33 1.052 . . . . 75.31 110.827 171.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.521 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 41.8 mm-40 -80.82 -24.76 38.26 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.649 -0.705 . . . . 71.13 112.161 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.51 ' HE1' ' HB2' ' A' ' 70' ' ' LEU . 81.1 mmm -67.14 -27.87 67.67 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 117.779 0.263 . . . . 74.11 110.632 174.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.52 -45.96 84.96 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.185 0.517 . . . . 75.51 109.724 167.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -64.93 -21.48 66.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.252 -0.886 . . . . 74.31 111.86 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 68.9 mt -89.59 -45.99 8.98 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.894 0.702 . . . . 72.35 112.894 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.08 -36.92 12.43 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.554 1.316 . . . . 73.34 114.554 -164.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -57.07 -43.21 81.88 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.055 0.455 . . . . 73.13 111.139 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.33 137.26 48.7 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.423 -0.954 . . . . 72.02 108.423 166.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -106.64 22.39 15.95 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 122.012 0.91 . . . . 74.15 108.559 -178.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -67.81 153.41 43.78 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.064 1.346 . . . . 61.1 111.014 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.04 131.01 47.15 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 112.904 0.705 . . . . 75.4 112.904 -173.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -171.19 146.37 2.36 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.757 1.223 . . . . 74.24 109.322 172.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -91.35 120.38 32.17 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 108.414 -0.958 . . . . 72.42 108.414 171.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.4 mt -126.29 123.12 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.544 0.737 . . . . 63.31 109.776 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.2 tp -90.95 114.26 26.7 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.012 -1.107 . . . . 75.2 108.012 168.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.3 mm -105.13 123.24 59.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.335 -0.987 . . . . 75.22 108.335 173.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.52 ' HD3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -109.68 149.74 29.29 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.316 -0.624 . . . . 72.31 109.316 176.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.543 ' HB3' HD13 ' A' ' 64' ' ' LEU . 41.4 t -170.77 120.39 0.55 Allowed 'General case' 0 C--O 1.24 0.601 0 C-N-CA 124.441 1.096 . . . . 73.25 108.563 174.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -65.82 -26.2 67.56 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.072 0.949 . . . . 71.5 110.75 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -83.28 115.12 21.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.17 0.988 . . . . 65.23 109.013 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -76.07 -22.49 55.56 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.727 0.64 . . . . 72.34 112.727 -174.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -71.67 -33.37 68.79 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.134 0.271 . . . . 75.11 110.352 -174.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt -58.72 -37.32 75.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.128 0.571 . . . . 75.21 111.251 175.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 58' ' ' SER . 7.1 mp -69.91 -35.68 74.79 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.517 0.727 . . . . 72.42 110.538 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.554 ' HB3' ' HZ2' ' A' ' 65' ' ' LYS . 6.8 mtpm? -60.18 -56.39 22.12 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.368 0.604 . . . . 74.52 109.915 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -66.35 -26.42 67.27 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 113.943 -1.481 . . . . 72.33 111.644 -175.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.501 ' HB2' HD12 ' A' ' 38' ' ' LEU . 33.5 ttm -65.17 -52.3 55.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.59 0.756 . . . . 74.23 109.44 173.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.519 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 98.4 mt -63.63 -32.24 73.66 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 124.284 0.99 . . . . 71.5 111.847 -177.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -61.66 -33.37 73.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.024 0.53 . . . . 54.42 111.238 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.51 ' HB2' ' HE1' ' A' ' 42' ' ' MET . 76.4 mt -85.86 -30.43 22.92 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.062 0.545 . . . . 74.2 111.033 175.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.519 ' HB ' ' HA ' ' A' ' 68' ' ' LEU . 41.9 mt -67.7 -28.3 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 123.962 0.905 . . . . 71.12 111.251 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -58.41 -23.07 56.24 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.44 0.696 . . . . 63.12 112.098 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -71.63 -41.79 68.41 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.004 0.921 . . . . 75.52 110.662 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.4 mt -76.87 -39.01 52.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.901 0.88 . . . . 73.32 111.406 -177.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.6 83.68 0.1 Allowed Glycine 0 C--N 1.352 1.42 0 O-C-N 123.597 0.561 . . . . 54.22 113.917 175.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -152.23 170.95 18.74 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.181 0.515 . . . . 75.24 111.906 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -71.54 111.53 6.92 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.152 -0.931 . . . . 75.4 110.917 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.437 HG11 HD22 ' A' ' 68' ' ' LEU . 44.2 t -110.23 132.68 57.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 107.905 -1.146 . . . . 74.42 107.905 169.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.468 ' HB2' HG12 ' A' ' 5' ' ' ILE . 73.6 m-85 -108.59 107.92 18.61 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.397 -0.964 . . . . 70.24 108.397 -177.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.1 tp -102.74 139.48 38.26 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.605 0.762 . . . . 75.11 109.344 -174.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.8 tp -134.84 132.75 38.98 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.556 0.742 . . . . 75.35 109.271 178.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.558 ' HB3' HD23 ' A' ' 90' ' ' LEU . 78.1 mt -121.04 115.9 24.02 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.088 0.955 . . . . 70.45 109.288 -175.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.615 ' HB1' ' HB ' ' A' ' 9' ' ' THR . . . -130.62 109.67 10.82 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.305 0.574 . . . . 72.44 112.047 -173.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.2 t70 179.42 170.2 1.02 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 125.409 1.484 . . . . 74.11 107.712 171.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -83.63 2.27 38.26 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.395 0.678 . . . . 74.15 111.598 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -86.67 40.07 0.87 Allowed 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 122.003 0.906 . . . . 74.41 109.706 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -57.08 -21.73 33.96 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 113.966 -1.47 . . . . 72.31 113.387 -167.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.52 -51.31 69.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.881 0.872 . . . . 73.32 110.364 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.34 -42.24 79.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.493 -0.776 . . . . 74.25 110.234 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.558 HD23 ' HB3' ' A' ' 82' ' ' LEU . 85.3 mt -62.68 -32.09 73.1 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 123.974 0.796 . . . . 74.11 111.519 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -70.35 -48.46 56.31 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.952 0.901 . . . . 71.12 110.036 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.07 -42.0 94.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.706 -0.679 . . . . 71.33 110.49 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.463 ' CE1' ' HG2' ' A' ' 65' ' ' LYS . 3.8 t80 -59.86 -50.08 75.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.259 1.024 . . . . 75.33 110.709 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -27.46 69.19 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 123.044 0.215 . . . . 75.32 111.464 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.11 -36.44 77.54 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.062 0.545 . . . . 73.11 111.676 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -44.21 84.82 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.236 0.614 . . . . 75.02 110.708 175.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.435 HG22 ' HB2' ' A' ' 102' ' ' TYR . 38.9 mm -70.39 -38.9 75.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.11 -0.95 . . . . 71.45 110.696 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -68.73 -32.85 72.92 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.829 1.252 . . . . 75.31 111.035 176.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -68.51 -22.29 64.53 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.465 0.706 . . . . 73.04 111.099 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -96.14 9.26 41.49 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.535 0.734 . . . . 75.15 111.222 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.94 -4.28 85.61 Favored Glycine 0 C--N 1.35 1.343 0 CA-C-O 119.246 -0.752 . . . . 75.12 114.839 172.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.435 ' HB2' HG22 ' A' ' 97' ' ' ILE . 98.1 m-85 -69.43 142.34 53.86 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 117.717 0.759 . . . . 74.41 110.263 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -71.98 118.83 15.34 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 108.45 -0.945 . . . . 73.11 108.45 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.62 144.56 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.273 0.629 . . . . 73.22 111.011 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -134.85 153.17 52.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.527 1.131 . . . . 75.42 108.606 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.481 ' HB3' ' HZ2' ' A' ' 106' ' ' LYS . 3.9 ttpm? -118.41 140.23 50.17 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 108.986 -0.746 . . . . 74.23 108.986 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.9 m -134.52 161.65 40.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 125.039 1.336 . . . . 74.5 108.917 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.0 p -122.28 -7.45 8.76 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.034 0.934 . . . . 73.12 110.666 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -122.28 157.71 31.11 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.676 0.79 . . . . 73.21 110.386 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -71.87 -58.03 3.81 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.521 1.128 . . . . 72.41 112.049 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 114' ' ' LEU . 31.1 mt-10 -70.58 -26.9 63.74 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.399 -0.819 . . . . 73.35 110.534 -174.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.467 ' O ' HG12 ' A' ' 116' ' ' ILE . 49.3 tt0 -63.56 -43.58 96.63 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.122 -1.399 . . . . 71.13 110.229 172.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.425 ' O ' HG21 ' A' ' 117' ' ' VAL . . . -58.65 -50.27 74.48 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 123.033 0.533 . . . . 72.54 110.624 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 111' ' ' GLU . 78.1 mt -51.51 -42.49 61.75 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.547 1.139 . . . . 73.15 111.519 176.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -65.42 -40.04 92.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.747 1.219 . . . . 73.54 111.347 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.467 HG12 ' O ' ' A' ' 112' ' ' GLU . 42.9 mm -75.76 -29.89 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 123.063 0.545 . . . . 73.24 110.746 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 113' ' ' ALA . 75.2 t -59.1 -45.59 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.272 0.629 . . . . 71.13 109.82 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.481 ' HA ' ' SD ' ' A' ' 121' ' ' MET . 47.0 mtp85 -65.1 -33.85 77.01 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.019 0.825 . . . . 74.45 110.908 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -63.67 -49.82 71.7 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.248 0.619 . . . . 74.13 110.402 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -57.15 -34.39 68.38 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.824 0.85 . . . . 73.11 111.664 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.481 ' SD ' ' HA ' ' A' ' 118' ' ' ARG . 68.4 mtp -64.04 -37.28 86.87 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.87 0.868 . . . . 74.21 111.231 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -69.79 -45.7 67.37 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 122.988 0.515 . . . . 74.13 110.363 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.438 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 13.8 mptt -64.42 -36.84 85.48 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.241 -0.89 . . . . 74.43 110.399 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.508 ' HB3' HG23 ' A' ' 3' ' ' ILE . . . -70.67 -38.53 73.77 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.921 0.763 . . . . 61.31 111.047 177.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.13 -42.61 99.73 Favored Glycine 0 C--N 1.347 1.193 0 O-C-N 123.488 0.492 . . . . 63.54 112.202 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.9 p -71.48 -18.21 62.31 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.466 0.707 . . . . 65.4 112.241 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 97.9 mt -64.83 -40.75 95.68 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 118.25 0.477 . . . . 74.15 110.917 176.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -59.78 -69.0 0.23 Allowed 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 122.375 1.083 . . . . 74.42 109.077 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -102.67 68.66 1.04 Allowed 'General case' 0 C--O 1.239 0.523 0 CA-C-N 113.417 -1.72 . . . . 74.32 108.41 -175.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -76.78 77.21 3.39 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 114.762 -1.108 . . . . 75.4 111.732 -173.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -170.37 -38.77 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.868 2.067 . . . . 72.05 108.473 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -114.38 140.37 48.72 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.848 0.859 . . . . 75.44 111.104 -174.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -123.49 161.87 24.01 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 125.151 1.38 . . . . 75.43 110.177 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 . . . . . 0 CA--C 1.556 1.193 0 O-C-N 123.472 0.482 . . . . 74.11 110.753 178.653 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.473 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 12.2 tpt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.973 -0.38 . . . . 64.21 109.973 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.497 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 19.6 ttmm -105.84 134.69 48.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 122.847 0.459 . . . . 74.23 109.824 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.438 HD12 ' HB1' ' A' ' 124' ' ' ALA . 70.9 mt -106.49 120.56 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.776 1.23 . . . . 74.13 109.137 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.546 HD22 HD13 ' A' ' 45' ' ' LEU . 10.4 mp -114.16 138.63 50.19 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.639 0.776 . . . . 73.3 109.423 175.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.2 mt -115.71 107.84 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.946 -1.131 . . . . 74.31 107.946 166.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.453 ' HB3' HD12 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -87.88 124.62 33.85 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.517 1.127 . . . . 75.02 108.996 179.059 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.44 HG13 HG23 ' A' ' 18' ' ' ILE . 49.0 mm -113.59 115.83 50.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 108.999 -0.741 . . . . 71.21 108.999 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.478 ' HB2' HD23 ' A' ' 64' ' ' LEU . 28.6 t-20 -112.42 100.46 8.79 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 107.593 -1.262 . . . . 73.44 107.593 170.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.495 ' HB ' ' HB2' ' A' ' 83' ' ' ALA . 7.6 t -130.45 147.65 52.17 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.266 0.626 . . . . 73.54 110.755 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -71.76 -25.71 62.14 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.134 -0.939 . . . . 75.4 111.039 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -96.53 121.92 38.88 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.695 0.798 . . . . 74.33 111.496 -171.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.48 ' HA ' HD11 ' A' ' 15' ' ' ILE . 5.9 m-20 -69.88 -35.75 74.91 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.591 0.756 . . . . 62.33 110.867 173.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -57.24 -42.58 81.71 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.126 0.891 . . . . 75.44 110.94 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.8 tp -66.47 -40.51 89.38 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.951 0.9 . . . . 73.22 110.847 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.48 HD11 ' HA ' ' A' ' 12' ' ' ASP . 92.7 mt -55.34 -50.11 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.818 0.847 . . . . 64.34 110.887 178.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -59.62 -30.97 69.07 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.039 0.837 . . . . 73.32 111.665 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HE2' HD11 ' A' ' 114' ' ' LEU . 56.8 mtpt -81.42 -42.41 20.43 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.746 0.818 . . . . 72.11 110.817 -178.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.44 HG23 HG13 ' A' ' 7' ' ' ILE . 59.6 mt -62.05 -33.7 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.76 0.824 . . . . 73.31 109.882 176.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.619 ' HZ2' ' HB3' ' A' ' 19' ' ' LYS . 8.6 mtpm? -57.75 -53.44 58.17 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 123.204 0.602 . . . . 74.53 110.391 175.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -69.37 -23.09 63.7 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.209 0.448 . . . . 65.02 112.209 -176.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 37.7 mm-40 -63.9 -57.92 8.34 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.359 -0.608 . . . . 65.31 109.359 169.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.684 HG11 HD13 ' A' ' 55' ' ' LEU . 16.3 m -71.27 -28.32 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 115.642 -0.708 . . . . 74.25 112.261 -170.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.31 -41.62 96.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.498 0.719 . . . . 74.11 110.295 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -78.38 -12.42 60.0 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.209 -0.451 . . . . 70.21 111.743 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 22.7 mm-40 -90.75 -12.12 37.5 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.01 0.524 . . . . 75.11 111.11 173.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.9 37.59 4.9 Favored Glycine 0 C--N 1.353 1.509 0 O-C-N 123.118 0.261 . . . . 64.41 113.649 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.441 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 12.2 m-85 -111.65 136.95 50.17 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.818 0.847 . . . . 73.44 109.731 175.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -82.77 138.27 34.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.56 -0.904 . . . . 73.11 108.56 168.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.491 HG11 ' HE2' ' A' ' 19' ' ' LYS . 41.2 t -100.17 121.68 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 109.923 -0.399 . . . . 74.11 109.923 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.23 113.01 25.2 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.079 0.951 . . . . 75.43 109.27 169.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 11.3 p-10 -90.98 114.65 27.22 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 108.812 -0.81 . . . . 74.1 108.812 170.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.3 t -82.03 110.84 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.379 -0.971 . . . . 75.54 108.379 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -87.97 -34.32 18.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.568 0.747 . . . . 73.03 110.789 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -151.05 168.8 23.5 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.699 -0.682 . . . . 75.1 110.619 -163.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 t -64.33 -30.58 71.62 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.427 0.691 . . . . 74.34 111.64 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.529 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 17.8 t70 -61.99 -47.22 85.77 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.519 0.728 . . . . 72.13 110.439 173.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -53.62 -50.07 66.49 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.18 0.925 . . . . 61.0 109.991 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 67' ' ' MET . 57.5 tp -55.87 -58.09 9.34 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.029 -1.442 . . . . 75.4 112.397 -176.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.529 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -66.97 -37.66 84.66 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 111.838 0.31 . . . . 74.44 111.838 -175.213 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -61.07 -47.72 85.03 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.292 0.237 . . . . 62.22 111.525 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.8 pt-20 -70.61 -34.79 72.51 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 119.359 -0.353 . . . . 74.31 110.476 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.483 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -60.97 -40.53 93.72 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.499 0.72 . . . . 71.03 112.062 -177.652 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 5.5 mptp? -61.79 -38.99 90.12 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.679 -0.691 . . . . 75.03 110.36 175.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 9.6 mmpt? -69.42 -39.01 78.14 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.888 0.475 . . . . 74.21 111.153 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.546 HD13 HD22 ' A' ' 4' ' ' LEU . 71.6 mt -68.66 -22.8 64.37 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.24 0.616 . . . . 75.0 110.436 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.68 -49.06 10.2 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.807 0.843 . . . . 72.04 111.993 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 22.5 mm-40 -76.72 -49.67 15.49 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.73 0.412 . . . . 55.31 112.054 -172.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.55 97.4 1.31 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 108.386 -0.968 . . . . 71.44 108.386 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -100.74 -6.33 25.15 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.174 0.435 . . . . 71.43 112.174 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -71.11 171.03 11.67 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.726 0.41 . . . . 74.41 110.183 176.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 1' ' ' MET . 48.2 t80 -65.79 133.53 51.2 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.022 -0.535 . . . . 73.11 110.428 -176.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.497 ' HB3' ' HG3' ' A' ' 2' ' ' LYS . 43.9 tt0 -165.97 147.76 7.03 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.17 0.988 . . . . 72.34 108.48 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 97.1 mttt -122.4 121.13 35.94 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.918 0.887 . . . . 75.01 109.054 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 49.8 mt -130.45 128.11 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 122.842 0.457 . . . . 74.01 110.528 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.684 HD13 HG11 ' A' ' 22' ' ' VAL . 23.3 tp -81.66 110.37 16.95 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 108.362 -0.977 . . . . 71.35 108.362 166.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.7 mm -92.4 114.37 29.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 108.81 -0.811 . . . . 74.23 108.81 175.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.473 ' HB3' ' HA ' ' A' ' 31' ' ' ASP . 13.6 tmtt? -90.45 128.66 36.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.213 -1.032 . . . . 65.43 108.213 170.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.3 t -160.57 115.88 2.25 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.197 -1.038 . . . . 73.12 108.197 173.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -94.82 -17.5 22.05 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.622 0.769 . . . . 72.5 110.454 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -88.97 112.0 22.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.154 0.581 . . . . 74.32 109.993 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -58.4 -25.22 61.86 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.378 1.071 . . . . 73.3 113.569 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -69.13 -38.83 79.04 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.636 0.374 . . . . 71.33 110.203 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.68 -39.46 91.5 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 123.674 0.609 . . . . 74.22 110.621 175.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 8' ' ' ASN . 6.5 mp -68.77 -41.02 79.4 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.834 0.454 . . . . 75.3 111.48 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.549 ' HZ1' ' HB3' ' A' ' 65' ' ' LYS . 4.9 mmmp? -60.8 -57.52 12.3 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.926 0.49 . . . . 73.43 110.19 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.13 -40.12 73.29 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 124.256 0.972 . . . . 64.35 111.57 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.483 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 35.7 ttm -60.11 -56.85 16.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.858 0.863 . . . . 75.44 110.627 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.551 HD22 HD12 ' A' ' 71' ' ' ILE . 95.8 mt -69.15 -20.78 64.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.918 0.887 . . . . 72.51 112.034 -175.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -75.49 -33.71 60.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.217 0.607 . . . . 72.44 110.552 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.439 ' HB2' ' SD ' ' A' ' 42' ' ' MET . 95.0 mt -78.64 -29.9 46.08 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.887 0.375 . . . . 71.13 110.511 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.551 HD12 HD22 ' A' ' 68' ' ' LEU . 76.9 mt -74.38 -21.13 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.949 0.9 . . . . 74.03 110.161 174.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 t -57.83 -20.94 39.64 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.787 0.662 . . . . 72.43 112.787 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -86.34 -34.3 20.31 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.107 0.563 . . . . 74.33 111.297 174.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.5 mt -82.97 -51.23 7.77 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.677 0.791 . . . . 74.12 110.772 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.38 33.07 57.13 Favored Glycine 0 C--N 1.342 0.896 0 CA-C-N 115.194 -0.912 . . . . 73.34 114.398 171.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -85.46 168.16 14.82 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 117.294 0.547 . . . . 74.13 110.627 173.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.403 ' H ' ' HE1' ' A' ' 1' ' ' MET . 73.3 mmtt -75.45 105.11 6.3 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.577 -0.738 . . . . 75.25 111.282 -176.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.412 HG12 HD21 ' A' ' 68' ' ' LEU . 39.8 t -98.25 131.8 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 108.443 -0.947 . . . . 73.42 108.443 170.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -112.87 107.34 15.89 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.243 -1.021 . . . . 74.3 108.243 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.453 HD12 ' HB3' ' A' ' 6' ' ' LEU . 30.6 tp -105.11 141.92 35.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.488 0.715 . . . . 75.2 110.018 -172.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.421 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 33.1 tp -133.13 112.38 11.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.856 0.862 . . . . 72.42 109.497 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.458 HD23 ' HB3' ' A' ' 8' ' ' ASN . 66.2 mt -94.75 93.15 7.34 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.461 1.104 . . . . 73.43 108.951 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB2' ' HB ' ' A' ' 9' ' ' THR . . . -103.39 107.8 18.77 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.39 0.676 . . . . 71.22 111.235 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.523 ' HB3' HD12 ' A' ' 90' ' ' LEU . 25.9 t70 -178.17 158.11 1.16 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.56 1.144 . . . . 62.31 109.038 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -79.74 54.66 1.86 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.937 0.895 . . . . 74.3 110.703 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -143.05 117.1 9.44 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.544 0.737 . . . . 72.33 109.288 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.9 -35.46 16.5 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 122.82 0.448 . . . . 73.1 110.044 170.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -56.89 -67.71 0.29 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.495 0.554 . . . . 72.42 112.495 -167.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -79.47 -36.26 39.01 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 119.515 -0.279 . . . . 74.02 111.448 -174.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 84' ' ' ASP . 60.7 mt -64.67 -43.43 93.6 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 111.831 0.308 . . . . 74.3 111.831 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 23.6 tt0 -70.9 -20.14 62.53 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.956 0.502 . . . . 73.22 110.881 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -82.0 -44.88 16.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.712 0.405 . . . . 75.44 110.433 172.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.415 ' O ' HG12 ' A' ' 97' ' ' ILE . 75.1 t80 -57.43 -48.4 79.24 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.671 1.188 . . . . 74.42 110.548 -176.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -24.52 67.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.909 -1.042 . . . . 75.15 112.717 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 78.1 mtp180 -66.13 -38.64 88.64 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.833 0.453 . . . . 63.54 110.601 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.71 -31.19 52.2 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.826 0.85 . . . . 74.41 110.581 -178.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.469 HG22 ' HB2' ' A' ' 102' ' ' TYR . 24.9 mm -71.44 -45.36 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 109.404 -0.591 . . . . 74.02 109.404 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.11 -30.3 69.43 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 114.944 -1.026 . . . . 65.14 110.384 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.7 t -64.05 -34.92 79.13 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.332 0.653 . . . . 72.1 111.396 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -79.82 -5.75 56.02 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.662 0.785 . . . . 73.24 111.7 177.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.74 19.65 39.87 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 116.322 -0.399 . . . . 61.43 113.254 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.469 ' HB2' HG22 ' A' ' 97' ' ' ILE . 26.2 m-85 -94.81 151.23 19.41 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 117.117 0.458 . . . . 72.21 109.928 176.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.82 125.83 29.95 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.209 -1.034 . . . . 73.54 108.209 174.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.48 142.83 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 122.959 0.504 . . . . 71.41 110.768 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -134.68 143.32 47.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.24 1.016 . . . . 75.41 109.693 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.36 131.48 52.75 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 107.769 -1.197 . . . . 75.24 107.769 175.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.0 m -138.62 167.3 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.377 1.071 . . . . 70.44 109.741 169.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.4 p -121.32 -46.45 2.29 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.075 0.95 . . . . 73.35 109.739 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -82.87 159.15 22.44 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.212 0.53 . . . . 73.11 112.13 -172.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.32 -59.05 3.48 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.878 1.271 . . . . 61.13 110.719 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.37 -29.64 70.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.216 0.606 . . . . 73.1 110.979 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.518 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -68.68 -37.25 79.44 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 123.967 0.907 . . . . 74.23 110.189 176.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.41 ' O ' HG22 ' A' ' 117' ' ' VAL . . . -67.5 -46.99 71.29 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.061 0.144 . . . . 74.33 111.165 175.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.414 HD11 ' HE2' ' A' ' 17' ' ' LYS . 94.8 mt -58.27 -38.75 77.59 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.08 0.952 . . . . 74.25 111.894 -177.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.566 ' HZ2' ' HB2' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -72.22 -31.62 66.01 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.337 0.255 . . . . 75.51 111.155 -179.13 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.518 HG12 ' O ' ' A' ' 112' ' ' GLU . 49.1 mm -75.19 -31.02 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 122.639 0.375 . . . . 73.43 110.721 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 113' ' ' ALA . 98.9 t -58.77 -38.95 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 122.918 0.487 . . . . 72.0 109.707 170.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -72.73 -31.36 64.9 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.503 -0.771 . . . . 72.41 111.002 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.615 ' HB3' ' HZ3' ' A' ' 123' ' ' LYS . 64.2 mm-40 -65.16 -38.02 89.23 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.879 0.472 . . . . 74.33 110.923 173.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.421 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 20.1 m-85 -63.16 -25.52 68.39 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.486 0.715 . . . . 73.4 112.144 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.406 ' HE2' ' HG3' ' A' ' 25' ' ' GLN . 19.8 mmt -70.94 -29.49 65.53 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.814 0.446 . . . . 75.42 110.656 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -80.48 -35.83 34.24 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.176 0.59 . . . . 71.4 110.087 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.615 ' HZ3' ' HB3' ' A' ' 119' ' ' GLU . 53.8 mttp -71.42 -37.68 71.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.413 1.085 . . . . 74.32 110.899 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.438 ' HB1' HD12 ' A' ' 3' ' ' ILE . . . -76.37 -29.95 57.38 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.713 0.805 . . . . 75.33 110.18 174.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.58 -19.69 74.93 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-N 115.529 -0.759 . . . . 71.34 112.823 173.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.5 t -71.65 -29.17 64.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.238 0.615 . . . . 63.14 110.658 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 45.4 mt -78.81 -36.34 42.79 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.84 0.856 . . . . 72.33 110.527 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -75.0 -54.42 7.21 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.918 0.887 . . . . 73.43 110.08 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -92.52 41.83 1.08 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 114.799 -1.092 . . . . 73.41 109.092 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.25 125.9 23.85 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.325 -1.307 . . . . 75.12 111.197 174.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -62.94 121.45 13.56 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.658 -0.701 . . . . 72.45 109.821 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -54.12 -33.61 58.22 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.067 1.347 . . . . 75.44 111.611 -174.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -103.82 111.65 24.26 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 107.929 -1.137 . . . . 72.14 107.929 163.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 72.3 m80 . . . . . 0 C--O 1.25 1.111 0 C-N-CA 122.962 0.505 . . . . 71.44 109.869 -178.371 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 tpt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.289 -0.634 . . . . 75.24 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.497 ' HZ1' ' HB3' ' A' ' 52' ' ' GLU . 22.1 tttp -155.35 154.94 32.81 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.388 -0.967 . . . . 75.15 108.388 -177.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 53' ' ' LYS . 61.0 mt -118.68 107.58 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 108.521 -0.918 . . . . 74.32 108.521 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.3 mp -111.29 134.29 52.99 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.066 -0.716 . . . . 75.43 109.066 176.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.481 HG12 ' HB2' ' A' ' 79' ' ' PHE . 39.5 mt -114.79 115.3 49.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 108.15 -1.055 . . . . 70.44 108.15 171.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.467 ' HB3' HD21 ' A' ' 64' ' ' LEU . 80.3 mt -90.42 126.71 35.98 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.634 0.774 . . . . 71.51 109.039 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.4 mm -113.91 115.7 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 108.988 -0.745 . . . . 74.15 108.988 174.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -123.04 102.59 8.08 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.583 -0.895 . . . . 72.2 108.583 174.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 83' ' ' ALA . 14.9 t -130.61 148.14 52.37 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.965 -0.561 . . . . 75.13 110.602 173.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -64.69 -43.63 92.9 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.102 -0.954 . . . . 72.51 110.43 175.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -86.15 105.67 16.72 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.439 0.638 . . . . 73.42 111.124 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.16 -32.82 70.23 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.643 1.177 . . . . 73.25 112.462 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.45 -31.53 70.52 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.579 1.152 . . . . 74.13 112.248 -177.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.1 -44.33 89.16 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.584 0.753 . . . . 74.34 110.794 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.531 HG21 ' HG2' ' A' ' 57' ' ' LYS . 10.0 mt -65.08 -35.56 75.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 O-C-N 123.503 0.502 . . . . 73.13 110.077 -175.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -46.61 -42.2 15.76 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.918 0.887 . . . . 73.12 111.512 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -79.03 -39.36 34.21 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.615 -1.175 . . . . 73.03 111.203 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.94 -32.75 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 123.629 0.772 . . . . 74.24 110.743 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HG2' HG13 ' A' ' 29' ' ' VAL . 60.5 mtpt -66.98 -51.56 53.59 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.88 0.872 . . . . 64.21 109.415 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -57.81 -35.55 71.0 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.446 0.698 . . . . 75.34 111.222 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.93 -53.47 49.87 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.426 1.09 . . . . 74.24 111.005 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 55' ' ' LEU . 28.9 m -72.01 -26.45 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 111.96 0.355 . . . . 73.41 111.96 -175.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.03 -26.3 67.46 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.74 0.816 . . . . 74.24 111.513 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -60.08 -33.23 71.8 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.487 0.715 . . . . 74.0 110.683 171.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -95.39 10.42 36.4 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.876 0.87 . . . . 72.12 111.964 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.81 19.62 77.43 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.241 -0.436 . . . . 63.1 113.93 173.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -75.36 133.99 41.08 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.734 0.414 . . . . 74.11 110.068 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -79.18 122.31 26.12 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 108.081 -1.081 . . . . 71.05 108.081 175.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.541 HG13 ' HG2' ' A' ' 19' ' ' LYS . 13.3 t -101.59 143.64 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 118.167 0.44 . . . . 64.04 110.105 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -131.8 141.29 49.43 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.61 1.164 . . . . 75.32 108.807 173.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 20.1 m-20 -108.73 117.03 33.12 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.287 1.035 . . . . 71.11 108.753 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.39 132.42 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.351 1.06 . . . . 70.2 108.968 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -111.65 -51.79 2.83 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.88 0.872 . . . . 75.11 109.612 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -119.4 161.42 20.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.73 0.812 . . . . 75.32 111.964 -167.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 p -66.94 -29.49 69.37 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.689 1.596 . . . . 73.23 113.429 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.42 -40.18 89.4 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 110.256 -0.275 . . . . 62.4 110.256 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.63 -34.57 78.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.503 0.321 . . . . 75.03 110.486 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.537 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 52.3 tp -59.42 -54.25 48.78 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 124.189 0.931 . . . . 75.13 110.736 176.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.97 -33.8 76.65 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 111.457 0.169 . . . . 72.32 111.457 -177.026 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -64.16 -45.43 88.49 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.228 -0.442 . . . . 72.41 111.482 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 8.3 pt-20 -70.57 -32.7 70.2 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 110.016 -0.364 . . . . 74.32 110.016 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.581 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 85.4 mmm -65.96 -29.92 70.39 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.494 0.318 . . . . 75.3 111.586 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HD2' ' O ' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -60.6 -50.32 73.99 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 123.672 0.608 . . . . 74.21 109.494 168.55 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -63.47 -37.91 89.1 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 115.386 -0.824 . . . . 65.34 111.909 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 HD11 ' SD ' ' A' ' 42' ' ' MET . 80.1 mt -75.78 -30.31 59.07 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.013 0.925 . . . . 73.52 110.325 -177.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.61 -41.91 71.64 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.606 0.762 . . . . 73.51 111.06 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.65 -42.92 60.72 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.043 -0.98 . . . . 71.04 111.13 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -80.37 84.41 6.02 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.703 0.763 . . . . 74.13 110.374 -170.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -73.23 -10.63 59.97 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 114.299 -1.319 . . . . 75.44 111.728 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -56.55 130.51 45.4 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.491 1.117 . . . . 55.14 111.312 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -67.41 94.93 0.42 Allowed 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.471 1.107 . . . . 73.43 108.931 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.497 ' HB3' ' HZ1' ' A' ' 2' ' ' LYS . 40.7 tt0 -141.24 143.41 34.13 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.349 -0.841 . . . . 73.12 109.651 -172.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -103.87 114.27 28.41 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.837 -0.801 . . . . 71.1 108.837 -176.631 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.6 mt -122.3 127.37 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.388 0.675 . . . . 73.1 109.953 -176.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.622 HD12 HG11 ' A' ' 22' ' ' VAL . 14.5 tp -89.78 114.95 26.74 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.176 -1.046 . . . . 74.51 108.176 171.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.446 HG21 ' HE1' ' A' ' 67' ' ' MET . 45.3 mm -93.58 118.09 38.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 108.858 -0.793 . . . . 74.1 108.858 173.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.531 ' HG2' HG21 ' A' ' 15' ' ' ILE . 14.1 tmtt? -92.36 121.4 33.81 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 107.475 -1.306 . . . . 74.51 107.475 176.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.6 t -157.74 116.67 3.21 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.559 -0.534 . . . . 75.12 109.559 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -82.29 -15.5 52.75 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.544 0.738 . . . . 73.34 110.74 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -98.35 105.96 18.17 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.869 0.868 . . . . 74.21 109.957 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.447 ' HA ' HD11 ' A' ' 64' ' ' LEU . 25.1 pttm -61.13 -25.4 66.96 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.42 1.088 . . . . 75.23 113.708 -172.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.573 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 54.5 mt-30 -66.79 -36.08 81.57 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.052 0.541 . . . . 74.14 110.849 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.15 -40.47 93.96 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 115.169 -0.923 . . . . 75.44 110.655 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 6' ' ' LEU . 6.0 mp -69.58 -34.54 74.3 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.351 0.66 . . . . 55.44 111.252 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.573 ' HE3' ' HA ' ' A' ' 62' ' ' GLN . 8.8 mtmp? -63.85 -50.43 68.88 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 120.898 0.38 . . . . 73.25 110.253 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -69.16 -27.85 65.89 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.116 -0.947 . . . . 74.33 111.535 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.581 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 39.6 ttm -64.77 -49.33 71.17 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.372 -0.831 . . . . 74.33 109.734 174.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.05 -23.87 65.02 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.107 0.963 . . . . 75.45 112.08 -177.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.25 -44.77 92.36 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.72 0.772 . . . . 75.45 110.641 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.521 ' HB2' ' HE3' ' A' ' 42' ' ' MET . 41.8 mt -85.12 -28.51 25.52 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.551 -1.204 . . . . 75.15 111.194 -175.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.533 HG23 HG23 ' A' ' 78' ' ' VAL . 71.2 mt -67.94 -31.72 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.474 0.71 . . . . 73.53 109.65 172.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.5 t -63.02 -23.42 67.44 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.917 0.887 . . . . 74.11 111.461 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -77.9 -37.94 46.81 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.368 0.667 . . . . 75.3 110.207 175.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -78.07 -43.5 28.99 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.922 0.889 . . . . 73.52 111.411 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.85 73.5 1.07 Allowed Glycine 0 C--N 1.341 0.849 0 CA-C-N 115.788 -0.642 . . . . 75.35 113.706 174.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -146.2 175.7 10.3 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.42 0.688 . . . . 73.44 110.531 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -81.77 126.1 31.43 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.056 0.942 . . . . 75.35 111.301 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.533 HG23 HG23 ' A' ' 71' ' ' ILE . 76.3 t -126.03 136.02 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 114.885 -1.052 . . . . 75.53 109.317 174.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.481 ' HB2' HG12 ' A' ' 5' ' ' ILE . 89.3 m-85 -111.97 110.96 21.55 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 124.426 1.09 . . . . 73.1 108.423 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.8 tp -103.01 132.52 49.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 123.716 0.806 . . . . 71.55 109.663 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.454 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 26.5 tp -122.52 117.23 25.41 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.464 -0.939 . . . . 72.33 108.464 175.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 90' ' ' LEU . 77.7 mt -101.23 135.64 42.38 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.956 1.303 . . . . 74.33 107.896 176.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.513 ' HB2' ' HB ' ' A' ' 9' ' ' THR . . . -147.47 112.69 5.53 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.775 0.43 . . . . 74.55 110.41 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -171.16 146.19 2.35 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.775 -0.824 . . . . 64.22 108.775 178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -71.6 -28.26 63.69 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 124.066 0.854 . . . . 74.54 110.316 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.53 67.39 4.29 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 107.921 -1.14 . . . . 72.24 107.921 165.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -71.97 -22.81 61.39 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 113.954 -1.475 . . . . 75.34 112.122 -171.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -57.92 -36.03 71.9 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.496 1.118 . . . . 72.21 110.998 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.82 -52.51 63.86 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.905 -1.043 . . . . 71.21 110.843 172.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' ' 82' ' ' LEU . 82.3 mt -80.84 -13.32 59.05 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.36 -0.836 . . . . 73.4 112.188 -172.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -85.58 -21.37 28.53 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.909 0.884 . . . . 75.12 109.274 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -87.76 -40.82 13.76 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.164 0.585 . . . . 73.2 110.785 166.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -54.99 -45.08 74.98 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.562 1.145 . . . . 75.41 110.21 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 95' ' ' ARG . 15.5 ptpt -58.12 -39.13 77.91 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 124.121 0.888 . . . . 75.14 111.694 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.48 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 79.1 mtp180 -67.34 -32.85 74.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.336 0.654 . . . . 73.43 110.709 -173.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -74.77 -39.8 61.56 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.94 0.896 . . . . 73.41 110.462 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 102' ' ' TYR . 37.3 mm -75.76 -31.92 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.129 0.572 . . . . 73.32 110.981 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -71.13 -34.76 71.33 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.526 1.131 . . . . 74.34 108.808 175.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.8 t -66.76 -33.33 75.38 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.283 0.633 . . . . 74.51 110.331 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -76.13 -5.31 46.04 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.657 0.783 . . . . 71.54 111.636 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.99 29.18 32.16 Favored Glycine 0 C--N 1.351 1.395 0 C-N-CA 122.796 0.236 . . . . 43.15 113.44 172.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.513 ' HB2' HG23 ' A' ' 97' ' ' ILE . 90.3 m-85 -108.81 157.0 18.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.291 0.636 . . . . 74.13 109.771 175.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.82 121.36 25.29 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.425 -0.954 . . . . 75.11 108.425 172.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.7 p -140.59 135.97 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.682 0.793 . . . . 71.45 110.864 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -131.09 147.03 52.57 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.739 0.816 . . . . 73.1 109.698 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.527 ' HZ1' ' HB3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -112.62 134.08 54.33 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 108.162 -1.051 . . . . 72.1 108.162 177.601 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 28.7 m -133.78 171.78 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 125.316 1.446 . . . . 75.33 108.445 173.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.5 p -134.23 -23.81 1.67 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.553 0.741 . . . . 75.34 111.071 -175.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -113.05 162.56 15.76 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.187 0.518 . . . . 61.2 110.708 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.66 -57.32 5.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.269 -1.332 . . . . 72.02 111.204 -176.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.53 -27.77 69.39 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.543 -0.753 . . . . 74.21 111.712 -178.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -69.2 -44.95 71.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.241 1.016 . . . . 73.52 110.442 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.22 -43.9 95.64 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.447 -0.797 . . . . 51.5 111.124 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.24 -28.56 68.13 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.308 1.043 . . . . 65.5 112.174 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.29 -51.62 59.55 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.07 0.548 . . . . 64.3 109.577 172.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.41 ' HA ' ' HG2' ' A' ' 119' ' ' GLU . 28.7 mm -69.98 -29.75 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 114.626 -1.17 . . . . 74.14 111.87 -170.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.486 HG11 ' HE1' ' A' ' 121' ' ' MET . 99.5 t -56.67 -43.08 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.852 0.861 . . . . 73.42 110.182 173.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.01 -29.02 62.71 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.266 -0.879 . . . . 75.15 111.349 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' A' ' 116' ' ' ILE . 9.2 mm-40 -65.44 -46.96 77.82 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 109.769 -0.456 . . . . 72.01 109.769 176.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.454 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 26.1 m-85 -55.77 -36.91 67.85 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.616 0.766 . . . . 54.3 111.983 176.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.486 ' HE1' HG11 ' A' ' 117' ' ' VAL . 66.9 mtt -61.87 -34.05 75.3 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.103 0.877 . . . . 74.42 111.819 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -67.3 -47.84 69.41 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.968 0.907 . . . . 74.13 110.633 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -28.09 62.89 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 115.841 -0.618 . . . . 65.12 110.209 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.9 -25.09 58.68 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.633 0.773 . . . . 74.53 110.007 173.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -67.33 -35.01 86.96 Favored Glycine 0 C--N 1.356 1.644 0 O-C-N 123.672 0.607 . . . . 60.45 112.045 175.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.3 m -66.32 -20.08 65.99 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.233 0.613 . . . . 73.44 111.795 173.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.41 -40.36 15.45 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.714 0.806 . . . . 65.12 109.598 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -54.55 -56.01 23.34 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.359 1.063 . . . . 70.34 110.549 177.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -165.96 138.31 4.0 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 114.548 -1.205 . . . . 70.34 109.41 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 13.6 t60 66.27 86.43 0.13 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.551 1.14 . . . . 72.41 110.791 171.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -82.94 72.51 10.02 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.801 0.841 . . . . 74.2 109.376 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -70.59 133.15 46.46 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 114.644 -1.162 . . . . 75.21 109.485 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -66.97 90.25 0.18 Allowed 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.511 1.132 . . . . 64.31 108.486 176.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 55.2 t60 . . . . . 0 C--O 1.248 0.98 0 CA-C-N 115.541 -0.754 . . . . 74.03 109.16 -172.913 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.478 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 14.8 tpt . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.273 -0.64 . . . . 42.05 109.273 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.498 ' HZ3' HD23 ' A' ' 45' ' ' LEU . 11.2 ptpt -118.89 136.76 53.88 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.261 0.624 . . . . 74.14 110.215 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.533 HD13 ' HB1' ' A' ' 124' ' ' ALA . 70.0 mt -94.06 105.12 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.019 0.928 . . . . 64.43 109.169 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.438 HD11 ' HD3' ' A' ' 2' ' ' LYS . 11.1 mp -100.33 127.1 46.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.443 0.697 . . . . 75.35 110.198 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 60.2 mt -105.4 104.37 16.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 107.182 -1.414 . . . . 51.33 107.182 165.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.439 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -88.2 127.56 35.44 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.077 -1.083 . . . . 73.24 108.077 179.158 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.503 HG13 HG21 ' A' ' 18' ' ' ILE . 44.4 mm -122.35 121.94 65.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.77 0 C-N-CA 123.948 0.899 . . . . 75.33 109.508 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.637 ' HB2' HD21 ' A' ' 64' ' ' LEU . 33.7 t30 -126.48 101.25 6.6 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 107.954 -1.128 . . . . 65.04 107.954 170.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.525 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 2.7 t -130.87 139.49 50.13 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.386 -0.825 . . . . 72.02 109.282 171.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -75.67 -18.1 59.75 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 109.305 -0.628 . . . . 63.3 109.305 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -79.41 88.71 5.0 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.144 -1.428 . . . . 73.43 107.144 170.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.75 -21.96 65.25 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.381 0.672 . . . . 75.43 111.541 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -77.66 -29.26 51.49 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.057 0.943 . . . . 73.1 110.965 174.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.55 -30.54 70.87 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.014 0.526 . . . . 73.23 110.152 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.583 HG21 ' HG3' ' A' ' 57' ' ' LYS . 63.4 mt -59.95 -40.08 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 122.909 0.484 . . . . 44.15 110.275 173.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 14.6 mmmm -63.49 -31.32 72.45 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.697 0.623 . . . . 73.34 111.138 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.439 ' HE2' HD11 ' A' ' 114' ' ' LEU . 45.3 mtpt -75.62 -43.67 46.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.545 0.738 . . . . 65.22 110.51 177.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.503 HG21 HG13 ' A' ' 7' ' ' ILE . 84.5 mt -62.11 -30.61 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 114.823 -1.08 . . . . 74.11 110.205 175.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 25.0 mtpp -61.58 -51.25 69.3 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-O 118.371 -0.823 . . . . 64.24 109.257 171.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -52.94 -41.08 64.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 123.504 0.502 . . . . 62.44 111.02 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.5 -52.89 63.75 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.277 0.985 . . . . 61.32 110.903 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.648 HG11 HD13 ' A' ' 55' ' ' LEU . 14.1 m -78.88 -24.19 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 N-CA-C 112.755 0.65 . . . . 71.01 112.755 -173.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 64.6 mm-40 -69.29 -39.2 78.46 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.815 0.846 . . . . 75.23 109.497 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -67.21 -21.67 65.75 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.902 -1.045 . . . . 63.23 111.309 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -102.89 -0.27 31.41 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.799 0.84 . . . . 73.54 111.327 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.77 37.15 27.07 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 115.127 0.811 . . . . 73.53 115.127 171.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.513 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 7.8 m-85 -89.95 135.92 33.36 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.212 0.605 . . . . 73.45 109.908 174.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -82.28 115.02 21.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.865 0.866 . . . . 63.4 109.204 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.9 t -81.97 108.48 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.662 0.385 . . . . 43.24 110.516 -176.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -97.78 162.59 13.19 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.407 1.483 . . . . 64.53 109.205 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.57 123.23 8.57 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.262 0.553 . . . . 70.41 111.589 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.494 HG12 HD13 ' A' ' 63' ' ' LEU . 26.9 t -95.83 122.29 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.802 0.841 . . . . 65.32 109.467 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -103.24 -34.91 8.64 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.091 0.556 . . . . 73.05 111.838 -177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -147.72 170.28 17.9 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.343 0.657 . . . . 72.1 110.266 -169.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t -65.38 -37.37 86.81 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.155 0.982 . . . . 74.12 111.952 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.75 -46.65 84.39 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.735 0.814 . . . . 75.12 109.59 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.41 -37.59 84.04 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.946 -1.024 . . . . 72.34 110.59 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 67' ' ' MET . 67.9 tp -58.34 -56.67 19.03 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.82 0.848 . . . . 74.31 110.704 -177.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -32.36 73.9 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 123.848 0.718 . . . . 62.43 111.513 -176.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -58.01 -48.39 80.18 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.402 0.62 . . . . 72.32 111.65 172.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -75.55 -23.68 56.63 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.884 -1.053 . . . . 75.42 111.077 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.488 ' SD ' HD12 ' A' ' 45' ' ' LEU . 72.9 mmm -71.4 -31.71 67.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.148 0.579 . . . . 74.41 110.143 173.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -37.46 87.55 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 115.992 -0.549 . . . . 72.24 109.723 174.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -64.72 -36.75 85.31 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.525 0.516 . . . . 75.14 111.092 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.498 HD23 ' HZ3' ' A' ' 2' ' ' LYS . 76.6 mt -69.09 -28.04 66.14 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 122.781 0.432 . . . . 74.43 110.88 176.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.43 -40.35 30.13 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.683 0.793 . . . . 72.51 111.747 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -74.53 -52.52 11.66 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.988 0.915 . . . . 72.43 111.354 -175.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.411 ' O ' ' HE3' ' A' ' 2' ' ' LYS . 41.1 mt-10 -77.98 94.26 4.59 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.591 -0.732 . . . . 72.25 109.326 -177.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -93.02 -16.15 25.37 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.751 0.82 . . . . 74.04 110.058 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -62.25 147.97 46.32 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.838 0.855 . . . . 64.11 110.437 175.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.478 ' HA ' ' O ' ' A' ' 1' ' ' MET . 79.2 t80 -65.47 120.36 12.71 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.554 0.742 . . . . 74.2 110.477 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -154.94 145.93 22.63 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.441 0.639 . . . . 64.45 110.972 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -97.04 120.95 38.35 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.395 1.478 . . . . 75.21 108.808 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.7 mt -125.8 136.77 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.647 0.779 . . . . 74.33 109.953 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.648 HD13 HG11 ' A' ' 22' ' ' VAL . 24.0 tp -100.16 113.05 25.42 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.343 -0.984 . . . . 73.23 108.343 169.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.6 mm -92.65 110.43 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.221 -0.659 . . . . 73.31 109.221 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.583 ' HG3' HG21 ' A' ' 15' ' ' ILE . 6.3 tmtm? -93.87 119.16 32.43 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.639 0.776 . . . . 63.44 108.955 174.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.5 t -156.94 118.41 3.75 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.384 -0.969 . . . . 61.51 108.384 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -94.73 8.46 42.44 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.235 1.014 . . . . 65.31 111.318 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.43 ' HB3' HD12 ' A' ' 63' ' ' LEU . 28.8 t70 -108.9 101.9 10.96 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.79 -0.819 . . . . 74.53 108.79 173.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -18.78 49.9 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 113.887 1.069 . . . . 53.13 113.887 -174.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -69.91 -46.35 65.6 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.746 -0.465 . . . . 74.54 109.746 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.494 HD13 HG12 ' A' ' 32' ' ' VAL . 83.4 mt -55.69 -35.62 66.26 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 124.002 0.814 . . . . 65.3 111.288 176.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 8' ' ' ASN . 11.2 mp -64.24 -53.25 52.1 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.827 0.851 . . . . 74.0 111.496 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -60.88 -47.18 87.56 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.925 0.766 . . . . 75.13 109.981 -174.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.05 -37.13 86.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.89 -1.05 . . . . 73.41 111.317 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.426 ' HB2' HD11 ' A' ' 38' ' ' LEU . 33.9 ttm -59.28 -51.84 68.24 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.056 0.942 . . . . 73.42 110.276 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 71' ' ' ILE . 96.2 mt -66.28 -32.44 73.85 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.362 1.039 . . . . 63.41 111.793 -175.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.57 -30.57 70.22 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.232 0.613 . . . . 73.41 111.058 175.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.8 mt -84.58 -26.8 27.71 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.09 0.556 . . . . 54.15 111.31 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.542 HD12 HD23 ' A' ' 68' ' ' LEU . 58.7 mt -69.74 -22.63 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.625 0.77 . . . . 63.5 109.987 173.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.4 m -60.65 -20.6 61.25 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.566 0.746 . . . . 64.25 112.023 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.73 -28.83 40.47 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.753 0.821 . . . . 74.34 111.057 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.1 mt -85.62 -48.33 8.99 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.848 0.859 . . . . 64.13 110.707 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.4 80.67 0.77 Allowed Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.936 -0.575 . . . . 63.43 113.544 173.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -152.29 167.07 29.83 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.183 0.593 . . . . 61.13 110.89 172.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -73.57 111.19 8.48 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.009 -0.996 . . . . 71.32 110.125 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.0 t -108.5 139.95 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.782 -0.822 . . . . 73.11 108.782 172.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' HA ' ' HB3' ' A' ' 103' ' ' GLU . 94.0 m-85 -103.91 146.96 27.9 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.629 1.172 . . . . 63.22 107.974 176.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' A' ' 6' ' ' LEU . 28.9 tp -142.28 139.27 31.83 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.874 0.47 . . . . 73.12 110.053 176.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.9 tp -129.66 134.95 47.96 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.405 1.082 . . . . 73.3 109.118 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.52 ' HB3' HD22 ' A' ' 90' ' ' LEU . 80.9 mt -121.42 110.36 15.98 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.51 1.124 . . . . 73.25 108.425 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.525 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -126.32 110.92 13.93 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 121.307 0.575 . . . . 61.13 111.109 -178.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.543 ' HB3' HD11 ' A' ' 90' ' ' LEU . 20.8 t70 -170.78 153.7 4.1 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.246 0.618 . . . . 74.31 109.866 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -71.36 -24.18 62.04 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.921 0.889 . . . . 71.5 111.172 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -86.61 68.87 10.29 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 107.133 -1.432 . . . . 55.31 107.133 167.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.533 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -72.1 -14.05 61.74 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 114.333 -1.303 . . . . 73.32 111.248 178.515 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -57.87 -53.7 55.27 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.654 1.181 . . . . 64.22 110.681 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -72.62 -27.9 62.43 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.086 0.241 . . . . 75.23 111.606 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 84' ' ' ASP . 79.8 mt -68.65 -36.68 78.9 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.826 0.45 . . . . 71.55 110.44 175.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 10.1 tp10 -70.45 -29.56 66.16 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 123.758 0.661 . . . . 74.24 110.094 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -39.2 39.63 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.205 0.602 . . . . 72.25 109.555 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -68.5 -41.18 80.42 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.865 -0.607 . . . . 71.34 111.895 -177.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -24.81 67.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.592 0.357 . . . . 63.32 111.373 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 2.2 mmp_? -62.25 -39.48 93.0 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 123.724 0.809 . . . . 53.35 111.426 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.419 ' HD2' ' H ' ' A' ' 96' ' ' LYS . 2.4 mptp? -68.76 -51.33 42.37 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 109.681 -0.489 . . . . 74.12 109.681 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.492 HD12 HD12 ' A' ' 68' ' ' LEU . 35.1 mm -63.94 -39.46 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 114.578 -1.192 . . . . 63.25 111.352 -170.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -69.79 -32.62 71.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.242 1.017 . . . . 72.21 110.352 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.8 m -76.25 -27.64 56.8 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.369 0.668 . . . . 73.14 111.288 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -73.5 -13.57 61.07 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.51 0.724 . . . . 62.14 110.81 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.55 31.44 21.7 Favored Glycine 0 C--N 1.346 1.13 0 O-C-N 123.261 0.351 . . . . 73.24 112.34 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -112.51 145.63 39.91 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.329 0.652 . . . . 75.55 109.992 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.561 ' HB3' ' HA ' ' A' ' 79' ' ' PHE . 8.4 tp10 -68.17 119.95 13.57 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 115.34 -0.846 . . . . 71.43 108.928 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.7 p -138.99 133.89 41.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 O-C-N 123.705 0.628 . . . . 74.35 109.413 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -130.12 119.54 23.18 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.621 0.769 . . . . 74.44 109.221 -174.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.533 ' HE3' ' HB2' ' A' ' 87' ' ' GLU . 1.5 tmtp? -94.87 120.32 34.9 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.032 0.933 . . . . 75.31 108.77 -177.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -139.0 -174.88 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.768 1.227 . . . . 70.02 109.125 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.7 p -139.53 -54.55 0.56 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.236 1.015 . . . . 60.13 109.889 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -73.89 158.37 34.59 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.411 -1.268 . . . . 63.41 112.007 -166.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.04 -59.6 5.21 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.795 1.238 . . . . 73.31 111.577 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.03 -23.96 48.01 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.244 0.218 . . . . 71.11 110.719 -174.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.452 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.7 tt0 -66.27 -34.35 77.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.376 0.67 . . . . 71.34 110.256 174.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.49 -50.06 35.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.836 0.454 . . . . 62.43 110.956 173.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.439 HD11 ' HE2' ' A' ' 17' ' ' LYS . 96.0 mt -58.52 -36.77 74.35 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.845 0.858 . . . . 75.44 112.529 -175.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -65.98 -37.05 84.97 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 123.433 0.458 . . . . 72.12 110.748 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 112' ' ' GLU . 20.4 mm -72.02 -30.14 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 O-C-N 123.472 0.482 . . . . 64.14 110.306 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.35 -43.38 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.291 0.636 . . . . 72.13 110.07 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -65.72 -30.58 71.27 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.498 -0.774 . . . . 74.03 110.465 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.424 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 37.9 mt-10 -70.84 -41.44 71.48 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 123.38 0.672 . . . . 72.54 111.167 174.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -55.23 -24.23 26.54 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 118.386 0.539 . . . . 73.05 112.037 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 18.7 mmt -68.42 -49.6 58.8 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.533 0.733 . . . . 72.52 110.373 174.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 19.1 pt20 -77.25 -23.15 51.3 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.132 0.573 . . . . 75.21 111.44 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 6.1 mptp? -70.33 -42.83 71.42 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.798 0.839 . . . . 55.12 108.768 172.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.533 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -67.22 -13.59 62.11 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.376 -0.829 . . . . 35.03 111.697 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.78 -29.11 71.31 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.453 0.47 . . . . 52.43 113.452 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.0 p -73.84 -29.45 62.13 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.678 0.391 . . . . 64.05 110.171 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.3 mt . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 124.073 0.949 . . . . 75.33 109.694 176.688 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.715 ' HG2' ' HB3' ' A' ' 127' ' ' LEU . 56.5 tpp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.457 -0.571 . . . . 74.21 109.457 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.516 ' HD3' HD22 ' A' ' 45' ' ' LEU . 24.1 ttmm -88.9 115.62 26.59 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.319 -0.993 . . . . 64.24 108.319 175.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.552 HD13 ' HB1' ' A' ' 124' ' ' ALA . 66.2 mt -95.63 105.76 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.501 0.72 . . . . 72.52 110.012 -173.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.2 mp -103.17 144.4 31.37 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.482 -0.562 . . . . 71.03 109.482 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.0 mt -122.6 112.31 33.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 107.394 -1.335 . . . . 55.24 107.394 166.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.529 HD21 ' SD ' ' A' ' 67' ' ' MET . 87.5 mt -88.4 121.52 30.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 108.678 -0.86 . . . . 74.43 108.678 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -111.11 115.25 49.38 Favored 'Isoleucine or valine' 0 C--O 1.245 0.867 0 N-CA-C 108.421 -0.955 . . . . 73.13 108.421 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -126.33 101.07 6.56 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 106.964 -1.495 . . . . 72.22 106.964 170.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.584 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.8 t -130.43 144.87 51.67 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 115.007 -0.997 . . . . 72.22 109.874 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -66.0 -37.78 86.81 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.452 -0.795 . . . . 52.23 109.076 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 49.9 t30 -82.96 94.1 7.67 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.014 0.926 . . . . 74.13 109.647 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.23 -21.51 62.11 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.707 0.803 . . . . 63.33 111.846 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -62.21 -34.88 77.31 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.561 0.744 . . . . 73.52 110.459 174.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' A' ' 11' ' ' ASN . 31.2 tp -62.38 -35.17 78.33 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.328 1.051 . . . . 53.12 112.003 173.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.569 HD13 ' HG2' ' A' ' 57' ' ' LYS . 54.8 mt -65.81 -32.5 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 122.971 0.509 . . . . 61.52 111.208 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -59.53 -36.99 77.2 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.475 0.655 . . . . 74.1 109.859 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.532 ' HE2' HD11 ' A' ' 114' ' ' LEU . 39.7 mtpt -71.96 -48.93 41.58 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.123 -1.398 . . . . 73.14 109.91 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.92 -30.91 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.36 1.064 . . . . 65.53 111.041 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.543 ' HE3' HG11 ' A' ' 29' ' ' VAL . 59.1 mtpt -62.92 -47.67 82.26 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.957 0.503 . . . . 74.43 110.521 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -65.49 -33.08 75.09 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.195 0.198 . . . . 74.43 111.283 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -60.78 -44.14 97.17 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.395 0.678 . . . . 55.33 111.425 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.703 HG11 HD13 ' A' ' 55' ' ' LEU . 16.8 m -81.9 -26.87 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 112.015 0.376 . . . . 63.14 112.015 -177.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.0 -27.41 65.66 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.467 0.707 . . . . 70.31 110.57 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -55.13 -36.88 66.24 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.653 0.781 . . . . 75.11 110.827 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -108.99 7.5 25.89 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.824 0.85 . . . . 74.03 112.239 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.31 38.69 62.65 Favored Glycine 0 C--N 1.347 1.166 0 N-CA-C 115.034 0.774 . . . . 72.21 115.034 171.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.542 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 9.0 m-85 -78.82 150.59 32.27 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 117.148 0.474 . . . . 73.01 110.298 171.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -87.22 113.18 22.72 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.193 0.997 . . . . 63.34 109.226 177.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.543 HG11 ' HE3' ' A' ' 19' ' ' LYS . 57.9 t -78.17 102.03 4.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 109.273 -0.64 . . . . 75.33 109.273 177.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.717 HH22 HD21 ' A' ' 45' ' ' LEU . 48.9 ttp180 -118.69 132.02 56.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.731 0.812 . . . . 75.54 108.967 172.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -111.37 139.42 46.79 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.224 0.61 . . . . 74.51 110.694 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 63' ' ' LEU . 74.7 t -126.67 112.25 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.986 1.314 . . . . 73.14 107.994 174.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -113.75 -5.05 13.32 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.779 0.432 . . . . 73.22 112.051 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -136.61 157.56 46.49 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.844 0.858 . . . . 72.14 110.172 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 m -65.36 -36.2 83.28 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.372 1.069 . . . . 72.24 112.548 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.59 -47.18 86.65 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 123.628 0.58 . . . . 65.14 109.693 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.79 -32.87 74.13 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.835 -1.075 . . . . 62.23 110.684 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 67' ' ' MET . 32.1 tp -62.7 -61.22 2.57 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 124.021 0.826 . . . . 61.33 111.086 177.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.74 -26.7 67.86 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 123.345 0.403 . . . . 62.5 111.748 -174.01 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -60.78 -55.14 36.61 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.128 0.571 . . . . 72.23 111.089 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.51 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -74.49 -26.03 59.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.2 0.6 . . . . 70.4 111.11 -177.799 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.7 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -63.9 -39.22 93.68 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.324 0.65 . . . . 64.14 110.95 177.2 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.6 mmtp -66.73 -34.88 78.81 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 123.455 0.472 . . . . 73.41 110.643 175.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -62.88 -35.59 80.51 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.567 0.347 . . . . 74.24 111.343 176.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.717 HD21 HH22 ' A' ' 30' ' ' ARG . 44.5 mt -76.67 -32.15 57.74 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.442 0.697 . . . . 71.15 110.753 179.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.95 -36.69 41.2 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.654 0.782 . . . . 43.33 111.953 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.23 -40.38 52.23 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.047 0.939 . . . . 70.53 110.559 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -123.52 78.05 1.56 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.634 0.774 . . . . 72.43 109.29 -176.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -82.34 72.04 9.4 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 108.458 -0.941 . . . . 62.31 108.458 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -107.72 166.36 10.74 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.389 1.076 . . . . 65.42 109.989 -176.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -66.67 105.66 1.61 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.648 -0.871 . . . . 71.51 108.648 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -151.89 127.22 9.92 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.091 0.556 . . . . 73.24 109.803 -174.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -96.22 120.67 36.93 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.949 0.9 . . . . 53.54 109.245 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.6 mt -130.44 130.85 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.55 0.74 . . . . 75.0 109.553 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.703 HD13 HG11 ' A' ' 22' ' ' VAL . 25.1 tp -93.92 120.19 33.84 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.792 -1.188 . . . . 63.41 107.792 165.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 45.4 mm -100.65 124.05 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.801 0.44 . . . . 75.33 110.349 175.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.569 ' HG2' HD13 ' A' ' 15' ' ' ILE . 5.8 tmtm? -99.58 122.81 43.16 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.793 -1.188 . . . . 74.33 107.793 171.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.518 ' HB3' HD11 ' A' ' 64' ' ' LEU . 47.9 t -146.55 135.95 22.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.663 0.385 . . . . 61.14 110.076 177.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -83.28 -41.04 18.77 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.321 0.649 . . . . 70.4 110.184 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.68 133.99 34.37 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.292 0.637 . . . . 65.1 110.265 -175.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -73.44 -32.36 64.33 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.341 1.056 . . . . 72.23 111.462 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -73.84 -25.92 60.32 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.086 0.555 . . . . 64.54 110.764 -169.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.52 HD13 HG12 ' A' ' 32' ' ' VAL . 87.8 mt -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.482 0.713 . . . . 72.11 110.84 172.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.4 mp -67.49 -34.87 78.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.798 0.839 . . . . 54.41 110.621 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -58.36 -58.82 6.82 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.663 0.602 . . . . 55.52 110.635 174.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.473 ' HB2' HD21 ' A' ' 38' ' ' LEU . 31.6 mt-10 -59.83 -40.89 90.01 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.184 0.928 . . . . 73.31 111.419 -175.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.7 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 55.2 ttm -58.37 -54.06 51.24 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.512 1.133 . . . . 71.31 110.814 -178.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.557 HD12 HD12 ' A' ' 97' ' ' ILE . 96.0 mt -68.85 -25.44 64.64 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.46 0.704 . . . . 72.03 112.626 -176.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -77.36 -22.18 52.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.086 0.555 . . . . 72.54 111.243 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.455 HD12 ' SD ' ' A' ' 42' ' ' MET . 97.2 mt -85.55 -33.18 21.8 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.214 0.606 . . . . 62.45 111.031 169.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.4 mt -71.15 -27.66 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.809 0.844 . . . . 73.25 110.727 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.7 p -64.88 -25.11 67.75 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.114 0.566 . . . . 62.31 111.702 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -77.53 -28.1 51.86 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.718 0.807 . . . . 44.22 111.131 174.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.8 mt -86.1 -38.91 17.28 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.884 0.873 . . . . 62.4 111.196 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.81 84.25 0.34 Allowed Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.55 -0.75 . . . . 70.53 113.723 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -159.72 152.0 20.92 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.141 0.977 . . . . 54.33 109.827 166.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.426 ' HD3' HD21 ' A' ' 127' ' ' LEU . 83.8 tttt -80.51 133.85 35.87 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.939 0.4 . . . . 74.11 111.518 -173.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.7 t -121.01 141.16 42.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 124.197 0.999 . . . . 62.12 109.424 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.505 ' HA ' ' HB3' ' A' ' 103' ' ' GLU . 91.5 m-85 -105.11 115.48 30.34 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.734 1.214 . . . . 73.14 109.266 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.0 tp -100.47 141.28 33.54 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.909 0.484 . . . . 74.23 110.003 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 116' ' ' ILE . 51.6 tp -132.41 117.46 18.11 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.439 1.096 . . . . 71.23 108.875 172.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.487 ' HB3' HD22 ' A' ' 90' ' ' LEU . 74.3 mt -104.67 121.97 44.69 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.877 1.271 . . . . 74.34 108.325 177.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.584 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -128.6 110.97 12.72 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 118.77 0.714 . . . . 71.02 111.249 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -167.42 147.52 5.29 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.069 0.548 . . . . 65.3 109.749 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -68.76 -38.29 79.98 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 123.911 0.757 . . . . 62.0 110.505 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -80.34 80.59 6.76 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 122.487 1.137 . . . . 71.14 108.643 171.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.444 ' CB ' ' HE3' ' A' ' 106' ' ' LYS . 12.0 pt-20 -75.78 -13.35 60.29 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 114.027 -1.442 . . . . 63.3 112.056 -177.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -56.3 -36.85 69.13 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.716 0.806 . . . . 71.2 110.508 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.41 -49.75 68.07 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.114 -0.948 . . . . 74.31 111.099 172.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 82' ' ' LEU . 41.0 mt -70.61 -19.22 62.86 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.327 -0.851 . . . . 73.42 111.686 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.62 -41.76 62.38 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 123.829 0.852 . . . . 72.14 110.656 -174.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -68.98 -43.74 74.29 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.382 -0.372 . . . . 60.43 110.379 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.431 ' HD2' HD11 ' A' ' 82' ' ' LEU . 32.7 t80 -61.82 -45.01 95.66 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.261 -0.881 . . . . 71.31 111.375 -172.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.531 ' HA ' HG21 ' A' ' 104' ' ' VAL . 19.4 ptpt -60.67 -34.62 74.6 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.089 0.556 . . . . 74.54 111.746 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -72.14 -31.99 66.5 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.326 0.65 . . . . 74.34 111.352 -175.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 13.7 mptt -68.07 -49.14 63.16 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.95 0.5 . . . . 72.42 110.015 174.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.557 HD12 HD12 ' A' ' 68' ' ' LEU . 37.9 mm -67.84 -37.64 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.738 0.815 . . . . 54.4 111.422 -175.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.19 -37.97 89.39 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.164 -0.926 . . . . 73.0 110.386 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -72.35 -31.05 65.28 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.288 0.635 . . . . 62.2 110.758 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 97.0 mt-30 -71.74 -11.08 60.65 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.434 0.694 . . . . 73.53 111.195 175.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.47 15.53 52.82 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 116.439 -0.346 . . . . 31.54 113.167 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -99.99 156.58 17.08 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.089 0.556 . . . . 74.44 110.797 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.505 ' HB3' ' HA ' ' A' ' 79' ' ' PHE . 8.3 tp10 -72.87 130.25 40.0 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.935 -1.03 . . . . 74.41 108.39 176.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.531 HG21 ' HA ' ' A' ' 94' ' ' LYS . 7.6 p -138.77 122.46 19.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 CA-C-O 121.617 0.722 . . . . 72.44 110.135 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -117.51 136.78 53.0 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.322 1.049 . . . . 75.44 108.546 173.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.444 ' HE3' ' CB ' ' A' ' 87' ' ' GLU . 11.1 tmtt? -111.28 143.16 42.49 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.485 -0.931 . . . . 70.45 108.485 173.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.9 m -144.82 174.71 3.27 Favored 'Isoleucine or valine' 0 C--O 1.245 0.835 0 C-N-CA 125.317 1.447 . . . . 51.54 108.946 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.7 p -129.3 -45.26 1.23 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.659 0.784 . . . . 72.4 109.669 174.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.99 162.28 22.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.386 0.674 . . . . 64.42 111.392 -176.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.453 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 11.3 p-10 -74.17 -49.98 21.27 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 114.661 -1.154 . . . . 72.23 110.813 -176.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -29.77 68.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.731 0.412 . . . . 72.41 111.095 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.493 ' O ' HG12 ' A' ' 116' ' ' ILE . 51.0 tt0 -67.35 -39.92 85.79 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 124.27 0.981 . . . . 62.14 110.067 176.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.89 -46.45 84.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.932 0.493 . . . . 72.04 111.298 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.532 HD11 ' HE2' ' A' ' 17' ' ' LYS . 98.3 mt -61.58 -42.35 98.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.534 -0.757 . . . . 64.4 111.803 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 14.6 ptmm? -69.14 -24.98 64.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.72 0.408 . . . . 72.53 110.939 -175.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.575 HG21 HD13 ' A' ' 81' ' ' LEU . 37.5 mm -70.67 -45.66 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.382 0.673 . . . . 73.3 110.13 172.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.92 -34.45 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.587 0.755 . . . . 63.13 110.515 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -67.02 -35.92 80.98 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.912 0.885 . . . . 75.42 110.648 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.456 ' HB3' ' NZ ' ' A' ' 123' ' ' LYS . 61.7 mt-10 -75.35 -33.82 61.12 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.884 0.474 . . . . 74.11 111.409 174.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -59.07 -28.25 66.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.708 0.803 . . . . 74.53 111.499 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.633 ' HE3' ' HA ' ' A' ' 22' ' ' VAL . 21.1 mmt -63.29 -42.97 99.13 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.015 0.822 . . . . 71.34 110.96 175.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -78.83 -35.8 43.5 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.871 -0.604 . . . . 71.43 110.162 -172.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.456 ' NZ ' ' HB3' ' A' ' 119' ' ' GLU . 59.8 mttp -65.01 -39.28 93.19 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 114.754 -1.112 . . . . 74.21 110.956 173.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.552 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -71.15 -30.89 67.03 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.62 0.768 . . . . 72.22 111.247 176.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -67.11 -29.66 74.78 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.73 -0.668 . . . . 72.33 112.003 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.6 m -72.36 -28.29 62.94 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.496 0.718 . . . . 65.01 111.328 175.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.715 ' HB3' ' HG2' ' A' ' 1' ' ' MET . 61.4 mt . . . . . 0 N--CA 1.483 1.185 0 C-N-CA 123.404 0.682 . . . . 43.22 111.693 177.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.291 -0.633 . . . . 75.31 109.291 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -144.86 161.88 38.2 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.048 0.452 . . . . 62.13 110.875 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.585 HD12 ' HG2' ' A' ' 53' ' ' LYS . 84.0 mt -97.31 120.96 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.365 1.066 . . . . 74.24 109.506 -177.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.512 ' HB2' HG22 ' A' ' 78' ' ' VAL . 10.3 mp -120.53 123.77 43.73 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.357 -0.979 . . . . 52.43 108.357 169.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.418 ' HB ' HD12 ' A' ' 55' ' ' LEU . 50.6 mt -117.12 114.56 46.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 107.362 -1.347 . . . . 70.4 107.362 172.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.648 ' HB3' HD23 ' A' ' 64' ' ' LEU . 82.4 mt -88.99 139.08 30.81 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 108.923 -0.769 . . . . 60.21 108.923 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -128.58 115.93 39.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 123.807 0.843 . . . . 71.35 108.976 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.442 ' HB3' HD23 ' A' ' 82' ' ' LEU . 28.0 t-20 -125.5 99.49 6.05 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 107.04 -1.467 . . . . 64.31 107.04 171.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -130.22 138.04 50.35 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.32 0.648 . . . . 64.31 109.689 173.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -80.0 -14.4 58.59 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.819 0.847 . . . . 65.01 110.178 174.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -74.56 103.58 4.93 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 107.441 -1.318 . . . . 74.52 107.441 171.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.84 -53.48 55.32 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.352 0.661 . . . . 61.23 112.151 -170.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -77.77 -16.32 58.47 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.961 0.356 . . . . 73.43 111.961 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 32.6 tp -61.44 -37.46 83.62 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.996 -0.372 . . . . 74.3 109.996 170.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 92.3 mt -51.95 -52.01 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 124.067 0.855 . . . . 74.25 110.156 172.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -56.65 -41.25 76.87 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.317 1.047 . . . . 72.0 111.644 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' A' ' 14' ' ' LEU . 54.8 mtpt -67.39 -39.8 85.61 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.285 -0.87 . . . . 74.44 111.417 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.436 HG12 HG21 ' A' ' 117' ' ' VAL . 82.2 mt -70.34 -34.78 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.946 0.898 . . . . 70.04 110.275 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.484 ' HG2' HG11 ' A' ' 29' ' ' VAL . 62.1 mtpt -63.33 -51.8 64.45 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.145 0.578 . . . . 64.12 109.646 176.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -62.6 -32.91 74.0 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.841 0.456 . . . . 63.0 111.508 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.5 -46.39 88.66 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 123.861 0.726 . . . . 72.23 111.292 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.651 HG11 HD13 ' A' ' 55' ' ' LEU . 24.3 m -81.06 -24.85 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 115.941 -0.572 . . . . 73.41 111.304 -178.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 38.3 mt-10 -63.31 -29.06 70.44 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.361 0.664 . . . . 65.43 110.666 174.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -56.25 -29.2 60.75 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.046 0.939 . . . . 73.31 112.287 174.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -112.95 15.71 19.61 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.57 0.748 . . . . 74.41 111.597 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.59 37.91 85.6 Favored Glycine 0 C--N 1.347 1.165 0 O-C-N 123.452 0.47 . . . . 72.14 114.065 173.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -77.67 141.13 39.58 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.871 -0.418 . . . . 74.1 109.871 171.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -87.47 113.59 23.31 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.398 -0.964 . . . . 64.43 108.398 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.484 HG11 ' HG2' ' A' ' 19' ' ' LYS . 42.0 t -86.61 140.34 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.597 -0.519 . . . . 72.4 109.597 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -120.0 138.56 53.42 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.786 0.834 . . . . 75.52 108.924 172.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -105.29 112.04 25.0 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 107.887 -1.153 . . . . 60.3 107.887 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 58' ' ' SER . 97.9 t -106.64 120.58 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.92 -0.77 . . . . 72.43 108.92 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -108.41 -60.19 1.76 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.766 0.826 . . . . 70.0 109.877 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -94.23 167.78 11.33 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.328 1.051 . . . . 71.31 111.645 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.1 m -66.68 -29.92 70.04 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.149 -0.932 . . . . 63.31 110.162 167.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.449 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 32.7 t70 -61.12 -53.09 61.41 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.504 0.722 . . . . 75.33 109.637 170.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.71 -33.81 66.84 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.841 0.857 . . . . 75.44 112.074 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.41 -61.81 2.19 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.334 -0.848 . . . . 73.23 110.596 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.578 ' HA ' ' HB2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -70.82 -25.59 62.92 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 112.963 0.727 . . . . 73.31 112.963 -171.808 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -52.78 -52.67 55.77 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.93 0.871 . . . . 72.33 109.901 171.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 35.6 mm-40 -84.41 -15.88 44.68 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 114.331 -1.304 . . . . 75.1 112.51 -178.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.744 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -65.69 -33.45 75.91 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 118.108 0.413 . . . . 73.15 111.376 172.074 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.93 -40.18 75.88 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.337 0.398 . . . . 74.31 110.526 168.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -65.8 -52.61 49.29 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.394 0.616 . . . . 70.02 109.934 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.5 HD22 HD21 ' A' ' 4' ' ' LEU . 72.4 mt -68.0 -20.76 65.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.529 -0.759 . . . . 64.24 111.916 -173.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.43 -51.46 6.2 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.001 0.52 . . . . 61.11 111.872 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -81.3 -50.85 9.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.486 0.714 . . . . 72.43 111.552 -173.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -71.53 113.64 8.77 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.607 -0.516 . . . . 71.2 109.607 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -114.29 -4.91 12.97 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.343 0.657 . . . . 72.33 111.484 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -64.86 150.68 47.26 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.886 0.474 . . . . 74.41 110.619 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.76 98.46 0.19 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 123.815 0.697 . . . . 75.12 110.753 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -127.46 137.55 52.72 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.59 -0.732 . . . . 61.15 109.466 173.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.585 ' HG2' HD12 ' A' ' 3' ' ' ILE . 26.9 mtmm -90.8 101.8 14.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.688 -1.142 . . . . 74.34 108.074 178.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 mt -116.08 128.81 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.141 0.577 . . . . 74.12 110.191 -174.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.651 HD13 HG11 ' A' ' 22' ' ' VAL . 14.4 tp -102.11 108.28 19.64 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 107.788 -1.19 . . . . 61.24 107.788 168.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.469 ' HB ' HD23 ' A' ' 6' ' ' LEU . 23.1 mm -92.08 120.55 41.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 108.805 -0.813 . . . . 61.14 108.805 174.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -103.86 139.95 38.34 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.098 0.959 . . . . 71.1 108.617 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.524 ' HB2' ' HB ' ' A' ' 32' ' ' VAL . 44.3 t -164.6 137.37 4.79 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.866 0.729 . . . . 54.34 109.65 173.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.66 -34.9 34.48 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.301 1.04 . . . . 71.33 111.544 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -87.55 104.8 16.83 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.014 -0.539 . . . . 73.14 109.93 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.575 ' HA ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -57.65 -20.6 34.61 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.499 0.72 . . . . 71.13 112.676 -178.662 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -58.15 -50.78 72.3 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 123.118 0.567 . . . . 54.51 109.808 174.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.56 -40.46 87.39 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.375 1.07 . . . . 65.32 111.557 -175.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.648 HD23 ' HB3' ' A' ' 6' ' ' LEU . 6.0 mp -66.0 -39.78 90.57 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.531 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 57.4 tttp -67.94 -47.86 67.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.745 0.418 . . . . 75.23 110.743 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -60.26 -30.37 69.39 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.981 0.912 . . . . 64.24 111.13 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.744 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 34.1 ttm -64.88 -49.31 70.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.829 -1.078 . . . . 74.1 109.936 174.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.477 HD23 HD12 ' A' ' 71' ' ' ILE . 95.8 mt -67.59 -24.23 65.47 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.506 1.122 . . . . 75.3 112.496 -176.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 17.4 mm-40 -60.62 -38.08 83.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.137 0.575 . . . . 72.11 110.347 176.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.688 HD12 ' SD ' ' A' ' 42' ' ' MET . 60.1 mt -80.89 -41.83 22.45 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.397 -0.82 . . . . 72.13 110.442 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.623 ' HA ' HD12 ' A' ' 74' ' ' LEU . 68.7 mt -60.77 -33.11 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 124.133 0.973 . . . . 64.52 112.374 -175.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.9 p -49.73 -54.35 19.4 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.467 1.107 . . . . 72.01 112.424 -175.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -86.39 -8.42 57.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.854 -0.612 . . . . 75.54 112.093 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 71' ' ' ILE . 87.7 mt -69.49 -48.05 61.89 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 108.603 -0.888 . . . . 74.42 108.603 168.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.01 77.02 1.26 Allowed Glycine 0 C--N 1.347 1.146 0 CA-C-N 115.166 -0.925 . . . . 71.4 113.943 171.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -156.7 160.13 39.03 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.868 0.867 . . . . 63.12 109.495 169.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -75.46 122.49 23.91 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.484 -0.78 . . . . 71.33 110.924 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.55 HG21 HG21 ' A' ' 71' ' ' ILE . 60.7 t -124.31 143.56 37.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 123.501 0.721 . . . . 44.0 109.241 173.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -109.56 161.1 15.68 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.318 1.447 . . . . 65.1 108.187 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.4 tp -148.61 132.39 16.98 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.039 0.535 . . . . 71.35 110.354 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.533 HD21 ' HB1' ' A' ' 113' ' ' ALA . 35.2 tp -114.74 123.36 49.06 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.084 0.953 . . . . 73.21 109.218 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.554 ' HB3' HD22 ' A' ' 90' ' ' LEU . 97.0 mt -112.0 114.37 27.22 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.127 0.971 . . . . 65.33 108.543 176.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.1 110.77 10.93 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 118.133 0.424 . . . . 65.01 110.807 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.491 ' HB3' HD11 ' A' ' 90' ' ' LEU . 17.0 t0 -165.79 152.55 9.85 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.778 0.831 . . . . 62.15 109.079 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.29 -30.57 71.44 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.826 1.25 . . . . 75.22 110.967 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -82.63 81.14 8.54 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.175 -1.417 . . . . 74.44 107.175 167.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.74 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 8.1 pt-20 -75.48 -17.31 60.16 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 114.893 -1.049 . . . . 71.53 111.367 -178.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.435 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 2.8 t-20 -62.44 -54.49 39.35 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.987 0.805 . . . . 52.14 110.356 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -61.68 -37.64 84.86 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.734 0.814 . . . . 64.42 110.633 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 82' ' ' LEU . 78.8 mt -64.03 -42.04 97.22 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.34 -0.845 . . . . 62.14 110.743 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.617 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 32.9 tt0 -69.78 -32.79 71.47 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.747 0.654 . . . . 74.3 110.68 -174.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 88' ' ' ASN . 10.1 mm-40 -67.81 -54.54 18.29 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.73 -0.841 . . . . 74.43 108.73 173.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -58.12 -40.56 81.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.299 1.039 . . . . 63.12 112.549 -174.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -67.92 -28.84 67.83 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.767 0.427 . . . . 74.42 111.252 -176.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -64.46 -38.22 90.27 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 110.125 -0.324 . . . . 72.33 110.125 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 4.1 mptp? -62.32 -51.49 67.46 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.56 -0.534 . . . . 71.31 109.56 175.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.434 HD12 HD12 ' A' ' 68' ' ' LEU . 46.0 mm -63.98 -34.08 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.89 0.876 . . . . 71.11 111.475 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -73.75 -31.8 63.52 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.474 0.71 . . . . 50.35 109.711 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.0 m -79.57 -15.65 57.31 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.558 0.743 . . . . 75.43 111.18 174.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 29.3 mt-30 -83.22 -12.44 56.83 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.602 0.761 . . . . 75.32 110.191 171.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.3 46.49 3.27 Favored Glycine 0 C--N 1.354 1.536 0 O-C-N 123.781 0.676 . . . . 75.31 112.773 172.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -134.77 152.45 51.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.296 0.638 . . . . 74.13 110.695 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 71.6 tt0 -80.74 102.36 9.88 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 108.838 -0.801 . . . . 75.45 108.838 176.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.4 p -121.65 126.75 75.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 C-N-CA 123.234 0.614 . . . . 23.45 109.877 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -113.75 140.12 48.54 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.208 0.603 . . . . 73.44 109.608 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.74 ' HE2' ' HB2' ' A' ' 87' ' ' GLU . 11.8 tmtt? -112.03 115.32 28.73 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.764 1.225 . . . . 52.44 108.31 -176.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 23.1 m -135.74 -177.79 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 124.878 1.271 . . . . 73.11 109.231 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 p -135.82 -44.49 0.66 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.703 0.801 . . . . 75.15 111.025 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -91.16 166.86 12.74 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 113.038 0.755 . . . . 72.21 113.038 -171.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.2 -58.68 3.5 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 113.991 -1.458 . . . . 61.42 110.892 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -63.49 -28.92 70.29 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.349 0.66 . . . . 70.1 111.807 -176.323 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -69.8 -46.79 64.93 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.455 1.102 . . . . 74.42 110.527 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.533 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -62.06 -41.19 97.89 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.226 -0.897 . . . . 71.33 111.535 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.99 -33.94 74.02 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.897 0.879 . . . . 74.41 111.836 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 61.7 mttp -60.62 -50.98 71.33 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 123.602 0.564 . . . . 60.03 109.719 173.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.5 mm -68.43 -34.47 65.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.381 -1.282 . . . . 74.15 112.05 -170.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 113' ' ' ALA . 97.9 t -57.11 -48.45 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.416 -0.587 . . . . 71.11 109.416 174.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.514 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 38.4 mtt180 -65.49 -34.68 78.83 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.059 -0.973 . . . . 63.21 111.349 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 7.7 mm-40 -62.81 -46.21 89.0 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.047 0.539 . . . . 70.45 110.344 175.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.409 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 16.1 m-30 -57.35 -40.47 78.13 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.586 -0.734 . . . . 71.45 111.479 176.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 84.6 mtp -68.09 -23.08 64.89 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.009 0.923 . . . . 70.13 111.578 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 78.1 mm-40 -74.68 -51.84 13.26 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.035 0.534 . . . . 74.03 110.563 176.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -29.75 70.58 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.552 -0.749 . . . . 53.02 109.926 178.013 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -70.34 -39.17 74.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.976 0.91 . . . . 71.1 110.138 176.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.76 -21.48 71.17 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 115.645 -0.707 . . . . 73.32 112.815 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.8 m -79.24 -20.28 48.57 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.614 0.765 . . . . 51.12 111.215 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.505 HD12 HG12 ' A' ' 3' ' ' ILE . 69.8 mt . . . . . 0 N--CA 1.486 1.363 0 C-N-CA 123.46 0.704 . . . . 75.3 111.27 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.916 -0.402 . . . . 60.15 109.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -111.94 149.41 31.96 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.354 0.661 . . . . 74.11 109.807 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.499 HG21 ' HB1' ' A' ' 124' ' ' ALA . 63.0 mt -115.97 125.45 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.727 0.811 . . . . 71.54 109.282 -179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.504 HD11 HD22 ' A' ' 45' ' ' LEU . 10.6 mp -124.38 138.25 54.39 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.223 0.609 . . . . 73.31 109.607 172.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.9 mt -122.38 111.96 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 107.437 -1.319 . . . . 74.03 107.437 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.434 HD21 ' SD ' ' A' ' 67' ' ' MET . 79.2 mt -86.51 134.69 33.65 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.541 0.736 . . . . 53.44 109.211 -177.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.7 mm -123.52 122.26 64.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 N-CA-C 108.229 -1.026 . . . . 64.42 108.229 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -132.09 103.96 6.55 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.308 -0.997 . . . . 73.54 108.308 171.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 t -128.43 143.78 51.04 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 123.363 0.665 . . . . 70.33 110.179 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -80.92 -15.67 55.65 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.276 -0.875 . . . . 73.3 111.129 -175.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -108.12 127.7 54.03 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.99 -0.745 . . . . 75.41 108.99 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.41 -23.08 61.04 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.555 1.142 . . . . 53.33 111.788 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -60.73 -43.72 97.55 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.173 0.989 . . . . 64.41 110.609 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 110' ' ' ASP . 36.3 tp -64.13 -40.67 96.67 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.844 -1.071 . . . . 73.42 111.485 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.517 HD13 ' HE2' ' A' ' 57' ' ' LYS . 82.2 mt -52.61 -49.73 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.766 0.827 . . . . 73.44 110.703 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -56.82 -41.33 77.63 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.574 1.171 . . . . 72.14 111.215 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 44.5 mtpt -71.41 -44.07 65.6 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.263 -0.88 . . . . 74.32 110.872 -177.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.2 mt -59.55 -40.1 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 123.79 0.836 . . . . 74.21 110.178 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -58.95 -48.86 80.02 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.17 -0.923 . . . . 74.41 110.341 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -63.49 -36.53 84.07 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.433 0.293 . . . . 74.21 111.74 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 8.4 mm-40 -56.69 -50.76 71.18 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.556 0.743 . . . . 74.11 110.755 174.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.613 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 11.6 m -81.48 -22.71 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 115.181 -0.918 . . . . 74.44 112.072 -174.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -72.34 -39.21 68.31 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.417 0.687 . . . . 61.32 110.413 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -67.05 -14.38 62.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.881 0.473 . . . . 63.13 111.208 172.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -113.56 8.65 17.77 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.756 0.822 . . . . 75.41 111.626 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 37.07 56.2 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 115.423 0.929 . . . . 65.23 115.423 168.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.613 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 6.0 m-85 -95.09 139.89 30.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.559 0.744 . . . . 72.22 109.848 174.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -88.38 112.55 23.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.936 0.894 . . . . 72.14 109.708 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.8 t -85.76 132.13 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 109.173 -0.677 . . . . 73.21 109.173 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.559 HH11 HG22 ' A' ' 32' ' ' VAL . 2.8 tmt_? -127.93 121.81 30.85 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.668 0.787 . . . . 73.22 109.407 175.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -80.8 137.36 36.22 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 125.013 1.325 . . . . 63.54 110.906 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.559 HG22 HH11 ' A' ' 30' ' ' ARG . 21.6 t -132.38 115.05 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.963 0.905 . . . . 71.21 109.541 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -110.47 -54.03 2.63 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.761 0.424 . . . . 65.34 110.649 176.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -88.86 157.99 18.26 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.232 0.613 . . . . 70.52 111.698 -171.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.6 m -64.1 -32.52 74.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.228 1.011 . . . . 62.43 109.967 167.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 20.1 t70 -64.73 -43.35 93.69 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.654 -1.157 . . . . 65.12 109.752 174.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -70.14 -26.68 64.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.497 0.319 . . . . 64.4 111.776 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.512 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 56.3 tp -61.42 -55.36 32.22 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 123.579 0.549 . . . . 73.31 109.846 173.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 1.6 pptp? -65.68 -31.95 73.24 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 122.415 -0.178 . . . . 72.51 111.368 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -50.57 -48.71 57.44 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.028 0.931 . . . . 74.42 111.007 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 6.8 pt-20 -78.21 -36.61 46.98 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.629 -0.714 . . . . 61.42 109.979 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.523 ' SD ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -54.9 -43.13 72.96 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.529 0.731 . . . . 72.13 112.518 -175.224 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 4.8 mptp? -61.41 -43.55 98.68 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.665 0.603 . . . . 72.34 110.036 174.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -68.21 -32.51 72.77 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.76 0.824 . . . . 75.02 111.981 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.2 mt -75.05 -36.77 61.81 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.526 0.73 . . . . 74.1 110.123 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.71 -48.74 63.08 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.002 -0.999 . . . . 44.41 111.321 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -78.12 -65.72 0.94 Allowed 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.622 0.577 . . . . 61.34 110.351 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -77.71 87.58 3.98 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.21 -1.033 . . . . 74.13 108.21 175.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -91.67 13.37 18.24 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.664 -1.153 . . . . 74.12 109.742 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -51.71 135.89 28.3 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.177 1.391 . . . . 62.04 110.504 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -60.98 102.82 0.22 Allowed 'General case' 0 C--O 1.238 0.474 0 O-C-N 124.423 1.077 . . . . 61.33 109.52 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -141.29 132.94 27.14 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.346 -0.843 . . . . 64.32 109.408 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HB2' ' HZ2' ' A' ' 53' ' ' LYS . 7.9 mtmp? -91.77 84.55 5.43 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 124.591 1.182 . . . . 73.15 108.93 -178.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.2 mt -95.91 129.4 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 122.403 0.281 . . . . 73.21 110.719 -176.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.549 HD22 HG21 ' A' ' 22' ' ' VAL . 16.0 tp -97.68 114.9 26.97 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.505 -1.294 . . . . 64.53 107.505 167.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.42 ' HB ' HD23 ' A' ' 6' ' ' LEU . 44.9 mm -90.9 114.96 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 109.252 -0.648 . . . . 73.11 109.252 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.517 ' HE2' HD13 ' A' ' 15' ' ' ILE . 14.3 tmtt? -94.11 123.85 37.75 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.212 1.005 . . . . 72.43 108.632 174.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.575 ' HB3' HD11 ' A' ' 64' ' ' LEU . 35.7 t -151.63 173.81 14.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.318 0.647 . . . . 75.22 109.9 175.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -136.49 10.22 3.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.095 0.958 . . . . 63.42 111.211 -174.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -127.5 109.18 11.47 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.906 -0.776 . . . . 52.24 108.906 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -52.62 -35.95 55.51 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.696 1.199 . . . . 74.34 112.701 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -71.7 -39.78 69.94 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 118.961 -0.542 . . . . 74.4 110.069 -170.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.2 mt -53.84 -41.25 67.22 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 123.803 0.689 . . . . 44.21 110.924 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.575 HD11 ' HB3' ' A' ' 58' ' ' SER . 9.2 mp -69.17 -43.92 73.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.534 -0.757 . . . . 71.11 111.258 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 20.6 ttpp -66.22 -44.7 83.07 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.64 0.376 . . . . 75.22 109.997 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.61 -31.25 72.18 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.0 1.32 . . . . 63.35 111.434 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.509 ' HB2' HD11 ' A' ' 38' ' ' LEU . 47.9 ttm -63.44 -46.72 84.98 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 108.737 -0.838 . . . . 45.32 108.737 174.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 71' ' ' ILE . 77.9 mt -71.99 -20.42 61.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.337 1.055 . . . . 62.32 112.261 -176.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 69.1 mm-40 -65.96 -35.74 81.42 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 109.656 -0.498 . . . . 71.32 109.656 170.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.523 HD12 ' SD ' ' A' ' 42' ' ' MET . 34.1 mt -86.17 -30.8 22.18 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.886 -0.597 . . . . 73.23 111.567 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.499 HD12 HD23 ' A' ' 68' ' ' LEU . 64.5 mt -71.44 -29.24 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 123.074 0.549 . . . . 60.43 110.548 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.1 p -62.15 -31.04 71.48 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.977 0.511 . . . . 42.2 111.19 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -65.4 -42.51 92.52 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.675 0.79 . . . . 75.45 110.311 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.0 mt -73.17 -38.41 66.19 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.495 -1.229 . . . . 60.3 110.792 -177.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.89 48.0 51.34 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-N 115.42 -0.809 . . . . 62.51 114.079 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.4 ' CE1' HD13 ' A' ' 4' ' ' LEU . 44.1 p90 -111.04 168.45 9.49 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 117.477 0.639 . . . . 71.32 109.834 165.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -94.79 128.04 41.23 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.689 0.796 . . . . 74.5 110.619 -170.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 49.5 t -123.67 147.72 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.78 1.232 . . . . 73.33 109.806 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -121.12 123.67 42.88 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.08 1.352 . . . . 73.32 108.352 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.406 HD23 HG13 ' A' ' 97' ' ' ILE . 27.2 tp -115.87 131.71 56.86 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.758 0.708 . . . . 71.31 111.078 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.456 HD21 ' HB1' ' A' ' 113' ' ' ALA . 33.4 tp -114.99 126.28 54.58 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.972 0.909 . . . . 74.24 109.458 173.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.443 ' HB3' HD13 ' A' ' 90' ' ' LEU . 91.5 mt -113.32 123.15 49.45 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.702 1.201 . . . . 74.32 108.732 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -139.75 111.57 7.36 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.802 0.441 . . . . 32.23 110.906 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.449 ' HB3' HD11 ' A' ' 90' ' ' LEU . 16.8 t0 -165.24 156.89 14.86 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.289 0.636 . . . . 71.23 109.44 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -62.43 -37.59 86.43 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.226 1.01 . . . . 63.24 110.168 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -88.59 60.35 5.57 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 123.002 1.382 . . . . 74.23 108.66 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.516 ' HB2' ' HD2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -71.58 -15.1 62.26 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 114.269 -1.332 . . . . 73.1 112.06 179.739 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.44 -43.49 93.1 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.644 0.777 . . . . 74.04 110.98 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.39 -29.19 62.45 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.171 0.588 . . . . 73.11 111.114 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 84' ' ' ASP . 92.8 mt -70.86 -25.25 62.73 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.34 0.656 . . . . 65.22 110.842 173.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.42 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 18.5 tp10 -71.94 -25.87 62.06 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 123.573 0.749 . . . . 75.43 109.941 176.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -82.06 -47.68 12.31 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.296 0.638 . . . . 75.34 110.465 171.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.431 ' O ' HG12 ' A' ' 97' ' ' ILE . 70.8 t80 -57.54 -42.6 83.24 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.362 1.065 . . . . 65.1 111.401 -173.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 91' ' ' GLU . 19.2 ptpt -57.33 -33.3 67.58 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.754 0.822 . . . . 64.43 111.958 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -74.6 -22.68 58.82 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.492 0.717 . . . . 75.43 111.014 -172.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -36.12 49.28 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.888 0.875 . . . . 70.32 109.229 174.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.486 HG23 HD13 ' A' ' 68' ' ' LEU . 40.4 mm -74.55 -37.01 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.047 0.939 . . . . 70.33 110.663 -176.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -70.13 -31.87 69.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 114.645 -1.161 . . . . 61.11 108.755 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -68.55 -36.94 79.47 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.678 0.791 . . . . 51.35 110.293 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -67.61 -24.93 65.53 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.373 0.669 . . . . 64.04 110.543 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.31 35.65 3.07 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.248 -0.433 . . . . 42.11 113.132 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -120.91 148.11 44.51 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.993 0.517 . . . . 74.31 110.508 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -74.09 123.46 24.45 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 108.441 -0.948 . . . . 64.12 108.441 175.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.3 p -138.08 143.77 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 O-C-N 123.917 0.76 . . . . 65.34 109.815 -175.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -138.3 158.11 44.94 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.232 1.013 . . . . 75.32 109.768 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.516 ' HD2' ' HB2' ' A' ' 87' ' ' GLU . 34.0 ttpt -125.5 141.68 51.91 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.055 -1.429 . . . . 75.2 108.707 177.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.4 m -144.39 169.86 8.72 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 C-N-CA 124.851 1.26 . . . . 74.42 109.486 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.8 p -129.13 -36.06 1.77 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.329 1.052 . . . . 73.14 109.985 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -95.58 155.83 16.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.18 0.592 . . . . 74.32 110.854 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 17.9 p-10 -72.99 -50.15 24.88 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.85 -1.068 . . . . 75.41 111.595 -175.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -67.46 -31.46 71.63 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.067 0.461 . . . . 51.21 110.41 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.498 ' O ' HG12 ' A' ' 116' ' ' ILE . 43.6 tt0 -62.99 -45.73 91.02 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.308 1.043 . . . . 72.32 109.915 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.14 -45.98 92.43 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.556 -0.747 . . . . 41.41 111.438 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 110' ' ' ASP . 80.2 mt -58.14 -38.22 76.14 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.017 0.927 . . . . 62.42 110.896 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 115' ' ' LYS . 37.8 ttmt -66.68 -39.26 88.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.199 1.4 . . . . 73.31 110.554 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 112' ' ' GLU . 42.5 mm -75.29 -33.33 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 123.359 0.664 . . . . 71.23 110.991 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 113' ' ' ALA . 87.7 t -56.95 -48.33 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 109.249 -0.649 . . . . 61.05 109.249 172.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 60.7 mtt180 -59.04 -38.38 79.19 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.161 0.913 . . . . 74.24 110.938 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -59.84 -55.52 33.17 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.739 0.65 . . . . 72.41 110.665 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.407 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.9 m-85 -51.9 -40.18 60.26 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.156 0.982 . . . . 71.51 112.224 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 78.4 mtp -67.94 -23.94 65.13 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.441 1.096 . . . . 72.32 112.501 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 118' ' ' ARG . 66.1 mt-30 -71.89 -46.08 59.01 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.53 0.732 . . . . 63.4 110.361 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -29.17 62.46 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.416 -0.811 . . . . 73.13 109.779 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.499 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -65.18 -46.13 82.02 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.986 0.803 . . . . 75.33 110.16 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.77 -38.6 96.41 Favored Glycine 0 C--N 1.347 1.18 0 CA-C-N 115.517 -0.765 . . . . 74.03 112.941 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 79.7 p -70.49 -17.34 62.96 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.598 0.592 . . . . 70.42 112.598 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 113.723 1.008 . . . . 75.0 113.723 -178.055 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.012 -0.366 . . . . 60.11 110.012 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.5 161.07 37.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.675 1.19 . . . . 61.24 108.117 169.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.568 HD13 ' HB1' ' A' ' 124' ' ' ALA . 66.9 mt -119.02 103.67 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.083 -1.08 . . . . 71.21 108.083 174.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.413 ' HB2' HG22 ' A' ' 78' ' ' VAL . 10.9 mp -103.54 141.98 35.08 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.3 -0.629 . . . . 72.22 109.3 175.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.9 mt -119.81 113.69 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 107.149 -1.426 . . . . 74.14 107.149 169.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.656 ' HB3' HD23 ' A' ' 64' ' ' LEU . 93.2 mt -88.88 125.93 35.15 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.625 -0.88 . . . . 74.02 108.625 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -115.11 116.08 51.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 108.575 -0.898 . . . . 73.25 108.575 176.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -124.41 102.14 7.51 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 106.954 -1.498 . . . . 63.02 106.954 171.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.488 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 7.7 t -130.41 144.24 51.27 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.525 -0.762 . . . . 74.4 109.291 173.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -78.16 -21.1 50.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.531 -0.759 . . . . 52.22 110.596 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -102.98 109.9 21.62 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.463 0.649 . . . . 74.21 109.918 171.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.75 -22.13 66.57 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.548 1.139 . . . . 74.42 111.505 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.24 -40.09 64.32 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.779 1.231 . . . . 75.33 111.963 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.37 -36.72 85.05 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 114.833 -1.076 . . . . 64.21 111.329 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.486 HD13 ' HG2' ' A' ' 57' ' ' LYS . 54.7 mt -66.79 -29.22 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.378 0.671 . . . . 61.12 111.179 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -58.96 -31.56 68.83 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.501 0.667 . . . . 63.53 110.349 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 93.5 mttt -81.37 -52.1 7.64 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.316 -1.311 . . . . 74.35 110.144 175.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.29 -38.07 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 C-N-CA 124.182 0.993 . . . . 73.4 112.819 -173.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HE3' HG11 ' A' ' 29' ' ' VAL . 57.4 mtpt -61.6 -47.64 84.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.211 0.604 . . . . 72.24 109.59 176.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -64.45 -34.09 77.4 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.722 0.639 . . . . 72.15 111.637 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 14.0 mm-40 -61.0 -51.56 68.7 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 123.767 0.667 . . . . 33.34 110.351 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.616 HG11 HD13 ' A' ' 55' ' ' LEU . 23.3 m -74.88 -22.62 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 115.981 -0.554 . . . . 73.24 111.978 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.4 -30.18 71.03 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.106 0.562 . . . . 70.23 111.424 174.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -63.74 -33.87 76.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.646 0.379 . . . . 63.42 111.202 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -89.57 -2.13 58.24 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.55 0.74 . . . . 55.25 111.709 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.71 38.2 43.48 Favored Glycine 0 C--N 1.344 1.007 0 O-C-N 123.022 0.202 . . . . 72.43 113.1 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -78.98 140.76 37.94 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.117 0.484 . . . . 73.24 110.285 171.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -78.92 112.48 16.13 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.773 -1.195 . . . . 62.55 107.773 168.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.51 HG11 ' HE3' ' A' ' 19' ' ' LYS . 38.4 t -93.43 118.12 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.532 -0.544 . . . . 64.41 109.532 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -114.02 128.35 56.35 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.193 1.397 . . . . 65.44 109.403 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -104.94 112.69 25.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.971 0.908 . . . . 71.02 108.746 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -87.06 114.39 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.484 0.714 . . . . 72.45 109.565 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.448 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 31.1 m-80 -94.42 -17.43 22.5 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.65 0.78 . . . . 64.42 112.511 -174.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -164.46 174.45 10.95 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 117.822 0.283 . . . . 72.44 111.404 -170.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.0 p -68.73 -34.15 75.13 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.906 0.882 . . . . 71.01 111.017 173.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -45.13 95.32 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 122.952 0.501 . . . . 71.1 110.077 172.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 8.5 mm-40 -54.46 -46.91 73.44 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 123.934 0.771 . . . . 61.32 110.867 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 50.4 tp -56.01 -58.23 8.79 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.89 1.369 . . . . 63.11 111.689 -178.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -36.88 84.61 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 119.463 -0.303 . . . . 70.13 110.731 -175.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -55.3 -50.5 69.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.537 0.735 . . . . 72.31 111.453 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 9.2 pt-20 -73.57 -27.71 61.46 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.492 0.495 . . . . 73.2 110.744 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.467 ' HE3' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -62.01 -40.01 94.23 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.814 0.446 . . . . 75.11 111.447 177.004 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -60.2 -37.46 80.35 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.749 0.419 . . . . 75.12 110.312 173.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 11.2 mmpt? -71.57 -36.78 71.01 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.379 0.672 . . . . 62.54 110.91 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 71.3 mt -75.23 -22.51 57.86 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.89 0.476 . . . . 72.54 110.932 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.74 -50.02 7.06 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.577 0.751 . . . . 42.34 112.54 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -82.33 -52.54 6.82 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.555 0.742 . . . . 62.42 111.247 -172.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -74.05 97.51 2.89 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.791 -1.189 . . . . 74.23 107.791 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -85.78 25.32 1.11 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.194 0.997 . . . . 63.33 112.277 -171.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -68.24 139.07 56.0 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.297 0.639 . . . . 72.53 110.444 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -73.55 106.17 5.21 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 108.254 -1.017 . . . . 73.33 108.254 169.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -129.2 139.65 51.79 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.079 0.466 . . . . 64.12 110.195 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -93.47 113.45 25.6 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.988 -1.486 . . . . 72.43 106.988 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.1 mt -124.49 130.52 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.139 0.576 . . . . 65.24 110.916 -173.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.616 HD13 HG11 ' A' ' 22' ' ' VAL . 21.2 tp -90.63 140.71 29.5 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.328 -0.99 . . . . 74.15 108.328 166.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.3 mm -117.19 121.78 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.357 0.663 . . . . 73.55 109.519 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.486 ' HG2' HD13 ' A' ' 15' ' ' ILE . 6.9 tmtm? -98.98 116.07 30.37 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.404 1.082 . . . . 62.12 108.125 173.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -157.33 168.94 25.9 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.271 0.628 . . . . 61.24 109.522 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -134.24 -29.17 1.26 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.831 0.853 . . . . 61.24 109.976 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.51 98.41 1.45 Allowed 'General case' 0 C--N 1.348 0.512 0 C-N-CA 122.601 0.36 . . . . 74.14 110.198 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -48.53 -30.12 4.91 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.168 1.387 . . . . 72.35 113.311 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -59.33 -49.07 79.24 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.5 0.72 . . . . 62.35 109.363 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.8 mt -61.06 -41.8 97.29 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.714 0.806 . . . . 53.31 112.07 -175.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.656 HD23 ' HB3' ' A' ' 6' ' ' LEU . 6.3 mp -68.83 -39.57 79.9 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.516 0.51 . . . . 72.04 110.994 -176.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 61.0 tttm -71.14 -45.73 62.98 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 109.639 -0.504 . . . . 73.51 109.639 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -61.12 -29.63 69.88 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.968 0.907 . . . . 74.14 111.552 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.462 ' SD ' HD21 ' A' ' 6' ' ' LEU . 49.7 ttm -65.0 -48.75 72.83 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.937 -0.764 . . . . 75.41 108.937 173.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.423 HD13 HG23 ' A' ' 97' ' ' ILE . 88.6 mt -69.53 -23.66 63.62 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.109 0.964 . . . . 55.42 112.818 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 16.0 mm-40 -64.05 -41.01 97.53 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.226 -0.657 . . . . 74.42 109.226 173.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.7 mt -82.84 -32.68 27.38 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.148 -0.933 . . . . 44.42 110.856 -177.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.611 HD13 HG21 ' A' ' 78' ' ' VAL . 73.6 mt -68.6 -32.89 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.631 0.773 . . . . 75.33 110.563 177.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -62.91 -24.29 67.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.907 0.483 . . . . 74.14 111.084 176.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -80.64 -39.89 26.54 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.242 0.617 . . . . 74.3 109.771 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.5 -30.76 66.33 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.8 0.84 . . . . 71.44 112.222 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.53 74.0 0.85 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.859 -0.609 . . . . 62.2 113.427 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -154.2 157.01 38.16 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.016 0.526 . . . . 65.3 110.776 167.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 127' ' ' LEU . 3.1 tmtm? -84.79 130.48 34.67 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 115.435 -0.802 . . . . 73.43 109.365 -172.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.611 HG21 HD13 ' A' ' 71' ' ' ILE . 94.7 t -127.45 142.57 43.24 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 C-N-CA 124.191 0.996 . . . . 70.21 109.482 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -97.83 160.66 14.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.614 1.165 . . . . 71.42 109.255 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.8 tp -147.0 141.74 26.75 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.482 0.713 . . . . 72.04 109.395 177.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.494 HD13 HG21 ' A' ' 116' ' ' ILE . 50.8 tp -132.0 120.02 21.86 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.144 0.978 . . . . 73.11 108.972 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.496 ' HB3' HD22 ' A' ' 90' ' ' LEU . 89.3 mt -110.97 104.75 13.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.499 1.12 . . . . 74.51 108.724 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.488 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -115.3 111.82 21.47 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 123.148 0.579 . . . . 34.22 111.26 -175.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.463 ' HB3' HD11 ' A' ' 90' ' ' LEU . 38.2 t70 -168.69 158.02 8.89 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.086 -0.961 . . . . 75.45 109.347 176.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -59.09 -47.61 84.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.846 0.858 . . . . 71.55 109.772 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -82.22 103.55 11.9 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.475 -0.565 . . . . 53.01 109.475 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -87.53 -13.6 42.54 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.397 0.679 . . . . 60.23 111.92 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -57.92 -49.53 76.45 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.636 0.774 . . . . 64.24 110.733 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -45.46 81.8 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 115.039 -0.982 . . . . 74.44 109.858 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 82' ' ' LEU . 88.5 mt -65.79 -28.89 69.35 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.059 -0.973 . . . . 73.23 112.013 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 29.4 tt0 -64.33 -53.99 40.04 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 123.211 0.604 . . . . 61.32 110.426 -176.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.411 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -53.24 -45.51 68.77 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.468 1.105 . . . . 62.51 110.031 -178.765 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.457 ' HD2' HD11 ' A' ' 82' ' ' LEU . 55.8 t80 -61.03 -55.17 35.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.13 0.972 . . . . 73.1 110.83 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -68.51 -23.23 64.52 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.829 0.677 . . . . 74.11 112.829 -171.201 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 79.7 mtp180 -64.71 -42.01 95.58 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.568 0.347 . . . . 75.3 110.683 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -70.0 -44.45 69.35 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.357 -0.838 . . . . 53.32 109.905 179.31 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.423 HG23 HD13 ' A' ' 68' ' ' LEU . 41.6 mm -61.63 -44.66 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.963 0.905 . . . . 72.44 111.124 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.69 -33.43 74.9 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.38 -0.827 . . . . 64.34 110.953 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -73.3 -24.56 60.42 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.819 -0.628 . . . . 73.1 110.609 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -77.02 -4.28 43.36 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.499 0.72 . . . . 72.41 111.662 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.55 19.05 53.63 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-O 120.407 -0.107 . . . . 70.34 112.891 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -105.69 136.22 45.69 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.506 0.722 . . . . 53.54 109.255 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -78.44 129.19 34.63 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 109.323 -0.621 . . . . 75.45 109.323 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.45 HG13 ' HE2' ' A' ' 94' ' ' LYS . 2.8 p -140.66 126.71 20.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 121.2 0.524 . . . . 63.01 111.017 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -107.44 142.06 37.88 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.728 0.811 . . . . 75.21 109.815 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.83 126.16 52.32 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 106.91 -1.515 . . . . 73.02 106.91 169.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.3 m -131.25 166.61 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.648 0.779 . . . . 73.11 109.88 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.2 p -123.06 -38.4 2.6 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.645 0.778 . . . . 72.13 110.427 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.73 157.46 20.28 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.17 0.509 . . . . 71.23 111.566 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.99 -56.29 8.26 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.636 -1.166 . . . . 73.24 109.74 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.87 -34.29 77.06 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.492 -0.776 . . . . 73.24 110.938 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 116' ' ' ILE . 64.2 tt0 -64.93 -40.25 94.75 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 123.563 0.745 . . . . 63.43 110.019 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.42 96.23 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.592 0.357 . . . . 73.51 111.399 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.401 HD11 ' HD3' ' A' ' 17' ' ' LYS . 96.7 mt -62.28 -43.46 98.78 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.642 0.777 . . . . 64.21 112.022 -177.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -69.09 -31.32 69.95 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 123.435 0.459 . . . . 65.34 110.654 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.8 mm -67.16 -40.64 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.485 0.714 . . . . 72.14 110.727 177.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 84.9 t -62.4 -40.36 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.242 0.617 . . . . 65.23 109.795 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 91.8 mtt180 -68.15 -22.86 64.83 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.445 -0.798 . . . . 75.35 111.58 176.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.445 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 56.8 mt-10 -75.52 -53.18 9.06 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 110.097 -0.334 . . . . 71.42 110.097 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -49.73 -42.38 45.99 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.565 1.146 . . . . 73.21 112.718 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 19.8 ptp -69.55 -22.04 63.58 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.452 0.701 . . . . 72.45 112.69 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 9.1 mm100 -80.47 -45.54 17.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.787 0.435 . . . . 65.43 110.545 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.445 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 3.4 mptp? -63.64 -31.6 72.82 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 109.836 -0.431 . . . . 71.14 109.836 176.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.568 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -51.78 -45.86 63.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.948 1.299 . . . . 54.25 112.465 177.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.45 -38.02 95.23 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 116.06 -0.518 . . . . 45.44 112.543 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.7 m -67.54 -34.37 76.94 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.396 0.678 . . . . 73.32 110.508 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 77' ' ' LYS . 92.4 mt . . . . . 0 N--CA 1.481 1.085 0 C-N-CA 123.791 0.836 . . . . 74.05 111.338 176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.457 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 13.7 tpt . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.86 -0.422 . . . . 73.33 109.86 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -91.05 137.49 32.33 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 109.111 -0.699 . . . . 61.44 109.111 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.54 HD12 ' HG2' ' A' ' 53' ' ' LYS . 55.6 mt -105.97 118.0 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.382 -0.599 . . . . 65.32 109.382 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.693 HD21 HD13 ' A' ' 45' ' ' LEU . 8.7 mp -115.37 133.31 56.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.595 0.758 . . . . 54.24 110.424 174.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.1 mt -113.08 107.46 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 N-CA-C 107.359 -1.349 . . . . 64.42 107.359 160.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.506 HD23 ' HB ' ' A' ' 56' ' ' ILE . 89.6 mt -86.06 111.44 20.32 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.42 -0.956 . . . . 72.34 108.42 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.475 HG13 HG21 ' A' ' 18' ' ' ILE . 38.9 mm -108.81 118.92 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 108.894 -0.78 . . . . 71.12 108.894 174.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -126.53 106.91 9.77 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.113 0.965 . . . . 73.42 108.673 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.503 HG21 ' HB3' ' A' ' 14' ' ' LEU . 11.9 t -129.37 147.11 51.16 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 123.091 0.557 . . . . 75.45 110.137 171.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -75.23 -38.73 60.48 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 109.239 -0.652 . . . . 70.4 109.239 171.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -82.59 84.25 7.32 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.618 0.723 . . . . 63.51 110.039 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -50.03 -29.2 8.25 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 126.552 1.941 . . . . 53.24 114.297 -173.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.651 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 23.3 mm-40 -55.79 -31.21 62.44 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.867 0.867 . . . . 63.31 111.997 -178.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' HB3' HG21 ' A' ' 9' ' ' THR . 56.1 tp -60.4 -48.36 82.08 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.334 1.054 . . . . 71.01 111.654 177.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.576 HG21 ' HG2' ' A' ' 57' ' ' LYS . 17.5 mt -69.68 -33.33 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 O-C-N 122.954 0.159 . . . . 74.24 110.759 -175.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 57.0 mtpt -55.12 -28.38 52.24 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.281 0.632 . . . . 74.12 111.107 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -83.44 -46.58 12.34 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.492 1.117 . . . . 62.45 110.494 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.475 HG21 HG13 ' A' ' 7' ' ' ILE . 75.6 mt -57.7 -31.84 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 124.721 1.209 . . . . 73.34 111.684 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HE3' HG11 ' A' ' 29' ' ' VAL . 53.4 mtpt -63.51 -43.69 96.45 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.535 0.734 . . . . 64.43 110.212 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -66.57 -38.18 86.53 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.112 -0.494 . . . . 72.35 110.065 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -57.86 -51.71 68.48 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.652 0.781 . . . . 73.22 110.92 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.578 HG11 HD13 ' A' ' 55' ' ' LEU . 19.8 m -72.91 -27.25 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 115.25 -0.886 . . . . 70.42 111.777 -173.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.94 -34.02 74.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.09 0.556 . . . . 72.24 111.555 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -62.93 -34.09 76.73 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.782 0.433 . . . . 53.41 110.821 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -93.87 -0.45 55.73 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.425 0.69 . . . . 55.32 111.614 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.23 37.82 11.96 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-N 116.257 -0.429 . . . . 72.45 114.05 171.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CE1' ' HE2' ' A' ' 53' ' ' LYS . 44.6 m-85 -88.33 137.36 32.4 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.68 0.392 . . . . 75.2 110.622 173.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -80.84 114.76 19.95 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 108.259 -1.015 . . . . 75.2 108.259 167.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.49 HG11 ' HE3' ' A' ' 19' ' ' LYS . 48.6 t -82.27 127.34 39.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 109.286 -0.635 . . . . 54.04 109.286 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -132.63 118.7 19.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.873 1.269 . . . . 74.34 107.723 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -110.23 114.67 28.34 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.613 0.765 . . . . 62.41 112.338 -169.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -73.14 110.16 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 C-N-CA 124.048 0.939 . . . . 62.42 109.588 174.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.458 ' H ' ' HG3' ' A' ' 37' ' ' GLU . 31.0 m-80 -100.6 -26.67 13.75 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.952 0.901 . . . . 74.53 110.202 173.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.4 172.88 12.33 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.001 0.921 . . . . 74.02 110.702 -171.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.6 m -69.15 -30.21 68.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.172 -0.922 . . . . 74.33 110.168 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -66.84 -44.74 80.26 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.421 0.688 . . . . 75.34 110.307 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.458 ' HG3' ' H ' ' A' ' 33' ' ' ASN . 15.3 mm-40 -54.34 -49.31 70.06 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 124.119 0.887 . . . . 73.02 110.077 173.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' ' 42' ' ' MET . 45.0 tp -54.74 -58.49 7.33 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 125.186 1.554 . . . . 73.52 111.668 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -41.76 89.88 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 119.065 -0.493 . . . . 75.52 111.214 -174.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -57.34 -46.23 83.51 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.467 0.307 . . . . 60.01 111.284 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.7 pt-20 -74.14 -26.87 60.56 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.369 -0.378 . . . . 71.14 110.832 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' A' ' 38' ' ' LEU . 29.0 mtp -70.81 -21.27 62.49 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.121 0.415 . . . . 63.2 112.121 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -47.64 85.06 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.577 -0.897 . . . . 72.05 108.577 164.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -72.6 -14.98 61.74 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.412 1.085 . . . . 75.31 113.331 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.693 HD13 HD21 ' A' ' 4' ' ' LEU . 53.7 mt -87.44 -41.89 13.21 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.763 0.316 . . . . 63.25 110.741 173.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.32 -54.75 3.56 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.429 1.27 . . . . 73.51 114.429 -166.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -85.04 11.74 9.01 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 115.009 1.485 . . . . 71.21 115.009 -158.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -133.57 -34.65 1.03 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.071 -0.714 . . . . 74.22 109.071 161.037 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt 61.14 20.01 10.55 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.957 1.303 . . . . 73.24 112.041 172.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.41 ' H ' ' HG2' ' A' ' 48' ' ' GLU . 26.2 p-10 -66.05 163.04 18.19 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.409 0.684 . . . . 72.54 111.526 -175.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.457 ' HA ' ' O ' ' A' ' 1' ' ' MET . 82.9 t80 -74.04 94.24 2.36 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.731 -0.668 . . . . 64.25 109.856 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -142.18 145.61 34.35 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 123.529 0.732 . . . . 74.11 109.355 170.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HG2' HD12 ' A' ' 3' ' ' ILE . 51.5 mtpt -95.79 114.41 26.15 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.585 1.154 . . . . 72.53 108.205 -175.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.8 mt -123.75 125.95 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.297 0.639 . . . . 60.4 110.106 -177.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.578 HD13 HG11 ' A' ' 22' ' ' VAL . 32.1 tp -85.94 118.2 25.27 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 107.586 -1.264 . . . . 74.14 107.586 165.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.506 ' HB ' HD23 ' A' ' 6' ' ' LEU . 36.2 mm -93.82 132.42 37.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 108.378 -0.971 . . . . 61.0 108.378 170.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.576 ' HG2' HG21 ' A' ' 15' ' ' ILE . 13.6 tmtt? -115.31 131.71 56.84 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.77 1.228 . . . . 73.03 107.992 -177.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.1 t -156.77 152.03 26.44 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.161 0.505 . . . . 62.2 110.33 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -105.79 -3.95 21.4 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.727 0.811 . . . . 44.33 110.165 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -121.5 131.52 54.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.303 0.641 . . . . 63.02 111.069 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -80.31 -20.05 45.18 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.328 1.451 . . . . 74.32 114.291 -175.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.92 -44.17 73.65 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 118.157 0.435 . . . . 71.4 110.09 -177.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 mt -54.76 -33.75 61.69 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.772 1.295 . . . . 74.03 111.851 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mp -74.73 -39.82 61.66 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.704 0.802 . . . . 61.41 111.346 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 54.6 mtmt -62.43 -45.7 91.92 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 110.225 -0.287 . . . . 51.23 110.225 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.29 -41.58 89.29 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.63 1.206 . . . . 62.3 110.808 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.48 ' SD ' HD21 ' A' ' 6' ' ' LEU . 37.8 ttm -62.84 -48.74 77.76 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.07 -0.968 . . . . 72.42 110.506 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.402 HD21 HG11 ' A' ' 78' ' ' VAL . 66.1 mt -65.13 -30.41 71.34 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.433 1.093 . . . . 63.32 112.934 -173.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 54.1 mt-10 -64.09 -37.4 87.3 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.844 0.458 . . . . 74.13 110.532 177.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 80.9 mt -81.53 -35.53 30.23 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.293 0.637 . . . . 54.21 110.654 178.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.55 -35.41 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 123.993 0.917 . . . . 74.0 110.555 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 t -56.38 -35.17 67.41 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.666 0.786 . . . . 64.44 111.353 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -76.62 -37.2 56.76 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 123.901 0.75 . . . . 71.53 109.761 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 36.0 mt -70.67 -41.21 72.38 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.362 1.065 . . . . 65.43 110.857 -176.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.51 83.85 0.19 Allowed Glycine 0 C--N 1.348 1.203 0 O-C-N 124.414 1.071 . . . . 42.43 113.164 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -154.4 169.05 24.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.268 0.627 . . . . 75.51 111.001 173.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -73.8 128.69 36.19 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.858 0.863 . . . . 63.14 111.286 -174.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.402 HG11 HD21 ' A' ' 68' ' ' LEU . 95.2 t -119.27 135.03 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.055 0.942 . . . . 72.12 109.823 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.73 106.93 14.44 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 108.081 -1.081 . . . . 75.23 108.081 174.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.529 ' HG ' HG23 ' A' ' 104' ' ' VAL . 19.0 tp -111.23 136.09 50.82 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.213 0.46 . . . . 64.1 110.002 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.552 HD13 HG21 ' A' ' 116' ' ' ILE . 42.6 tp -132.67 128.27 36.65 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.36 1.064 . . . . 34.15 109.322 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.41 HD11 ' HD1' ' A' ' 93' ' ' PHE . 61.3 mt -109.14 137.23 47.35 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.422 1.089 . . . . 75.43 108.203 176.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -148.26 118.55 7.32 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.515 0.326 . . . . 62.04 110.598 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.492 ' HB3' HD11 ' A' ' 90' ' ' LEU . 27.0 t70 -175.37 161.53 2.76 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.453 1.101 . . . . 65.33 108.857 173.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -62.59 -37.96 88.26 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.449 1.1 . . . . 71.4 111.864 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.76 77.98 5.22 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.72 0.771 . . . . 64.11 109.79 173.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.71 -15.77 58.05 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 114.645 -1.161 . . . . 74.12 111.436 -177.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -58.14 -57.82 11.15 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.851 0.861 . . . . 74.11 110.981 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -72.01 -28.53 63.45 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.578 -0.737 . . . . 74.14 111.327 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' ' 84' ' ' ASP . 83.2 mt -71.45 -31.89 67.7 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.742 0.651 . . . . 75.23 110.42 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.31 -45.98 85.53 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.931 -0.766 . . . . 73.21 108.931 175.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.17 -47.73 83.2 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.083 -0.962 . . . . 72.01 110.222 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.41 ' HD1' HD11 ' A' ' 82' ' ' LEU . 43.5 t80 -54.69 -51.43 65.56 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.695 1.198 . . . . 73.4 110.661 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -71.29 -22.59 61.93 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 115.716 -0.675 . . . . 71.43 111.566 -176.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -63.23 -43.97 96.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.331 0.252 . . . . 65.15 110.585 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -55.83 21.25 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.667 0.604 . . . . 62.01 109.889 176.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.529 HG22 ' HB2' ' A' ' 102' ' ' TYR . 38.2 mm -62.59 -37.71 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 124.002 0.814 . . . . 61.34 111.921 -170.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.01 -34.33 71.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.325 0.65 . . . . 73.42 110.499 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.8 t -74.17 -27.19 60.71 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.358 0.663 . . . . 34.0 110.395 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -76.56 -7.35 55.02 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.966 0.906 . . . . 72.43 111.405 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.81 21.25 19.21 Favored Glycine 0 C--N 1.347 1.194 0 CA-C-O 120.079 -0.289 . . . . 75.0 113.575 172.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.529 ' HB2' HG22 ' A' ' 97' ' ' ILE . 62.2 m-85 -106.24 146.8 29.86 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 109.507 -0.553 . . . . 73.42 109.507 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -77.19 116.02 17.46 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 108.456 -0.942 . . . . 71.44 108.456 173.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.529 HG23 ' HG ' ' A' ' 80' ' ' LEU . 3.6 p -138.35 127.63 32.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 CA-C-O 121.956 0.884 . . . . 74.24 110.136 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -112.53 150.98 30.54 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 114.243 -1.344 . . . . 70.24 107.895 177.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.441 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -133.32 115.01 14.39 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.313 -0.625 . . . . 72.23 109.313 -177.594 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 113' ' ' ALA . 25.2 m -124.72 -179.76 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.666 1.186 . . . . 61.53 110.418 -176.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.8 p -127.83 -49.65 1.36 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.23 1.012 . . . . 74.41 110.065 175.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.84 154.53 38.22 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.553 0.741 . . . . 63.41 112.285 -174.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.401 ' HA ' HD13 ' A' ' 14' ' ' LEU . 5.3 t70 -65.65 -54.68 24.26 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 114.403 -1.272 . . . . 60.21 110.654 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.96 -36.43 83.45 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 123.929 0.768 . . . . 74.35 110.879 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.527 ' O ' HG12 ' A' ' 116' ' ' ILE . 13.9 tp10 -64.51 -41.16 96.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.891 0.876 . . . . 72.41 110.242 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.431 ' HB2' HG21 ' A' ' 107' ' ' VAL . . . -68.7 -43.74 75.39 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.267 0.627 . . . . 23.51 112.545 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.47 -35.89 76.96 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.449 0.7 . . . . 64.52 110.514 178.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -60.58 -47.72 84.95 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 123.937 0.895 . . . . 75.53 109.703 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.552 HG21 HD13 ' A' ' 81' ' ' LEU . 45.1 mm -66.52 -31.99 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 123.93 0.769 . . . . 74.3 112.141 -175.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.15 -41.08 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.714 0.406 . . . . 73.24 110.03 172.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -73.16 -26.36 61.16 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.809 0.843 . . . . 75.21 111.085 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -63.62 -46.84 83.91 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.509 0.724 . . . . 74.34 109.069 171.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -59.16 -34.55 72.22 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.323 1.049 . . . . 71.22 111.881 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 24.6 mmt -61.29 -30.4 70.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.464 0.706 . . . . 71.31 112.196 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -66.53 -43.77 84.26 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.493 0.717 . . . . 42.44 110.58 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 11.1 mptt -78.9 -32.38 45.71 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.555 -0.748 . . . . 73.22 110.283 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.62 -37.25 70.93 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.593 0.757 . . . . 50.53 110.721 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.79 -39.96 95.42 Favored Glycine 0 C--N 1.346 1.094 0 CA-C-N 115.265 -0.88 . . . . 73.55 110.959 171.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.3 t -62.65 -24.55 67.67 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.102 0.961 . . . . 72.23 111.703 176.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 88.2 mt . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.335 -0.617 . . . . 71.44 109.335 174.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 107.843 -1.169 . . . . 60.13 107.843 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -155.16 119.26 4.63 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 109.758 -0.46 . . . . 54.43 109.758 -171.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.565 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 72.2 mt -99.35 117.06 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.604 0.762 . . . . 70.13 109.616 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.535 ' HB2' HG22 ' A' ' 78' ' ' VAL . 8.4 mp -112.0 146.82 37.2 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.032 0.933 . . . . 73.42 109.204 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.9 mt -123.62 106.43 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 107.206 -1.405 . . . . 62.24 107.206 166.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.408 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -85.53 132.58 34.17 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.187 0.995 . . . . 74.21 108.411 -178.011 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mm -127.45 117.73 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.041 -0.726 . . . . 64.5 109.041 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.586 ' HB2' HD21 ' A' ' 64' ' ' LEU . 52.1 t-20 -118.7 102.1 8.59 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 107.655 -1.239 . . . . 72.22 107.655 170.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.446 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.7 t -131.53 136.39 47.83 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.051 -0.722 . . . . 75.55 109.051 169.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -74.29 -15.58 60.96 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.542 0.737 . . . . 75.24 110.751 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -85.16 107.07 17.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.255 1.022 . . . . 73.54 109.631 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.593 ' HA ' HD12 ' A' ' 15' ' ' ILE . 30.2 m-20 -64.18 -34.95 79.26 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.463 0.705 . . . . 73.3 111.661 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -63.21 -38.72 92.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.295 0.638 . . . . 75.24 110.812 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 tp -71.23 -33.55 69.97 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.164 0.586 . . . . 64.45 110.495 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.66 HD13 ' HE2' ' A' ' 57' ' ' LYS . 92.2 mt -59.19 -46.76 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 123.458 0.703 . . . . 63.22 110.399 174.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 75.2 mmtt -57.18 -38.54 73.79 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.493 0.717 . . . . 75.02 111.274 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -76.58 -42.2 43.49 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.225 -0.898 . . . . 52.44 111.628 -175.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.5 mt -68.73 -33.6 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.285 0.634 . . . . 71.14 110.073 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.445 ' HE2' HG11 ' A' ' 29' ' ' VAL . 9.2 mtpm? -56.0 -63.85 1.05 Allowed 'General case' 0 C--N 1.358 0.965 0 CA-C-N 115.778 -0.646 . . . . 73.03 109.406 171.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.59 -23.95 66.96 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.975 0.51 . . . . 72.32 112.154 -176.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.41 -53.81 53.14 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.004 0.922 . . . . 75.12 109.904 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 m -83.47 -23.85 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 CA-C-N 115.06 -0.973 . . . . 74.03 112.292 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -72.42 -28.28 62.87 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.27 0.628 . . . . 71.42 110.747 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -69.3 -16.6 63.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.952 0.501 . . . . 63.23 110.959 170.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -111.09 18.65 19.2 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.068 0.947 . . . . 73.25 110.344 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.64 15.69 77.33 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 115.892 1.117 . . . . 52.41 115.892 167.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -80.14 133.49 36.07 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 118.46 1.13 . . . . 71.41 110.409 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.2 132.63 34.26 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.832 -0.803 . . . . 61.33 108.832 174.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.445 HG11 ' HE2' ' A' ' 19' ' ' LYS . 58.9 t -85.56 128.2 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 109.771 -0.455 . . . . 75.43 109.771 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -131.18 109.0 10.11 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 106.804 -1.554 . . . . 64.54 106.804 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -115.83 118.91 34.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.82 0.848 . . . . 74.34 112.078 -164.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.7 t -72.32 111.07 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.501 1.121 . . . . 71.15 110.103 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.617 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 3.7 m-20 -96.57 -19.27 19.19 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.984 0.513 . . . . 74.32 111.597 179.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -162.81 172.2 15.56 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.73 0.812 . . . . 74.24 109.487 -173.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -61.0 -39.94 91.61 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.095 0.958 . . . . 73.14 111.535 173.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.5 -46.03 90.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.265 1.026 . . . . 62.42 109.922 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.617 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 19.3 mm-40 -60.29 -44.18 95.62 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 115.24 -0.891 . . . . 71.41 110.568 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.4 tp -55.34 -58.64 6.88 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 124.382 1.052 . . . . 74.43 110.976 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -35.14 79.74 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 123.751 0.657 . . . . 64.23 111.218 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -59.43 -46.17 89.48 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.691 0.397 . . . . 64.35 111.775 175.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.5 pt-20 -84.66 -18.59 34.88 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.395 -0.366 . . . . 73.25 111.534 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 80.9 mmm -67.94 -32.41 72.84 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.191 0.596 . . . . 75.12 110.383 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -63.65 -37.42 87.27 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.94 -0.393 . . . . 75.1 109.94 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 31.3 mmmt -67.81 -29.84 69.12 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 120.726 0.298 . . . . 73.22 111.32 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 64.8 mt -82.75 -31.38 28.4 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.396 0.679 . . . . 71.35 111.449 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.12 -50.64 5.73 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.744 0.818 . . . . 61.32 112.675 -172.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.23 -64.12 0.95 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.129 0.571 . . . . 71.33 109.629 -174.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 1.9 pm0 -86.28 87.35 7.41 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.301 1.048 . . . . 74.34 108.517 171.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -91.43 37.19 0.94 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.722 1.209 . . . . 74.31 110.19 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -64.22 153.05 39.17 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.433 1.493 . . . . 74.31 111.383 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -70.27 93.39 0.84 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.436 -0.579 . . . . 64.53 109.436 177.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -148.79 145.83 27.74 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-N 114.772 -1.104 . . . . 74.32 108.968 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.565 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 33.8 mtmm -109.41 101.92 10.85 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.669 -0.696 . . . . 73.23 109.661 -176.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -106.59 132.34 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.09 0.956 . . . . 74.45 110.45 -175.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.73 117.26 21.26 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.266 -1.012 . . . . 73.5 108.266 166.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mm -92.6 147.08 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 108.575 -0.898 . . . . 70.34 108.575 170.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.66 ' HE2' HD13 ' A' ' 15' ' ' ILE . 14.1 tmtt? -135.85 134.12 38.51 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.259 -1.015 . . . . 75.05 108.259 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -158.05 173.94 15.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.285 0.634 . . . . 62.13 109.875 -177.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -132.65 -50.41 0.91 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.102 0.961 . . . . 74.32 110.612 -169.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -92.09 132.42 36.6 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.098 -0.501 . . . . 62.03 110.9 -172.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -54.1 -34.49 60.37 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.946 1.298 . . . . 61.33 113.512 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -67.12 -41.32 86.37 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 123.528 0.518 . . . . 74.13 109.757 -173.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.46 -38.29 83.73 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.678 0.791 . . . . 74.41 111.083 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.586 HD21 ' HB2' ' A' ' 8' ' ' ASN . 7.1 mp -72.6 -40.29 66.64 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.352 0.661 . . . . 74.05 111.211 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mmmp? -59.31 -58.28 9.31 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.514 0.509 . . . . 73.4 109.792 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -60.96 -36.29 79.01 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.636 1.174 . . . . 72.21 111.444 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.2 ttm -59.02 -58.6 7.93 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.607 0.763 . . . . 73.12 110.111 174.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.43 HD12 HD12 ' A' ' 97' ' ' ILE . 96.2 mt -72.87 -23.55 60.75 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.39 1.076 . . . . 75.43 113.24 -170.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -74.22 -29.83 61.9 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.857 0.463 . . . . 73.22 110.587 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.4 mt -80.52 -38.99 28.68 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.925 -0.579 . . . . 71.35 110.304 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.6 mt -66.95 -31.14 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.775 0.83 . . . . 53.44 110.408 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -61.24 -28.29 69.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.507 0.723 . . . . 65.53 111.041 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -85.68 -38.6 18.15 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.828 0.851 . . . . 75.04 111.0 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.31 -35.67 80.98 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.491 0.717 . . . . 73.5 111.143 -177.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.3 74.36 0.99 Allowed Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.667 -0.697 . . . . 43.31 113.726 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -155.43 177.67 11.1 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.344 0.658 . . . . 73.52 110.416 168.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.474 ' HG3' HD13 ' A' ' 127' ' ' LEU . 75.2 mmtt -88.65 134.74 33.8 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.965 0.906 . . . . 74.34 111.552 -170.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 4' ' ' LEU . 46.3 t -138.23 131.58 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.171 0.989 . . . . 74.12 108.837 170.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -114.61 108.85 17.37 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.479 -0.934 . . . . 72.14 108.479 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' ' 6' ' ' LEU . 33.9 tp -99.81 134.32 42.89 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.13 0.491 . . . . 63.01 111.342 -173.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.48 HD13 HG21 ' A' ' 116' ' ' ILE . 45.3 tp -120.96 136.82 54.88 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.325 1.05 . . . . 73.34 108.744 172.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 8' ' ' ASN . 74.9 mt -121.6 130.54 53.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.186 0.995 . . . . 62.03 109.045 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -147.79 110.12 4.61 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.867 0.467 . . . . 71.44 111.113 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.579 ' HB3' HD11 ' A' ' 90' ' ' LEU . 16.3 t70 -164.16 157.62 18.24 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.894 0.877 . . . . 62.13 109.147 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -54.2 -41.33 68.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.846 1.258 . . . . 64.44 111.802 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.62 76.42 7.49 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 108.558 -0.904 . . . . 63.41 108.558 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -39.44 90.85 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 114.581 -1.19 . . . . 71.43 112.775 -169.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -76.58 -22.76 53.81 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.924 0.49 . . . . 71.11 110.247 -171.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.13 -47.49 82.56 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.953 0.901 . . . . 64.2 109.79 170.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 84' ' ' ASP . 87.5 mt -72.89 -31.39 64.65 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.491 -1.232 . . . . 64.43 111.104 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 43.6 tt0 -67.17 -41.52 85.83 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.489 0.716 . . . . 72.22 109.641 178.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.413 ' HG2' ' NH1' ' A' ' 95' ' ' ARG . 0.6 OUTLIER -68.48 -40.42 80.98 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.579 0.752 . . . . 71.14 109.629 177.694 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -61.0 -49.89 75.59 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.862 -1.063 . . . . 71.01 111.591 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.443 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.64 -21.5 66.11 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.436 0.694 . . . . 62.14 111.731 -174.46 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 80.5 mtt180 -63.32 -46.84 84.8 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.126 0.571 . . . . 74.44 109.965 173.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.95 -29.67 63.27 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.267 1.027 . . . . 72.22 111.272 -177.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.444 HG22 ' HB2' ' A' ' 102' ' ' TYR . 44.5 mm -73.92 -37.74 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-O 121.136 0.493 . . . . 72.31 109.908 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.17 -31.55 66.04 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.185 0.994 . . . . 62.01 110.439 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 69.2 m -68.41 -34.38 75.91 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.316 0.646 . . . . 74.31 110.572 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -66.47 -27.86 68.13 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.706 0.402 . . . . 71.14 110.604 171.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.8 37.25 3.24 Favored Glycine 0 C--N 1.345 1.048 0 C-N-CA 123.065 0.364 . . . . 61.35 112.612 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.444 ' HB2' HG22 ' A' ' 97' ' ' ILE . 89.9 m-85 -109.86 147.48 33.27 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.893 0.477 . . . . 74.23 110.787 175.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.483 ' HG2' ' HD3' ' A' ' 123' ' ' LYS . 10.3 tp10 -75.9 109.56 9.63 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 114.961 -1.018 . . . . 75.44 108.661 173.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.89 134.49 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.252 0.621 . . . . 75.43 110.652 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.411 ' HB2' HG21 ' A' ' 116' ' ' ILE . 15.8 mmt180 -130.29 155.53 46.16 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.79 0.836 . . . . 71.03 109.489 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -123.6 136.56 54.58 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.132 0.973 . . . . 72.15 109.119 177.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.4 m -132.15 163.81 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.439 1.096 . . . . 75.21 110.201 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.2 p -125.51 -15.71 6.03 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.095 0.958 . . . . 75.33 111.204 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -109.51 152.58 25.25 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.463 0.649 . . . . 62.14 111.119 177.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -51.75 40.59 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.434 -1.257 . . . . 74.23 110.141 176.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -62.5 -27.76 69.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.836 0.854 . . . . 61.24 111.772 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -77.53 -38.75 48.07 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.374 1.069 . . . . 64.43 110.604 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.15 -42.37 94.74 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.278 0.631 . . . . 63.12 111.404 176.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.4 ' HB3' HH12 ' A' ' 118' ' ' ARG . 84.0 mt -64.35 -31.86 73.23 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.764 0.826 . . . . 64.32 111.202 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 63.4 mttp -63.25 -47.06 84.01 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.337 0.655 . . . . 74.3 110.284 173.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.48 HG21 HD13 ' A' ' 81' ' ' LEU . 46.6 mm -69.45 -34.24 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.273 0.629 . . . . 74.32 111.477 -175.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' ' 121' ' ' MET . 82.1 t -54.09 -49.91 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 109.405 -0.591 . . . . 72.45 109.405 171.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.4 HH12 ' HB3' ' A' ' 114' ' ' LEU . 73.1 mtt85 -64.15 -31.94 73.33 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.501 -0.772 . . . . 62.43 112.171 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.88 -46.99 85.28 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.745 0.418 . . . . 43.41 110.219 172.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.494 ' HA ' ' HD2' ' A' ' 123' ' ' LYS . 22.1 m-30 -63.87 -29.13 70.35 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.259 1.024 . . . . 61.15 112.173 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.536 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 98.3 mmm -70.21 -34.46 72.95 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.375 0.67 . . . . 72.42 110.851 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -73.39 -36.31 66.02 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.747 -0.66 . . . . 71.42 110.293 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.494 ' HD2' ' HA ' ' A' ' 120' ' ' PHE . 62.1 mttm -67.05 -47.5 71.15 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.39 1.076 . . . . 54.2 110.541 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.463 ' HA ' HD12 ' A' ' 127' ' ' LEU . . . -65.94 -32.54 74.09 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.055 0.942 . . . . 54.54 110.725 177.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.74 -37.38 76.14 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-N 115.334 -0.848 . . . . 21.23 112.139 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.0 m -65.27 -22.86 66.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.499 0.72 . . . . 75.33 111.453 176.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.474 HD13 ' HG3' ' A' ' 77' ' ' LYS . 30.2 mt . . . . . 0 CA--C 1.544 0.744 0 C-N-CA 123.556 0.742 . . . . 72.12 110.389 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 109.923 -0.399 . . . . 75.32 109.923 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.518 ' HE3' ' HB3' ' A' ' 52' ' ' GLU . 3.1 ttmp? -159.07 153.79 24.6 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.519 -0.919 . . . . 74.3 108.519 172.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.409 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 79.2 mt -119.08 109.55 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.03 0.932 . . . . 73.0 108.874 -178.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.7 mp -105.43 136.79 44.34 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.748 -0.834 . . . . 71.21 108.748 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.5 mt -113.04 114.49 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.189 -1.411 . . . . 73.13 107.189 164.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.495 HD21 ' SD ' ' A' ' 67' ' ' MET . 84.7 mt -88.65 132.5 34.54 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.297 -1.001 . . . . 65.11 108.297 178.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.7 mm -125.49 113.41 34.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.871 -1.159 . . . . 75.22 107.871 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -119.29 97.98 5.93 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.569 -1.641 . . . . 70.43 106.569 168.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 t -132.31 139.7 48.3 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 115.281 -0.872 . . . . 74.3 109.491 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -75.87 -19.74 58.63 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.27 -0.877 . . . . 73.33 109.846 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -75.34 88.36 2.57 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.841 0.857 . . . . 75.32 109.062 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.18 -34.09 76.78 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.812 0.845 . . . . 72.32 111.353 -176.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.35 -40.54 71.38 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.799 1.24 . . . . 71.23 111.515 172.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.9 tp -71.37 -33.65 69.74 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.769 1.227 . . . . 75.14 111.194 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.2 mt -63.23 -39.6 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 122.972 0.509 . . . . 72.2 110.834 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -57.4 -33.19 67.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 123.82 0.7 . . . . 74.14 110.543 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HE2' HD11 ' A' ' 114' ' ' LEU . 49.1 mtpt -81.33 -42.94 19.79 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.806 1.242 . . . . 41.15 110.722 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.72 -36.0 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.945 0.898 . . . . 61.52 109.835 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.606 ' HE2' HG11 ' A' ' 29' ' ' VAL . 8.6 mtpm? -58.83 -57.03 14.84 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.167 -0.924 . . . . 72.1 109.557 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -56.85 -32.24 65.59 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.216 0.606 . . . . 43.54 112.053 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.73 -55.41 23.5 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.263 0.625 . . . . 74.54 111.128 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.0 m -80.91 -22.68 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 112.911 0.708 . . . . 71.24 112.911 -171.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.13 -21.64 60.68 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.662 0.785 . . . . 62.44 110.803 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.94 -18.85 64.88 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.175 0.59 . . . . 63.34 111.019 170.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -108.56 8.78 27.34 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.015 0.926 . . . . 74.2 111.264 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.38 37.39 62.81 Favored Glycine 0 C--N 1.347 1.145 0 N-CA-C 114.287 0.475 . . . . 55.21 114.287 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -75.82 127.21 32.54 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.832 -0.433 . . . . 71.23 109.832 170.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -79.79 114.23 18.55 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.35 -0.982 . . . . 73.11 108.35 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.606 HG11 ' HE2' ' A' ' 19' ' ' LYS . 43.0 t -87.15 127.91 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.859 -0.422 . . . . 75.44 109.859 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HB2' HD13 ' A' ' 56' ' ' ILE . 2.4 mpt_? -117.33 159.49 22.64 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.374 1.07 . . . . 73.42 108.506 170.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -129.84 112.68 13.81 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.377 -0.972 . . . . 64.33 108.377 171.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.637 HG12 HD13 ' A' ' 63' ' ' LEU . 63.3 t -111.7 110.76 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.417 1.087 . . . . 51.14 108.302 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -103.77 -36.76 7.73 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.713 0.805 . . . . 72.3 109.759 175.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -117.0 158.83 23.46 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.543 0.737 . . . . 74.11 110.658 -173.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.2 t -65.75 -21.84 66.55 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.606 1.162 . . . . 62.21 112.022 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 18.4 t70 -60.11 -58.88 6.64 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 123.476 0.71 . . . . 65.25 109.358 170.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.71 -27.57 67.99 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.626 1.204 . . . . 75.41 111.275 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.3 tp -65.28 -61.5 2.09 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.484 0.714 . . . . 63.5 110.474 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -68.38 -25.08 64.89 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 123.541 0.525 . . . . 72.43 111.997 -172.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 4.5 mmmp? -62.34 -48.24 80.68 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.715 0.635 . . . . 74.53 110.036 175.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 62.8 mm-40 -77.8 -27.23 50.09 Favored 'General case' 0 C--N 1.348 0.5 0 N-CA-C 112.337 0.495 . . . . 72.03 112.337 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.463 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 93.2 mmm -66.57 -31.29 71.9 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.119 0.168 . . . . 62.41 110.651 174.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -61.41 -48.59 80.5 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 109.285 -0.635 . . . . 73.32 109.285 169.763 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -57.59 -36.75 72.15 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.905 0.882 . . . . 74.33 111.279 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 51.5 mt -70.31 -36.77 74.53 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.699 0.8 . . . . 62.41 110.638 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.9 -36.96 64.8 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.677 0.791 . . . . 72.33 112.192 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 6.3 mm-40 -75.47 -61.85 1.77 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.887 -0.783 . . . . 64.22 108.887 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -93.43 93.78 8.33 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 108.623 -0.88 . . . . 64.04 108.623 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.685 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -101.22 8.93 42.35 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.29 1.036 . . . . 73.44 109.75 173.421 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -65.01 162.71 16.11 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.773 1.229 . . . . 72.45 110.247 168.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.01 129.53 41.88 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 120.957 0.408 . . . . 72.4 111.508 -175.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 11.3 tp10 -159.54 158.84 32.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.156 -0.929 . . . . 73.42 109.104 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 57.0 mtmt -125.57 115.67 20.54 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.198 -1.038 . . . . 75.12 108.198 175.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.5 mt -127.44 125.9 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.165 0.986 . . . . 52.21 109.829 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.3 tp -86.46 131.92 34.06 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.22 -1.03 . . . . 73.42 108.22 169.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.405 HD13 ' HB2' ' A' ' 30' ' ' ARG . 30.5 mm -115.47 122.11 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 108.719 -0.845 . . . . 64.12 108.719 172.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -96.52 140.26 31.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.318 1.047 . . . . 72.45 109.053 171.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.435 ' HB2' HD11 ' A' ' 64' ' ' LEU . 68.8 m -149.43 144.74 26.54 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.21 0.604 . . . . 43.42 111.214 174.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -102.51 -2.32 28.84 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.209 1.004 . . . . 75.33 110.223 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.437 ' HB3' HD12 ' A' ' 63' ' ' LEU . 24.1 t70 -118.82 139.11 52.14 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.031 0.932 . . . . 61.0 109.685 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.51 -36.15 38.95 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.596 0.758 . . . . 73.51 112.424 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -69.21 -34.51 74.99 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.879 0.871 . . . . 71.32 110.99 -169.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.637 HD13 HG12 ' A' ' 32' ' ' VAL . 86.0 mt -52.27 -40.1 61.3 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.883 0.873 . . . . 75.3 111.587 176.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 58' ' ' SER . 6.6 mp -70.57 -40.1 73.52 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.33 1.052 . . . . 74.05 110.489 -176.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -61.72 -56.47 19.28 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.196 -0.668 . . . . 74.23 109.196 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -54.62 -43.28 72.13 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 125.045 1.466 . . . . 75.51 110.953 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.495 ' SD ' HD21 ' A' ' 6' ' ' LEU . 33.9 ttm -60.12 -53.04 62.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.169 0.987 . . . . 74.33 110.423 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.412 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 96.6 mt -68.82 -26.91 65.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.218 1.007 . . . . 74.25 112.19 -175.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.78 -30.36 64.04 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.181 0.592 . . . . 61.51 110.4 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.6 mt -84.12 -28.25 27.62 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.616 0.766 . . . . 73.31 110.732 174.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.469 HD13 HG21 ' A' ' 78' ' ' VAL . 70.2 mt -73.17 -22.43 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.052 0.941 . . . . 72.12 109.861 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.9 t -57.67 -31.3 66.2 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.343 0.657 . . . . 74.42 111.169 171.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -73.6 -33.57 64.67 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.528 0.731 . . . . 74.01 111.457 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -81.61 -48.42 11.77 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.128 0.571 . . . . 65.45 111.159 -174.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.42 73.74 1.15 Allowed Glycine 0 C--N 1.343 0.938 0 C-N-CA 123.391 0.52 . . . . 51.43 113.53 172.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -149.49 174.18 12.77 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.172 0.589 . . . . 75.41 111.18 174.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -73.45 120.79 19.54 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.989 0.916 . . . . 73.12 111.105 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.469 HG21 HD13 ' A' ' 71' ' ' ILE . 42.1 t -124.94 139.28 51.52 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.813 -0.81 . . . . 71.21 108.813 169.102 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -107.33 157.93 17.55 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.972 1.309 . . . . 70.22 108.388 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 81' ' ' LEU . 18.6 tp -148.36 136.2 20.85 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.061 0.458 . . . . 54.41 110.578 177.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.428 HD21 ' HB1' ' A' ' 113' ' ' ALA . 41.8 tp -125.11 133.37 52.88 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.448 1.099 . . . . 72.53 109.239 174.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.545 ' HB3' HD22 ' A' ' 90' ' ' LEU . 75.0 mt -121.06 124.75 45.58 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.267 1.027 . . . . 64.51 108.708 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.438 ' HB2' HG23 ' A' ' 107' ' ' VAL . . . -142.94 110.62 5.85 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 118.421 0.555 . . . . 73.33 110.742 178.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' HB3' HD11 ' A' ' 90' ' ' LEU . 24.0 t70 -159.51 162.72 35.55 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.037 0.535 . . . . 72.14 110.079 -177.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.36 -47.32 81.93 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.944 1.298 . . . . 62.31 110.522 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -78.37 83.03 4.62 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.638 -1.245 . . . . 71.53 107.638 173.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.56 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -73.43 -21.21 60.53 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.579 -1.191 . . . . 74.31 110.808 -179.353 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -71.35 -43.19 67.43 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.491 1.116 . . . . 72.31 111.016 -174.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -68.56 -31.8 71.27 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 123.502 0.501 . . . . 74.45 110.649 178.124 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 82' ' ' LEU . 78.8 mt -69.08 -39.76 78.87 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.604 0.761 . . . . 75.31 110.455 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.461 ' HB2' ' HZ3' ' A' ' 106' ' ' LYS . 35.6 tt0 -69.28 -35.19 75.79 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.492 0.495 . . . . 75.23 110.352 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -69.55 -45.67 68.2 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.936 0.894 . . . . 74.51 109.482 176.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.429 ' HD2' HD11 ' A' ' 82' ' ' LEU . 55.8 t80 -62.55 -46.71 87.11 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.934 1.294 . . . . 64.12 111.079 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -34.55 78.58 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.531 -0.758 . . . . 64.44 110.365 -173.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -62.08 -33.34 74.23 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.388 0.675 . . . . 73.53 111.88 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -72.6 -45.01 61.21 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.816 0.846 . . . . 54.23 110.597 176.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.1 mm -66.84 -33.15 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-O 122.025 0.917 . . . . 72.11 110.552 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.45 -35.56 68.3 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.503 1.521 . . . . 73.23 110.118 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -72.31 -30.11 64.48 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.783 -1.099 . . . . 63.22 110.418 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 97.9 mt-30 -66.98 -19.72 65.76 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.133 0.573 . . . . 65.12 111.23 173.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.44 27.53 9.13 Favored Glycine 0 C--N 1.348 1.245 0 C-N-CA 122.845 0.26 . . . . 44.42 112.556 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -109.1 144.28 37.34 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.323 0.649 . . . . 73.23 110.013 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -72.99 113.12 9.66 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 108.779 -0.823 . . . . 63.21 108.779 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.4 p -139.18 142.22 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.056 0.543 . . . . 55.31 109.935 -175.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -133.72 139.04 46.15 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.549 0.74 . . . . 75.04 109.911 -177.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.56 ' HE3' ' HB2' ' A' ' 87' ' ' GLU . 1.7 tmtp? -102.69 122.86 45.29 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.827 1.251 . . . . 73.4 108.101 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.438 HG23 ' HB2' ' A' ' 83' ' ' ALA . 33.1 m -137.93 -178.97 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.892 1.277 . . . . 70.24 109.657 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 m -148.9 -42.38 0.15 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.561 0.745 . . . . 74.1 109.618 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.04 154.04 31.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.82 0.848 . . . . 75.14 111.143 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.56 -60.26 2.88 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.593 1.157 . . . . 73.53 111.852 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.15 -21.18 56.88 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 120.619 0.247 . . . . 73.22 110.76 -174.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.502 ' O ' HG12 ' A' ' 116' ' ' ILE . 42.8 tt0 -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 115.592 -0.731 . . . . 64.33 110.046 170.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.428 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -61.91 -44.5 96.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 122.53 0.332 . . . . 74.12 111.24 175.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.434 HD11 ' HE2' ' A' ' 17' ' ' LYS . 96.1 mt -62.93 -38.18 90.0 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.411 0.684 . . . . 60.41 112.042 -176.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 14.0 ptmm? -74.54 -26.58 60.05 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.646 0.378 . . . . 75.45 110.955 -177.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 112' ' ' GLU . 37.5 mm -73.01 -42.96 59.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 123.548 0.739 . . . . 62.33 110.543 175.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 113' ' ' ALA . 93.4 t -56.07 -40.19 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.398 0.679 . . . . 74.1 110.092 175.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 99.9 mtt180 -64.46 -32.69 74.43 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.443 -0.799 . . . . 70.43 111.638 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.85 -48.3 74.83 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 110.346 -0.242 . . . . 70.12 110.346 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 22.8 m-30 -54.91 -36.51 65.28 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.496 0.719 . . . . 73.25 111.57 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 78.6 mtp -73.02 -31.24 64.33 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.044 0.938 . . . . 72.5 111.073 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 84.9 mm-40 -67.37 -43.67 80.86 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.307 0.643 . . . . 70.13 110.828 175.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 3.8 mptp? -62.03 -46.13 90.51 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 109.203 -0.666 . . . . 74.5 109.203 173.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.571 ' HA ' HD12 ' A' ' 127' ' ' LEU . . . -61.89 -41.57 98.04 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.314 1.046 . . . . 63.1 112.533 -171.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.1 -48.69 84.85 Favored Glycine 0 C--N 1.346 1.119 0 N-CA-C 111.102 -0.799 . . . . 72.32 111.102 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.0 m -60.41 -29.14 68.79 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.44 1.096 . . . . 73.4 112.516 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 124' ' ' ALA . 75.2 mt . . . . . 0 N--CA 1.486 1.34 0 C-N-CA 123.478 0.711 . . . . 71.42 110.938 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.678 -0.49 . . . . 65.21 109.678 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.482 ' HE3' HD11 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -160.01 168.1 26.4 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.395 1.078 . . . . 72.13 108.852 172.409 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.611 HD13 ' HB1' ' A' ' 124' ' ' ALA . 75.8 mt -110.09 123.06 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 109.158 -0.682 . . . . 61.32 109.158 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.482 HD11 ' HE3' ' A' ' 2' ' ' LYS . 9.6 mp -122.21 121.81 37.69 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.814 -0.81 . . . . 74.23 108.814 168.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.6 mt -106.63 112.17 38.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.506 -1.294 . . . . 70.41 107.506 169.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.508 HD21 ' SD ' ' A' ' 67' ' ' MET . 85.7 mt -87.02 124.3 33.05 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.884 0.874 . . . . 73.45 109.031 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.433 HG13 HG21 ' A' ' 18' ' ' ILE . 46.0 mm -111.84 116.08 51.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 108.646 -0.872 . . . . 71.45 108.646 173.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.431 ' OD1' ' HG2' ' A' ' 61' ' ' LYS . 28.1 t-20 -124.56 104.67 8.84 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 108.185 -1.043 . . . . 70.12 108.185 169.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 4.5 t -130.94 143.95 51.11 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.844 -0.616 . . . . 74.2 111.09 175.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -65.65 -24.36 67.01 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.731 1.212 . . . . 63.12 109.693 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -95.71 93.97 7.42 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.445 1.098 . . . . 65.01 109.383 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.08 -25.49 68.13 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.225 0.61 . . . . 74.11 111.096 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.65 -42.33 98.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.945 0.898 . . . . 72.44 111.178 174.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.54 -34.49 74.2 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.965 0.906 . . . . 74.41 111.045 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.36 -41.31 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.083 0.553 . . . . 71.22 111.495 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 66.9 mttm -50.93 -43.67 60.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 123.719 0.637 . . . . 75.44 110.867 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.64 -42.17 71.2 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.292 -1.322 . . . . 73.32 110.265 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.433 HG21 HG13 ' A' ' 7' ' ' ILE . 83.0 mt -63.44 -33.34 60.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 123.801 0.84 . . . . 72.43 111.155 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 25.1 mtpp -62.84 -53.73 49.68 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.568 0.747 . . . . 74.24 110.175 177.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -63.74 -32.81 74.43 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.256 -0.884 . . . . 73.31 110.013 -178.318 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.79 -48.93 72.69 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.915 1.286 . . . . 64.51 110.88 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.6 HG11 HD13 ' A' ' 55' ' ' LEU . 26.3 m -73.4 -24.29 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 115.935 -0.575 . . . . 74.44 111.979 -176.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 50.1 mt-10 -61.68 -27.39 68.65 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.978 0.511 . . . . 74.53 111.775 173.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -68.52 -17.19 64.11 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.808 0.443 . . . . 73.14 111.981 176.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -111.34 -3.38 15.3 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.617 0.767 . . . . 71.35 111.448 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.43 32.43 22.43 Favored Glycine 0 C--N 1.351 1.387 0 O-C-N 123.31 0.381 . . . . 64.54 113.894 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.571 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 4.3 m-85 -88.19 141.27 28.7 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.203 0.601 . . . . 64.31 110.041 174.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.71 167.73 17.92 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.853 -1.067 . . . . 65.5 108.304 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.9 t -127.59 128.8 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 108.38 -0.97 . . . . 64.5 108.38 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.649 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -121.22 111.57 17.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.277 1.031 . . . . 74.33 109.638 -177.356 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.62 111.9 19.53 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.352 0.596 . . . . 73.01 110.916 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.51 HG12 HD13 ' A' ' 63' ' ' LEU . 89.9 t -102.72 108.62 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.467 -1.242 . . . . 62.32 107.883 167.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.47 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 26.0 m-80 -93.19 -36.82 12.42 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.023 0.929 . . . . 73.23 110.511 -178.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' H ' ' HB2' ' A' ' 37' ' ' GLU . 38.9 t70 -141.63 172.86 12.11 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.323 -0.853 . . . . 73.44 110.364 -166.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -58.47 -35.83 72.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.736 1.214 . . . . 73.12 112.179 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.75 -49.55 67.97 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.509 0.724 . . . . 73.41 109.617 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 8.8 mm-40 -56.69 -40.13 75.05 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 124.15 0.906 . . . . 73.43 110.721 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' A' ' 66' ' ' GLU . 43.8 tp -60.49 -61.23 2.75 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.898 0.879 . . . . 70.54 110.079 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -64.04 -36.03 82.65 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 124.108 0.88 . . . . 71.23 111.454 -171.228 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -56.46 -51.84 66.91 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 122.755 0.422 . . . . 75.45 109.943 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 11.1 mm-40 -73.44 -24.44 60.24 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 115.344 -0.844 . . . . 73.13 110.83 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.74 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 74.8 mmm -70.39 -35.42 73.48 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 118.64 -0.695 . . . . 73.31 112.102 -178.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -59.48 -43.8 93.2 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 109.485 -0.561 . . . . 60.42 109.485 170.13 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.498 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 11.3 mmpt? -60.31 -61.07 2.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.826 0.704 . . . . 74.31 110.366 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.467 HD13 HD21 ' A' ' 4' ' ' LEU . 51.6 mt -55.76 -30.34 61.09 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.116 1.366 . . . . 60.21 111.962 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.2 -47.67 41.64 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 123.191 0.596 . . . . 50.32 111.252 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 36.5 mm-40 -68.29 -22.54 64.72 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.511 0.724 . . . . 74.1 111.525 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 44' ' ' LYS . 50.1 mt-10 -74.26 91.12 2.13 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.451 0.7 . . . . 74.5 111.034 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -85.37 -16.12 40.94 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.661 0.784 . . . . 73.11 109.963 169.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -66.58 142.45 57.48 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.603 0.761 . . . . 75.44 110.531 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -75.8 118.17 18.32 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.501 -0.772 . . . . 73.44 109.607 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -155.39 143.88 20.37 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.143 0.497 . . . . 52.12 110.501 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.593 ' HG2' HD12 ' A' ' 3' ' ' ILE . 18.0 mtmm -91.04 108.41 19.84 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 125.714 1.606 . . . . 64.25 109.306 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.9 mt -123.91 125.58 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 123.733 0.813 . . . . 72.21 109.766 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.6 HD13 HG11 ' A' ' 22' ' ' VAL . 16.0 tp -90.01 123.14 33.65 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.633 -1.247 . . . . 75.44 107.633 168.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.4 mm -95.24 120.23 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 109.115 -0.698 . . . . 53.45 109.115 173.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -92.98 122.31 35.21 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.813 1.245 . . . . 53.44 108.431 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.576 ' HB3' HD11 ' A' ' 64' ' ' LEU . 36.2 t -158.38 139.05 12.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.075 0.464 . . . . 54.51 110.131 175.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -100.01 -16.1 18.03 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.897 0.879 . . . . 54.34 110.201 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.28 131.6 42.61 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.234 0.614 . . . . 62.13 110.019 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG2' ' OD1' ' A' ' 8' ' ' ASN . 90.5 mttt -79.23 -29.14 42.6 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.652 1.181 . . . . 65.23 112.279 -171.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 14.0 mm100 -69.56 -39.93 77.11 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.073 0.549 . . . . 75.11 110.882 -177.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.51 HD13 HG12 ' A' ' 32' ' ' VAL . 92.3 mt -56.1 -39.73 72.6 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.721 0.808 . . . . 72.33 112.541 -176.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.6 mp -71.76 -30.82 65.99 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.307 0.643 . . . . 73.3 111.073 -177.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 50.8 mtpt -66.2 -49.96 65.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.101 0.561 . . . . 75.22 110.056 175.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 15.9 mm-40 -60.64 -36.55 78.95 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.0 0.92 . . . . 64.45 110.455 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.74 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 44.1 ttm -63.19 -49.34 74.63 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.261 -1.336 . . . . 64.02 110.497 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.478 HD23 HD12 ' A' ' 71' ' ' ILE . 90.5 mt -67.86 -20.72 65.17 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.756 0.823 . . . . 72.02 112.753 -175.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.7 -32.12 65.53 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.916 0.389 . . . . 64.04 110.456 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.3 mt -83.14 -35.4 25.6 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.621 0.768 . . . . 71.54 110.16 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.491 HG21 HG21 ' A' ' 78' ' ' VAL . 57.7 mt -67.76 -26.25 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.879 0.872 . . . . 74.35 110.538 177.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.5 t -55.28 -35.32 64.93 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.748 0.819 . . . . 64.13 111.452 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -75.71 -27.87 58.36 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.701 0.801 . . . . 73.41 111.174 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 71' ' ' ILE . 47.8 mt -84.28 -44.64 13.65 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.975 0.91 . . . . 63.13 110.908 -173.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.1 70.03 1.3 Allowed Glycine 0 C--N 1.349 1.291 0 CA-C-N 116.054 -0.521 . . . . 40.55 114.089 172.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -141.24 159.63 41.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.518 0.727 . . . . 74.43 110.244 172.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -70.61 114.6 8.88 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.943 0.897 . . . . 71.42 110.505 -175.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.491 HG21 HG21 ' A' ' 71' ' ' ILE . 60.1 t -110.7 139.93 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.093 0.957 . . . . 63.23 109.5 176.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -116.82 109.26 16.87 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.164 0.986 . . . . 54.3 109.123 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.468 HD23 HG21 ' A' ' 97' ' ' ILE . 17.6 tp -102.46 127.82 49.34 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.717 0.807 . . . . 74.4 110.091 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.8 tp -111.06 126.36 54.73 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.706 0.803 . . . . 70.1 109.333 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.617 ' HB3' HD22 ' A' ' 90' ' ' LEU . 95.1 mt -107.5 118.95 38.06 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.362 1.065 . . . . 72.43 108.307 174.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -132.24 110.31 10.54 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.99 0.516 . . . . 54.25 109.886 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -141.5 166.13 25.61 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 107.767 -1.197 . . . . 71.51 107.767 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.432 ' HG3' ' H ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -70.62 -6.86 39.9 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.173 0.589 . . . . 72.34 112.15 175.577 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -133.4 118.38 18.36 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.029 0.932 . . . . 71.43 110.351 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.77 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -80.65 -22.39 40.55 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.819 1.248 . . . . 74.23 112.223 -179.218 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.59 -49.28 71.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.784 0.834 . . . . 74.31 110.812 -173.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.44 -39.27 88.81 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.526 0.73 . . . . 63.42 110.585 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' A' ' 82' ' ' LEU . 81.7 mt -63.96 -38.95 92.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.907 0.483 . . . . 73.35 111.63 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.534 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 32.7 tt0 -69.76 -39.64 76.57 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 123.435 0.459 . . . . 64.33 109.77 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.36 -40.4 94.16 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 124.646 1.178 . . . . 72.44 109.766 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.75 -48.01 64.8 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.807 1.243 . . . . 53.24 111.033 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.451 ' HG3' ' HA ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -69.72 -18.62 63.54 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.862 0.465 . . . . 54.22 111.437 -173.061 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 27.6 mmm180 -64.81 -36.95 85.98 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.249 0.62 . . . . 75.31 111.195 175.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.24 -47.7 83.23 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.347 0.659 . . . . 72.22 110.456 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.468 HG21 HD23 ' A' ' 80' ' ' LEU . 34.2 mm -67.39 -38.92 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 114.879 -1.055 . . . . 74.22 110.574 -173.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.03 -31.22 64.31 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.838 1.255 . . . . 61.13 110.523 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.5 t -71.92 -21.37 61.63 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.088 0.555 . . . . 64.32 111.015 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -88.05 -3.37 58.91 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.603 0.761 . . . . 73.11 110.859 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.04 36.74 45.46 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.144 0.277 . . . . 53.22 113.388 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -109.6 142.6 40.47 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.441 0.696 . . . . 75.43 109.979 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -74.23 113.73 11.76 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 123.818 0.847 . . . . 64.4 108.792 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.7 p -138.95 127.52 28.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 O-C-N 123.201 0.313 . . . . 64.43 111.311 -173.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -113.83 142.28 46.29 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.771 0.829 . . . . 54.13 110.02 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.77 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -109.58 123.9 50.23 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.964 1.305 . . . . 71.13 108.892 179.093 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.1 m -139.1 163.05 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 124.304 1.042 . . . . 74.5 109.531 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.5 p -128.23 -10.28 5.26 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.631 0.773 . . . . 51.45 112.347 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -109.04 155.03 21.4 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.574 0.35 . . . . 54.44 110.795 -173.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.6 -60.47 2.69 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.767 1.227 . . . . 61.14 111.435 -175.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.26 -27.07 64.14 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.226 0.329 . . . . 72.3 110.115 -175.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.561 ' O ' HG12 ' A' ' 116' ' ' ILE . 9.0 tp10 -61.75 -48.24 81.59 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 123.937 0.773 . . . . 72.42 109.857 174.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.29 -48.78 76.65 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.173 0.589 . . . . 73.25 111.346 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 64.6 mt -55.15 -39.97 70.08 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.253 1.021 . . . . 70.44 111.386 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -62.52 -47.8 82.32 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.742 1.217 . . . . 72.31 110.434 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 112' ' ' GLU . 46.2 mm -68.7 -31.75 52.15 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 O-C-N 123.951 0.782 . . . . 75.13 111.258 -177.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.23 -47.04 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 123.472 0.709 . . . . 72.33 110.222 173.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -68.18 -36.46 79.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.091 -0.959 . . . . 73.32 110.965 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.78 -34.47 75.61 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.044 -0.525 . . . . 72.24 110.959 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -63.19 -38.78 92.51 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.037 0.535 . . . . 72.23 110.791 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 22' ' ' VAL . 77.3 mtm -73.0 -28.51 62.42 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.726 0.639 . . . . 53.33 112.726 -177.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.94 -34.72 44.18 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.588 0.631 . . . . 64.24 110.485 177.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.37 -30.18 68.12 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 122.941 0.496 . . . . 75.24 110.247 171.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.611 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -77.11 -29.24 54.73 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.4 -0.818 . . . . 73.5 110.685 177.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.32 -24.23 70.53 Favored Glycine 0 C--N 1.349 1.265 0 N-CA-C 112.189 -0.364 . . . . 73.4 112.189 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.9 t -72.71 -21.88 60.98 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.246 1.018 . . . . 72.43 110.569 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 N--CA 1.481 1.111 0 C-N-CA 123.879 0.871 . . . . 73.21 111.283 -178.036 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.731 -0.47 . . . . 74.43 109.731 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.613 ' HZ1' ' HA ' ' A' ' 45' ' ' LEU . 69.2 tttt -158.87 134.46 8.69 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.049 -1.093 . . . . 52.24 108.049 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.414 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 68.4 mt -107.7 123.29 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 122.851 0.46 . . . . 72.53 110.137 -175.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.412 HD21 HD22 ' A' ' 45' ' ' LEU . 11.1 mp -118.98 141.94 48.22 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 108.62 -0.881 . . . . 74.24 108.62 171.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.9 mt -124.75 112.35 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 107.12 -1.437 . . . . 71.14 107.12 167.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.462 ' HB2' HD13 ' A' ' 80' ' ' LEU . 81.8 mt -88.2 137.04 32.68 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.459 -0.941 . . . . 63.1 108.459 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.4 mm -127.95 115.83 40.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 108.112 -1.07 . . . . 64.1 108.112 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -127.94 103.55 7.31 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 107.588 -1.264 . . . . 73.33 107.588 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 8.1 t -129.43 145.35 51.43 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.254 -0.884 . . . . 72.43 109.948 174.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -73.53 -19.59 60.87 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 115.225 -0.898 . . . . 73.51 111.061 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -109.51 115.3 29.66 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.26 0.552 . . . . 74.32 110.369 173.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.74 -19.44 64.34 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.46 0.704 . . . . 73.54 111.498 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -55.54 -38.47 69.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.273 0.629 . . . . 65.1 110.923 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 110' ' ' ASP . 19.4 tp -64.69 -44.86 88.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.105 -0.952 . . . . 63.14 111.229 176.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.521 HG21 ' HD2' ' A' ' 57' ' ' LYS . 57.2 mt -60.16 -41.29 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.796 0.438 . . . . 60.04 110.747 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.508 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 10.5 mtmp? -61.57 -26.9 68.25 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.568 0.542 . . . . 65.25 112.129 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.55 ' HE3' ' HB3' ' A' ' 110' ' ' ASP . 36.7 mtmm -78.93 -46.43 18.4 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.808 0.443 . . . . 64.11 111.413 170.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.18 -32.15 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.207 1.003 . . . . 72.03 111.254 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 28.9 mtpp -57.45 -53.17 61.21 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.418 -0.81 . . . . 64.33 109.608 174.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -65.23 -34.13 77.62 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.628 -0.715 . . . . 75.52 111.017 -175.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.56 -53.89 53.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.597 0.759 . . . . 74.41 110.275 174.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.526 HG11 HD13 ' A' ' 55' ' ' LEU . 19.2 m -76.37 -17.5 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 N-CA-C 112.531 0.567 . . . . 60.33 112.531 -173.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 28.9 mm-40 -62.36 -33.1 74.08 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.406 0.282 . . . . 62.54 111.506 174.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -59.62 -29.48 68.04 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.379 0.672 . . . . 63.11 112.058 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -110.37 8.65 23.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.539 0.736 . . . . 70.41 112.755 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.14 38.32 59.35 Favored Glycine 0 C--N 1.344 0.976 0 N-CA-C 114.425 0.53 . . . . 75.53 114.425 170.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -79.82 157.65 26.98 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 121.105 0.479 . . . . 74.23 110.423 172.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -106.0 113.94 27.79 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.821 1.248 . . . . 70.04 108.023 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.8 t -89.56 124.36 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-O 120.917 0.389 . . . . 64.14 110.407 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HE ' ' HB3' ' A' ' 41' ' ' GLU . 23.8 tpt180 -128.04 118.88 24.29 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.737 1.215 . . . . 73.45 108.568 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -100.91 120.97 40.94 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.444 0.64 . . . . 75.41 110.829 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.425 HG22 ' HG2' ' A' ' 41' ' ' GLU . 42.4 t -88.3 114.1 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 125.118 1.367 . . . . 65.14 109.066 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.458 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 6.0 m120 -91.59 -24.13 19.67 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.459 0.704 . . . . 64.23 111.884 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -161.2 172.15 17.19 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.299 0.639 . . . . 54.33 109.954 -171.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.3 p -63.25 -27.6 69.45 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.591 0.756 . . . . 64.44 111.757 176.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.92 -50.44 68.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.736 0.815 . . . . 74.42 109.1 172.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.458 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 57.5 mm-40 -59.48 -33.28 71.13 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.918 -1.037 . . . . 74.54 111.109 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 67' ' ' MET . 36.3 tp -62.58 -56.19 20.22 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 123.749 0.656 . . . . 73.23 110.639 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -65.79 -29.02 69.46 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 111.599 0.222 . . . . 73.24 111.599 -177.459 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.76 -51.64 68.88 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.871 0.468 . . . . 65.5 111.138 174.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.559 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.17 -24.02 40.66 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.263 -0.426 . . . . 51.44 111.203 -178.06 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.536 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 40.8 mmm -65.09 -30.48 71.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.984 0.514 . . . . 73.43 110.979 174.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.1 -35.61 76.64 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.744 0.307 . . . . 73.24 110.481 170.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -70.36 -27.31 64.24 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.885 0.474 . . . . 72.13 110.562 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.613 ' HA ' ' HZ1' ' A' ' 2' ' ' LYS . 76.9 mt -83.54 -43.49 15.66 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.717 0.807 . . . . 62.33 111.44 178.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.57 -51.08 5.43 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.07 0.767 . . . . 72.51 113.07 -168.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.46 -46.43 76.41 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.688 -0.856 . . . . 72.03 108.688 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -95.82 102.63 14.44 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.044 -0.98 . . . . 51.34 109.922 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -102.52 17.36 23.84 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.817 -0.628 . . . . 55.21 109.759 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -62.94 150.61 41.71 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.147 0.579 . . . . 75.41 109.748 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.08 107.16 1.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 109.879 -0.415 . . . . 52.34 109.879 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -146.15 142.2 28.24 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 123.654 0.782 . . . . 71.01 108.935 175.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 53.8 mtmt -99.72 112.98 25.17 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.149 0.98 . . . . 72.11 108.37 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.7 121.08 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 O-C-N 123.359 0.412 . . . . 61.51 110.442 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.526 HD13 HG11 ' A' ' 22' ' ' VAL . 19.3 tp -84.18 108.39 17.05 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.09 -1.078 . . . . 74.34 108.09 167.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.408 ' HB ' HD23 ' A' ' 6' ' ' LEU . 35.5 mm -91.42 121.93 42.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.896 0.379 . . . . 75.32 110.135 176.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.521 ' HD2' HG21 ' A' ' 15' ' ' ILE . 64.3 tttt -93.37 143.54 26.18 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.073 -1.084 . . . . 64.35 108.073 162.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.414 ' HB3' HD11 ' A' ' 64' ' ' LEU . 34.4 t -153.84 127.77 8.9 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.917 -0.771 . . . . 73.21 108.917 169.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -74.47 -37.49 63.18 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.965 0.791 . . . . 73.4 110.175 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -84.68 128.18 34.47 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.9 -0.591 . . . . 71.31 109.494 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -79.7 -26.62 40.85 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.346 1.058 . . . . 74.51 111.613 -170.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 24.5 mm-40 -72.32 -38.41 68.67 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.596 0.358 . . . . 73.22 110.61 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 38' ' ' LEU . 83.3 mt -53.1 -32.77 49.03 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 124.21 0.944 . . . . 75.11 112.786 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.414 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.1 mp -65.23 -43.43 91.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.266 0.627 . . . . 73.15 111.123 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -66.4 -45.73 78.98 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.573 0.545 . . . . 73.43 110.481 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 6.4 mm-40 -64.75 -31.37 72.57 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.91 0.884 . . . . 74.13 111.007 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.536 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 41.5 ttm -69.64 -54.51 13.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.033 0.933 . . . . 64.15 110.13 175.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.461 HD23 HD12 ' A' ' 71' ' ' ILE . 81.1 mt -60.9 -31.57 71.07 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.049 0.94 . . . . 73.34 112.053 -175.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.16 -47.14 69.03 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.772 1.229 . . . . 75.52 110.266 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.1 mt -81.21 -31.89 33.72 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.107 -0.951 . . . . 62.35 111.459 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.538 HG21 HG21 ' A' ' 78' ' ' VAL . 50.7 mt -61.63 -30.43 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 123.897 0.879 . . . . 62.12 111.33 176.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.3 t -56.4 -31.84 64.25 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.566 0.746 . . . . 72.5 112.016 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.431 ' NZ ' ' HB3' ' A' ' 73' ' ' LYS . 8.2 mtpm? -75.69 -35.94 60.19 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.88 -0.6 . . . . 63.45 111.467 176.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.42 -35.29 77.42 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.392 0.677 . . . . 63.24 111.366 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.74 76.15 0.52 Allowed Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.286 -0.87 . . . . 75.42 113.46 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -151.89 168.76 24.13 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.447 0.699 . . . . 75.31 109.951 171.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -86.44 123.18 31.38 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.411 0.684 . . . . 72.11 109.361 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.538 HG21 HG21 ' A' ' 71' ' ' ILE . 43.2 t -119.58 144.45 28.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 124.519 1.127 . . . . 63.25 109.375 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -106.8 155.9 19.23 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.392 1.077 . . . . 73.02 108.387 172.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' A' ' 6' ' ' LEU . 15.0 tp -147.93 131.74 17.02 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.129 0.572 . . . . 74.43 109.743 176.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.482 HD21 ' HB1' ' A' ' 113' ' ' ALA . 40.8 tp -121.56 124.03 43.39 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.207 -0.906 . . . . 74.32 108.744 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.59 ' HB3' HD22 ' A' ' 90' ' ' LEU . 74.7 mt -110.91 125.98 54.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.634 -1.166 . . . . 71.54 108.157 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -138.37 121.5 16.84 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 121.064 0.459 . . . . 74.54 110.168 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' N ' HD11 ' A' ' 90' ' ' LEU . 35.6 t0 -168.6 150.91 5.06 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 107.06 -1.459 . . . . 72.42 107.06 -176.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -65.45 -34.84 79.24 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 123.735 0.647 . . . . 75.24 109.312 176.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.79 83.54 7.68 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 115.589 -0.732 . . . . 72.23 109.254 171.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.765 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 9.7 pt-20 -75.24 -21.19 58.78 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 114.814 -1.084 . . . . 71.33 112.074 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -62.43 -39.22 92.62 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.875 0.87 . . . . 73.11 110.519 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.4 -46.73 88.93 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.73 -1.123 . . . . 65.34 109.94 173.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 82' ' ' LEU . 45.4 mt -70.14 -28.09 65.07 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 114.741 -1.118 . . . . 51.43 111.436 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' HA ' ' HG3' ' A' ' 94' ' ' LYS . 46.6 mt-10 -70.85 -48.41 54.06 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.488 0.493 . . . . 71.43 110.055 177.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.461 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 3.5 mm-40 -58.18 -37.26 74.4 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.655 0.597 . . . . 73.33 110.847 174.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -57.5 10.91 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.401 1.08 . . . . 74.45 109.6 177.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -71.26 -24.77 62.23 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.674 0.62 . . . . 64.3 112.674 -170.509 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -66.16 -34.75 78.75 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.701 0.4 . . . . 71.41 111.118 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 13.6 mptt -73.58 -52.99 11.59 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.91 0.484 . . . . 75.23 109.815 175.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.508 HG22 ' HB2' ' A' ' 102' ' ' TYR . 40.1 mm -61.71 -42.03 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.778 0.831 . . . . 75.13 111.872 -173.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.68 -41.77 95.82 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.612 0.765 . . . . 72.41 109.994 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.5 t -65.81 -28.66 69.16 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.326 0.65 . . . . 70.0 111.179 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 56.1 mt-30 -80.37 -5.39 56.36 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.889 0.876 . . . . 70.14 111.695 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.17 45.21 4.5 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.194 0.309 . . . . 45.02 112.735 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.508 ' HB2' HG22 ' A' ' 97' ' ' ILE . 92.9 m-85 -124.54 151.06 45.17 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.458 0.703 . . . . 71.11 109.699 175.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -80.38 115.27 19.83 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.249 -1.019 . . . . 74.33 108.249 172.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.453 HG23 ' HG ' ' A' ' 80' ' ' LEU . 4.8 p -139.34 136.37 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 122.902 0.481 . . . . 51.21 110.074 -178.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -129.15 146.66 51.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.104 0.562 . . . . 73.11 110.001 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.765 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.8 OUTLIER -112.19 119.06 37.07 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.773 -1.103 . . . . 55.21 108.315 -179.734 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.6 m -129.77 -176.8 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.519 1.128 . . . . 74.04 109.255 175.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.1 p -131.34 -57.19 1.01 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.353 0.661 . . . . 45.0 110.343 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.72 159.16 22.63 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.388 0.675 . . . . 73.03 111.968 -171.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.55 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . 6.6 m-20 -62.78 -59.36 4.98 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 124.68 1.192 . . . . 71.42 112.832 -176.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.32 -21.34 58.5 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.771 0.319 . . . . 75.23 111.057 -171.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.35 -47.75 75.36 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.214 -0.903 . . . . 73.34 110.024 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.482 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -62.07 -39.33 92.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.082 -0.963 . . . . 65.53 111.885 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.2 -36.78 75.97 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.442 0.697 . . . . 72.04 111.986 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -59.24 -44.22 92.37 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.113 0.565 . . . . 65.34 110.524 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 22.2 mm -72.48 -32.73 42.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.07 -0.968 . . . . 73.15 110.786 -175.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 86.1 t -60.93 -47.64 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.202 0.601 . . . . 74.31 109.587 172.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.453 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 97.4 mtt180 -60.83 -37.89 83.6 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 123.928 0.767 . . . . 73.02 110.882 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.444 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 29.8 mm-40 -61.7 -48.49 80.53 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.697 0.623 . . . . 74.52 110.471 174.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -60.78 -30.13 69.86 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.264 0.626 . . . . 71.11 111.803 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 77.4 mtp -75.78 -27.48 58.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.803 0.841 . . . . 63.21 111.202 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 22.5 mm-40 -73.74 -42.73 60.72 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.483 0.659 . . . . 75.31 109.28 175.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.444 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 53.2 mttm -69.3 -39.89 78.01 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 114.243 -1.344 . . . . 71.12 110.594 -177.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.0 -31.77 66.55 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.78 -0.645 . . . . 60.21 110.239 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.96 -36.75 92.7 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 115.729 -0.668 . . . . 73.45 111.629 171.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.1 m -75.4 -24.04 57.12 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.63 0.772 . . . . 55.21 111.602 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 96.7 mt . . . . . 0 N--CA 1.482 1.131 0 C-N-CA 122.915 0.486 . . . . 75.04 110.447 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 108.305 -0.998 . . . . 62.12 108.305 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -129.12 148.13 51.03 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.722 -0.844 . . . . 70.41 108.722 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.0 mt -91.75 105.65 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.201 -1.037 . . . . 71.21 108.201 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 mp -107.95 135.65 48.97 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.664 -0.865 . . . . 71.2 108.664 174.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.1 mt -123.66 111.12 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 107.62 -1.252 . . . . 74.13 107.62 169.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.585 HD21 ' SD ' ' A' ' 67' ' ' MET . 88.1 mt -89.89 129.73 36.21 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.371 0.668 . . . . 74.44 109.308 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.4 mm -117.92 117.98 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.615 -0.884 . . . . 63.34 108.615 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -129.87 102.57 6.36 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.609 -0.885 . . . . 51.45 108.609 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t -129.81 147.8 51.62 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.058 0.943 . . . . 61.24 110.047 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -62.09 -49.16 77.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.594 0.758 . . . . 73.21 109.898 176.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -86.41 117.1 24.99 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 121.165 0.507 . . . . 71.21 110.278 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.06 -27.25 65.47 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.163 0.985 . . . . 62.32 112.043 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.49 -29.81 68.11 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.694 0.798 . . . . 75.41 112.013 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.64 -41.05 93.05 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.256 -0.429 . . . . 71.15 111.323 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.545 HG21 ' HG2' ' A' ' 57' ' ' LYS . 33.3 mt -60.9 -37.28 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 123.291 0.369 . . . . 74.33 110.175 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -56.82 -39.47 74.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.001 0.92 . . . . 54.24 111.211 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -69.24 -47.79 63.72 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.147 -0.933 . . . . 74.15 110.102 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.69 -35.56 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.507 1.123 . . . . 55.51 111.017 -176.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -61.78 -56.59 17.86 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 115.557 -0.747 . . . . 72.13 110.038 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -68.75 -24.19 64.42 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.482 0.489 . . . . 54.41 111.536 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -62.06 -50.83 70.43 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.079 0.952 . . . . 74.11 110.435 173.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.432 HG12 ' SD ' ' A' ' 121' ' ' MET . 32.4 m -84.32 -25.79 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 115.718 -0.674 . . . . 71.23 112.465 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -68.06 -28.12 67.1 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.466 0.706 . . . . 54.13 111.12 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -54.36 -40.38 68.03 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.239 0.616 . . . . 71.41 110.049 170.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -97.67 11.54 36.72 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 114.791 -1.095 . . . . 75.55 112.696 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.28 37.61 27.7 Favored Glycine 0 C--N 1.346 1.131 0 N-CA-C 114.234 0.454 . . . . 73.44 114.234 171.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -89.78 122.79 33.19 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.807 0.443 . . . . 73.31 109.96 172.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -78.2 113.25 15.98 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.153 0.981 . . . . 62.12 109.284 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 55' ' ' LEU . 38.1 t -94.72 134.49 31.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 122.807 0.443 . . . . 60.54 110.386 -175.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -142.99 150.91 40.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.572 1.149 . . . . 73.0 108.242 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -116.93 150.09 39.08 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.871 0.868 . . . . 64.44 110.604 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.3 t -95.68 122.45 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 N-CA-C 108.262 -1.014 . . . . 42.54 108.262 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.615 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 40.9 m-80 -103.61 -11.08 17.93 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.921 0.489 . . . . 73.24 111.802 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -173.28 170.21 4.32 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.619 0.768 . . . . 75.13 109.922 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 t -62.41 -27.09 68.86 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.753 0.821 . . . . 71.34 110.895 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.45 -50.05 66.84 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.227 1.011 . . . . 72.43 109.231 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.615 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 16.4 mm-40 -63.06 -37.11 85.9 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.729 -1.123 . . . . 74.11 110.762 177.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.447 ' O ' ' HG2' ' A' ' 42' ' ' MET . 49.7 tp -58.25 -53.17 61.26 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 124.75 1.281 . . . . 64.23 110.759 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -69.06 -29.47 67.61 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 111.807 0.299 . . . . 73.51 111.807 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -59.06 -50.55 73.66 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.32 0.387 . . . . 65.4 110.531 172.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 6.1 pt-20 -77.36 -19.0 56.88 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.954 -0.546 . . . . 44.23 111.375 -179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.697 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 83.9 mmm -66.8 -28.96 68.8 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 118.4 0.546 . . . . 74.2 110.868 170.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -38.29 88.59 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 117.331 0.06 . . . . 74.41 111.137 167.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.65 -41.23 92.82 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 120.915 0.388 . . . . 74.23 110.418 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.0 mt -77.93 -46.23 21.79 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.751 0.82 . . . . 54.42 111.561 -175.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.56 -49.89 6.06 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.262 0.625 . . . . 71.42 112.576 -171.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -78.89 -47.45 16.49 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 120.63 0.252 . . . . 65.02 110.662 -172.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -82.78 76.69 9.61 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.852 0.834 . . . . 64.34 109.437 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -80.76 86.19 6.0 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.509 -1.223 . . . . 75.12 109.284 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -136.73 130.83 32.6 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 107.574 -1.269 . . . . 71.4 107.574 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -65.28 117.42 7.81 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.889 0.475 . . . . 55.41 109.908 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -160.22 168.19 25.94 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.33 0.652 . . . . 55.11 110.659 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -100.41 122.65 43.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.272 1.029 . . . . 63.44 109.895 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.9 mt -133.2 129.69 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.716 0.807 . . . . 64.23 109.812 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.426 ' HB3' HG22 ' A' ' 29' ' ' VAL . 26.3 tp -106.66 129.5 54.55 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 108.067 -1.086 . . . . 60.33 108.067 167.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.404 ' HB ' HD23 ' A' ' 6' ' ' LEU . 48.6 mm -108.74 128.12 64.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 109.517 -0.549 . . . . 74.24 109.517 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.545 ' HG2' HG21 ' A' ' 15' ' ' ILE . 13.9 tmtt? -97.7 130.45 44.68 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 124.978 1.311 . . . . 74.25 108.207 177.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.539 ' HB3' HD11 ' A' ' 64' ' ' LEU . 46.8 t -161.5 149.8 15.5 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.317 -0.623 . . . . 63.51 109.317 172.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -115.73 10.26 15.38 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.936 0.894 . . . . 71.21 109.384 173.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -119.18 104.13 10.15 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.272 1.029 . . . . 74.44 109.408 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -58.89 -24.91 62.86 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.493 1.117 . . . . 72.34 112.224 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.538 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 16.0 mm100 -61.43 -46.05 91.75 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.824 1.25 . . . . 71.21 111.92 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.0 mt -64.91 -33.29 75.68 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 114.895 -1.048 . . . . 72.22 110.824 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD11 ' HB3' ' A' ' 58' ' ' SER . 8.5 mp -70.87 -36.94 73.03 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.764 -0.653 . . . . 54.4 110.819 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.538 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 59.2 mtpt -57.95 -55.74 31.03 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.115 0.566 . . . . 73.34 110.457 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.81 -36.97 77.86 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 124.255 0.972 . . . . 75.33 111.278 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.697 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 46.6 ttm -62.32 -52.23 64.49 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.136 -0.938 . . . . 72.44 110.378 176.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.506 HD23 HD12 ' A' ' 71' ' ' ILE . 88.1 mt -68.66 -24.82 64.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.375 1.07 . . . . 72.11 112.215 -174.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 69.8 mm-40 -61.69 -42.28 98.71 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.178 0.513 . . . . 64.43 109.999 173.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.7 mt -83.72 -27.0 29.27 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.749 0.82 . . . . 75.24 111.956 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.506 HD12 HD23 ' A' ' 68' ' ' LEU . 81.0 mt -70.69 -29.93 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.106 0.562 . . . . 74.3 110.163 173.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.7 t -58.34 -25.42 61.93 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.473 0.709 . . . . 61.31 111.677 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -74.68 -34.21 62.62 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.554 0.742 . . . . 75.4 110.16 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 71' ' ' ILE . 40.4 mt -79.43 -49.91 11.61 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.394 1.078 . . . . 54.11 111.646 -174.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.15 89.16 0.31 Allowed Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.048 -0.524 . . . . 64.54 113.122 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -161.02 173.7 14.84 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.638 0.775 . . . . 75.32 110.899 172.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -71.89 111.38 7.1 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 115.246 -0.888 . . . . 53.04 111.353 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 71' ' ' ILE . 63.6 t -112.25 124.66 69.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 107.522 -1.288 . . . . 74.0 107.522 166.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -101.33 107.27 18.58 Favored 'General case' 0 C--O 1.226 -0.169 0 N-CA-C 108.205 -1.035 . . . . 73.22 108.205 -177.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.418 HD23 HG21 ' A' ' 97' ' ' ILE . 22.7 tp -104.49 132.12 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.579 -0.526 . . . . 74.33 109.579 -177.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.417 HD21 ' HB1' ' A' ' 113' ' ' ALA . 43.0 tp -123.67 126.84 47.3 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.297 -0.865 . . . . 70.13 109.006 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.549 HD11 ' HD2' ' A' ' 93' ' ' PHE . 71.0 mt -111.37 142.26 43.84 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.202 1.001 . . . . 73.41 108.446 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -147.63 123.97 10.93 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.896 0.379 . . . . 52.45 111.089 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -178.03 155.75 0.99 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.669 1.588 . . . . 74.44 107.821 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -62.21 -39.03 91.38 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.573 0.749 . . . . 75.04 111.5 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.84 90.53 4.08 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 107.819 -1.178 . . . . 72.02 107.819 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.464 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 11.8 pt-20 -66.29 -22.77 66.3 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.926 -1.033 . . . . 73.0 111.289 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -76.31 -37.88 56.82 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 124.194 0.998 . . . . 74.11 110.972 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -49.5 77.22 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 108.179 -1.045 . . . . 74.44 108.179 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 82' ' ' LEU . 70.7 mt -69.52 -33.89 73.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.821 -1.536 . . . . 70.54 111.546 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.435 ' HG2' ' HD2' ' A' ' 95' ' ' ARG . 36.1 tt0 -61.48 -51.55 68.22 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 123.414 0.446 . . . . 71.3 109.869 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.452 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 12.0 mm-40 -54.2 -36.16 63.16 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.124 0.89 . . . . 72.45 111.756 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.549 ' HD2' HD11 ' A' ' 82' ' ' LEU . 54.2 t80 -66.98 -56.37 10.43 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.557 -0.747 . . . . 75.34 110.64 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.462 ' HG2' ' HB2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -75.21 -19.48 59.76 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.539 -0.755 . . . . 64.55 112.743 -167.624 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.435 ' HD2' ' HG2' ' A' ' 91' ' ' GLU . 63.7 mtp180 -61.55 -46.66 88.99 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.502 0.501 . . . . 74.22 109.953 175.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 1.1 mptm? -71.79 -39.85 69.63 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.692 0.797 . . . . 62.13 110.342 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.525 HG22 ' HB2' ' A' ' 102' ' ' TYR . 50.6 mm -64.64 -38.45 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.36 0.664 . . . . 63.2 110.922 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.74 -36.06 82.51 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.749 0.82 . . . . 74.4 109.572 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.8 m -70.79 -28.61 64.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.201 0.601 . . . . 62.3 111.169 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 96.4 mt-30 -74.03 -18.1 60.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.048 0.539 . . . . 72.21 110.684 175.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.26 42.01 2.29 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.426 0.454 . . . . 72.5 112.738 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.525 ' HB2' HG22 ' A' ' 97' ' ' ILE . 76.1 m-85 -117.71 138.48 51.98 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.976 0.51 . . . . 73.4 110.87 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -73.99 101.01 3.71 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 108.049 -1.093 . . . . 75.24 108.049 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.4 p -133.96 134.59 55.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-N 116.131 -0.486 . . . . 72.43 110.657 -171.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -129.07 149.62 50.81 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.546 0.738 . . . . 73.0 109.672 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.464 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.5 OUTLIER -116.55 126.23 53.01 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.89 1.276 . . . . 60.45 108.342 -179.641 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.13 175.47 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.723 0.809 . . . . 74.32 110.106 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.0 p -127.62 -34.8 2.18 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.586 0.754 . . . . 65.4 110.653 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.46 149.01 21.56 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.119 0.568 . . . . 72.44 110.366 -176.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.71 -48.04 67.67 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.071 0.948 . . . . 73.22 110.72 175.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.45 -41.06 84.26 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.179 -0.919 . . . . 52.44 111.259 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -66.22 -43.47 86.56 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.342 1.057 . . . . 74.01 110.713 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -58.33 -44.85 88.88 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.098 0.874 . . . . 55.34 111.822 -179.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.47 -34.36 77.6 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 124.099 0.874 . . . . 73.24 111.895 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -62.61 -45.83 91.06 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.798 0.686 . . . . 53.05 109.699 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.9 mm -68.59 -32.84 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.357 0.663 . . . . 73.14 111.284 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 113' ' ' ALA . 69.2 t -60.47 -50.23 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.179 0.592 . . . . 71.43 109.673 173.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 82.7 mtt180 -61.66 -33.16 73.48 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.492 -0.776 . . . . 75.21 110.363 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.13 -52.45 59.07 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 123.787 0.68 . . . . 75.54 110.444 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.413 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 14.1 m-85 -53.57 -35.2 60.53 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.927 0.891 . . . . 65.41 112.082 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.432 ' SD ' HG12 ' A' ' 22' ' ' VAL . 89.2 mtp -76.45 -21.78 55.45 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.098 0.959 . . . . 64.32 111.651 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 22.7 mm-40 -72.79 -42.07 64.31 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 109.82 -0.437 . . . . 72.43 109.82 171.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 3.0 mptp? -64.62 -40.93 96.36 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 109.471 -0.566 . . . . 71.13 109.471 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 127' ' ' LEU . . . -64.61 -37.44 87.57 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.854 0.862 . . . . 72.24 110.672 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.65 94.18 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.302 -0.863 . . . . 70.03 112.272 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.2 m -63.91 -27.58 69.25 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.422 0.689 . . . . 64.12 111.869 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 124' ' ' ALA . 69.8 mt . . . . . 0 N--CA 1.481 1.079 0 C-N-CA 123.441 0.696 . . . . 63.13 110.281 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.331 -0.618 . . . . 64.31 109.331 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -148.56 153.02 37.8 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 109.407 -0.59 . . . . 72.53 109.407 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.501 HD12 ' HG2' ' A' ' 53' ' ' LYS . 75.4 mt -92.75 115.75 32.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 C-N-CA 123.715 0.806 . . . . 70.02 109.254 174.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.778 HD21 HD13 ' A' ' 45' ' ' LEU . 11.0 mp -112.96 133.64 54.83 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.262 -1.014 . . . . 72.23 108.262 166.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.435 HG12 ' HB2' ' A' ' 79' ' ' PHE . 37.3 mt -120.77 110.55 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 107.499 -1.297 . . . . 75.23 107.499 166.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.658 HD21 ' SD ' ' A' ' 67' ' ' MET . 88.6 mt -86.74 137.82 32.13 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.571 0.748 . . . . 64.21 109.011 178.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -122.88 116.99 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 108.006 -1.109 . . . . 65.33 108.006 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.422 ' HB3' HD23 ' A' ' 82' ' ' LEU . 27.3 t30 -127.79 101.0 6.17 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.667 -1.234 . . . . 63.45 107.667 171.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.2 t -130.97 146.23 52.3 Favored 'General case' 0 C--O 1.244 0.763 0 C-N-CA 123.914 0.886 . . . . 73.21 109.845 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -62.56 -43.84 97.82 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.505 0.722 . . . . 73.23 111.228 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -91.81 114.3 26.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.09 0.556 . . . . 72.41 110.348 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.37 -31.53 71.42 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.642 1.177 . . . . 74.42 112.057 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.71 -31.68 68.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.951 0.9 . . . . 73.13 112.034 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 18' ' ' ILE . 45.6 tp -66.97 -40.07 87.38 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.496 0.719 . . . . 73.12 110.619 175.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.56 HD13 ' HG3' ' A' ' 57' ' ' LYS . 34.0 mt -62.86 -41.34 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 122.728 0.411 . . . . 54.42 110.6 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -51.37 -36.3 42.62 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.882 0.873 . . . . 72.1 111.247 177.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -77.68 -44.12 29.04 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.22 1.008 . . . . 72.22 111.114 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.487 HG12 HG21 ' A' ' 117' ' ' VAL . 74.6 mt -62.79 -29.44 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.118 0.967 . . . . 75.13 111.064 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.551 ' HG2' HG11 ' A' ' 29' ' ' VAL . 57.7 mtpt -61.13 -57.85 10.79 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.058 0.543 . . . . 73.34 109.931 174.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.73 -26.05 67.57 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.046 0.538 . . . . 75.02 111.371 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.88 -54.81 32.9 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.073 0.949 . . . . 42.52 110.083 175.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.461 HG11 HD13 ' A' ' 55' ' ' LEU . 23.2 m -76.45 -23.19 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 115.863 -0.608 . . . . 72.41 112.113 -175.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.74 -26.07 68.2 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.565 0.746 . . . . 73.33 111.722 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -60.13 -28.98 68.33 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.82 0.448 . . . . 63.14 111.447 174.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.96 18.86 20.22 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.504 0.722 . . . . 44.31 111.785 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.57 24.02 73.76 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 114.925 0.73 . . . . 74.21 114.925 169.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -77.45 142.16 39.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.99 0.424 . . . . 63.11 110.17 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -78.81 160.33 27.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.036 1.334 . . . . 74.02 108.313 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.551 HG11 ' HG2' ' A' ' 19' ' ' LYS . 23.7 t -136.55 138.97 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 118.546 0.612 . . . . 74.02 109.466 173.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -137.99 143.34 40.59 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.683 0.793 . . . . 73.1 110.359 173.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.89 116.22 28.54 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.327 1.051 . . . . 74.12 108.553 172.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.541 HG12 HD13 ' A' ' 63' ' ' LEU . 73.0 t -97.91 108.43 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.403 -1.332 . . . . 63.32 107.403 167.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -107.65 -14.94 14.7 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.626 0.77 . . . . 71.34 111.476 -169.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -153.7 165.22 36.67 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.354 0.662 . . . . 53.43 109.752 -171.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 t -66.13 -31.72 72.75 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.115 0.966 . . . . 34.32 111.424 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.9 -43.09 80.09 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 108.574 -0.899 . . . . 64.44 108.574 175.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -61.11 -34.68 75.34 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.575 0.547 . . . . 73.42 111.239 174.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 67' ' ' MET . 36.6 tp -62.02 -54.74 37.29 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 124.096 0.872 . . . . 74.4 110.256 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -69.85 -25.52 63.77 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.49 -0.323 . . . . 75.33 111.295 -176.673 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' A' ' 40' ' ' LYS . 6.9 mmpt? -59.89 -57.84 11.12 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.509 0.324 . . . . 62.25 110.372 176.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.3 pp20? -76.47 -30.63 57.37 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.946 -0.57 . . . . 74.4 111.786 -176.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.744 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 50.1 mmm -64.05 -31.38 72.55 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 117.785 0.266 . . . . 71.12 111.472 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 6.3 mptp? -71.21 -29.22 64.87 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.572 0.349 . . . . 74.34 110.473 172.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -73.14 -34.69 66.23 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 110.013 -0.366 . . . . 73.02 110.013 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.778 HD13 HD21 ' A' ' 4' ' ' LEU . 35.0 mt -75.68 -28.42 58.65 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.033 0.933 . . . . 71.33 110.325 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.54 -50.06 8.63 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 123.226 0.611 . . . . 73.33 111.98 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -74.19 -45.88 45.58 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.075 0.465 . . . . 75.15 110.412 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -102.51 74.75 1.4 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.319 -0.993 . . . . 73.54 108.319 175.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.51 ' HD3' HD22 ' A' ' 74' ' ' LEU . 26.3 ttpp -89.52 16.21 8.06 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 121.974 0.892 . . . . 75.0 110.976 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -61.61 165.88 4.64 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.509 1.124 . . . . 72.23 110.817 172.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -71.89 128.66 36.44 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 110.058 -0.349 . . . . 72.31 110.058 -177.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -161.95 145.59 12.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.416 0.687 . . . . 71.35 109.524 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.501 ' HG2' HD12 ' A' ' 3' ' ' ILE . 86.9 mttt -93.78 105.13 17.18 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.104 0.961 . . . . 60.13 108.48 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.4 mt -125.34 134.8 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.212 0.605 . . . . 72.23 109.94 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.461 HD13 HG11 ' A' ' 22' ' ' VAL . 13.5 tp -106.55 110.71 22.99 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 125.238 1.415 . . . . 73.52 107.545 173.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.516 ' HB ' HD23 ' A' ' 6' ' ' LEU . 40.3 mm -93.54 125.13 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.325 0.583 . . . . 51.03 109.884 176.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.56 ' HG3' HD13 ' A' ' 15' ' ' ILE . 77.9 tttt -93.75 144.2 25.63 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.997 1.319 . . . . 64.25 110.21 175.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.491 ' HB3' HD11 ' A' ' 64' ' ' LEU . 31.3 t -167.46 174.15 8.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.611 1.165 . . . . 54.55 108.692 168.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -143.15 16.25 1.9 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.104 0.962 . . . . 61.44 109.322 173.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -128.08 99.75 5.6 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.382 1.073 . . . . 73.13 108.996 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -59.79 -14.33 14.27 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.905 1.282 . . . . 65.2 113.983 -176.888 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.496 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . 13.2 mm100 -62.53 -51.49 67.21 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.568 -0.53 . . . . 70.12 109.568 176.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.541 HD13 HG12 ' A' ' 32' ' ' VAL . 93.4 mt -55.53 -40.29 71.65 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.322 -1.308 . . . . 72.04 111.45 177.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' A' ' 58' ' ' SER . 9.2 mp -66.28 -42.96 87.66 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.497 0.719 . . . . 42.21 111.327 -177.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.496 ' HE2' ' HA ' ' A' ' 62' ' ' GLN . 58.5 mtmt -58.16 -55.12 39.03 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 109.893 -0.41 . . . . 74.43 109.893 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.57 -35.18 78.68 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 125.025 1.453 . . . . 74.5 111.795 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.744 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 52.2 ttm -58.64 -53.76 54.7 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.805 0.842 . . . . 65.32 110.132 174.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.505 HD23 HD12 ' A' ' 71' ' ' ILE . 65.3 mt -65.0 -29.35 70.27 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.305 1.003 . . . . 74.4 111.599 -175.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 10.7 mm-40 -64.77 -34.1 77.54 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.929 0.491 . . . . 73.21 110.946 176.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.6 mt -78.9 -35.0 44.27 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.381 0.672 . . . . 63.1 110.164 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.505 HD12 HD23 ' A' ' 68' ' ' LEU . 76.9 mt -66.81 -21.32 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.115 0.966 . . . . 71.31 110.592 175.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -56.37 -37.51 70.18 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.392 0.677 . . . . 75.14 111.08 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.61 -34.15 53.49 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.28 0.632 . . . . 53.41 111.21 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.51 HD22 ' HD3' ' A' ' 49' ' ' LYS . 89.6 mt -75.1 -37.63 61.45 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.603 0.761 . . . . 74.13 111.664 -173.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.61 78.43 0.2 Allowed Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.367 -0.833 . . . . 40.21 113.689 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -152.56 161.03 43.14 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.214 0.606 . . . . 73.54 110.588 170.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.423 ' NZ ' ' HB2' ' A' ' 103' ' ' GLU . 61.8 tttp -83.17 129.31 35.01 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.346 0.658 . . . . 73.01 110.672 -175.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.13 144.26 25.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 124.502 1.121 . . . . 73.35 109.179 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.435 ' HB2' HG12 ' A' ' 5' ' ' ILE . 77.5 m-85 -115.98 109.51 17.65 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.33 1.052 . . . . 74.21 109.209 -177.05 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.7 tp -109.28 123.31 49.06 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.984 -0.448 . . . . 70.44 110.468 -175.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.0 tp -103.82 128.24 51.26 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 123.287 0.635 . . . . 72.24 109.468 170.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.534 ' HB3' HD22 ' A' ' 90' ' ' LEU . 73.0 mt -115.42 124.3 50.82 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 107.853 -1.166 . . . . 74.01 107.853 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.11 116.42 11.9 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 111.894 0.331 . . . . 70.43 111.894 -172.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -177.72 155.7 1.05 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.143 1.377 . . . . 75.01 109.377 173.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -59.26 -37.34 77.34 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.102 0.961 . . . . 54.0 111.393 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -77.12 88.31 3.6 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.905 -1.146 . . . . 64.42 107.905 170.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.65 -13.52 61.01 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.896 -1.047 . . . . 62.13 110.962 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -58.22 -59.8 4.76 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.133 0.973 . . . . 73.0 111.508 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.07 -43.25 86.89 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.737 0.648 . . . . 71.32 110.449 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 82' ' ' LEU . 51.4 mt -62.92 -46.8 86.1 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 124.601 1.188 . . . . 72.5 111.253 -176.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 40.8 tt0 -70.97 -44.51 65.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.048 0.539 . . . . 54.44 110.711 -174.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.54 -37.62 88.19 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.631 0.372 . . . . 42.33 110.659 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -63.16 -48.95 76.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.724 0.81 . . . . 70.14 110.828 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -68.04 -26.56 65.93 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.999 -0.546 . . . . 63.31 111.612 -170.691 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 91.3 mtt-85 -57.46 -39.79 77.1 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.424 0.69 . . . . 72.44 111.366 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.91 -41.53 67.78 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.273 0.629 . . . . 74.11 110.277 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.536 ' HB ' HG11 ' A' ' 104' ' ' VAL . 25.9 mm -69.3 -38.93 78.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 C-N-CA 123.79 0.836 . . . . 73.1 110.264 -174.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -74.03 -32.97 63.58 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.855 1.262 . . . . 44.34 110.859 -175.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.1 t -66.91 -25.45 66.38 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.504 -0.771 . . . . 53.54 110.986 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -86.55 -4.25 59.14 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.039 0.936 . . . . 64.25 111.916 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.91 -6.52 54.37 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-O 119.955 -0.359 . . . . 75.11 113.701 177.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.466 ' HB2' HG22 ' A' ' 97' ' ' ILE . 48.8 m-85 -74.18 130.47 39.83 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.531 -0.544 . . . . 62.42 109.531 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 79' ' ' PHE . 8.5 tp10 -77.88 101.98 7.06 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.136 0.574 . . . . 75.43 109.548 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.536 HG11 ' HB ' ' A' ' 97' ' ' ILE . 4.2 p -127.7 127.49 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 121.236 0.541 . . . . 73.14 111.077 -175.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -117.0 157.49 25.7 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.018 -0.992 . . . . 73.34 109.228 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.95 146.02 51.84 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.62 0.768 . . . . 71.13 109.056 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.5 m -145.95 172.05 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.258 1.023 . . . . 75.02 110.771 -174.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.6 p -118.94 -21.07 7.89 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.951 0.9 . . . . 74.01 112.209 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -121.33 159.51 25.93 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 122.662 0.385 . . . . 73.23 111.266 -170.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.02 -59.16 3.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.097 1.359 . . . . 71.24 111.827 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -22.03 61.37 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.5 0.32 . . . . 54.13 111.202 -174.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.37 -45.1 70.14 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.877 0.871 . . . . 74.31 109.868 170.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.1 -40.2 88.79 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.402 0.681 . . . . 73.32 111.234 178.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.89 -38.17 81.49 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.308 1.005 . . . . 75.22 111.685 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -60.71 -40.49 92.48 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.445 0.698 . . . . 63.4 110.466 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 32.4 mm -77.76 -29.17 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 CA-C-N 115.205 -0.907 . . . . 64.2 111.013 -175.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.487 HG21 HG12 ' A' ' 18' ' ' ILE . 86.5 t -59.44 -44.96 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 108.922 -0.77 . . . . 71.24 108.922 170.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 38.3 mtp180 -58.92 -45.74 89.63 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 124.465 1.103 . . . . 63.35 109.908 177.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.444 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 59.7 mm-40 -54.11 -53.75 48.97 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 123.92 0.762 . . . . 51.41 110.641 177.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -59.94 -36.66 77.54 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.318 0.647 . . . . 60.33 112.133 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 76.2 mtp -68.93 -34.58 75.61 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.49 0.716 . . . . 64.53 111.719 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 11.4 mm100 -75.25 -46.74 31.81 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.873 0.469 . . . . 74.12 110.316 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 14.3 mptt -66.91 -31.46 72.06 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.568 -0.742 . . . . 51.54 110.943 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.21 56.49 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.383 0.673 . . . . 75.43 110.808 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.85 -35.45 82.61 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.224 -0.351 . . . . 53.13 112.224 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.5 m -64.97 -24.36 67.49 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.4 1.08 . . . . 73.22 112.681 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 N--CA 1.481 1.12 0 C-N-CA 122.903 0.481 . . . . 73.42 111.271 -177.636 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.84 -0.429 . . . . 63.34 109.84 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -145.66 145.23 30.84 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.938 -1.134 . . . . 62.13 107.938 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.494 HG21 ' HB1' ' A' ' 124' ' ' ALA . 66.1 mt -119.26 108.58 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.815 -0.809 . . . . 72.01 108.815 177.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.612 HD11 HD22 ' A' ' 45' ' ' LEU . 10.3 mp -99.95 141.15 33.16 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.12 0.568 . . . . 62.33 109.82 174.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.422 ' HB ' HD12 ' A' ' 55' ' ' LEU . 56.3 mt -121.63 111.38 30.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 N-CA-C 106.177 -1.786 . . . . 64.55 106.177 162.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.482 HD23 ' HB ' ' A' ' 56' ' ' ILE . 83.4 mt -88.48 130.58 35.18 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 108.667 -0.864 . . . . 73.53 108.667 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.0 mm -119.26 115.11 46.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.386 -0.968 . . . . 73.44 108.386 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.439 ' HB2' HD21 ' A' ' 64' ' ' LEU . 28.8 t-20 -124.91 102.59 7.61 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.428 -1.323 . . . . 65.02 107.428 172.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 10.2 t -129.8 144.97 51.56 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.679 -0.691 . . . . 53.53 109.829 176.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -65.16 -49.14 71.02 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 124.171 0.92 . . . . 72.22 110.424 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -80.83 101.19 9.23 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 109.38 -0.6 . . . . 71.42 109.38 176.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.98 -17.88 58.57 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.667 1.187 . . . . 73.24 111.697 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.38 -41.66 89.87 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.702 1.201 . . . . 71.12 111.11 173.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.27 -35.16 74.87 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.865 0.866 . . . . 63.53 111.606 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.586 HG21 ' HG3' ' A' ' 57' ' ' LYS . 76.0 mt -60.25 -40.99 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.494 0.718 . . . . 64.32 111.144 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -54.79 -39.73 68.73 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.334 0.588 . . . . 65.43 111.248 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 53.2 mtpt -73.55 -46.12 49.35 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 114.589 -1.187 . . . . 74.25 110.335 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.23 -36.26 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.207 1.003 . . . . 64.3 110.978 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.515 ' HG2' HG11 ' A' ' 29' ' ' VAL . 59.2 mtpt -60.7 -55.91 27.61 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 115.705 -0.679 . . . . 71.44 109.589 176.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -67.4 -21.16 65.6 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.653 -0.703 . . . . 70.25 112.328 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 16.2 mm-40 -65.48 -54.38 29.11 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.854 0.462 . . . . 64.33 110.633 168.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.58 HG11 HD13 ' A' ' 55' ' ' LEU . 28.5 m -76.67 -30.32 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 113.048 0.759 . . . . 73.44 113.048 -170.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.4 -21.34 66.66 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.349 0.66 . . . . 55.41 112.53 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -61.51 -36.34 80.25 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.854 0.462 . . . . 74.23 111.732 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -99.51 19.63 15.34 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.654 0.781 . . . . 72.03 111.904 -176.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.91 37.9 60.49 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.862 -0.608 . . . . 64.01 114.189 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.68 124.28 33.4 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 109.409 -0.589 . . . . 74.53 109.409 170.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -80.07 115.94 19.91 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.758 -0.83 . . . . 75.24 108.758 170.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.515 HG11 ' HG2' ' A' ' 19' ' ' LYS . 23.3 t -87.93 127.45 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 109.83 -0.433 . . . . 63.51 109.83 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.01 109.75 19.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.26 1.024 . . . . 62.41 108.492 -177.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -83.01 110.17 17.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.76 -0.83 . . . . 73.44 108.76 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.452 HG12 HD13 ' A' ' 63' ' ' LEU . 87.6 t -109.58 123.53 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.27 -1.011 . . . . 74.24 108.27 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.406 ' HA ' ' OD1' ' A' ' 59' ' ' ASN . 32.5 m-80 -108.75 -39.8 5.25 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.584 0.754 . . . . 73.32 110.989 -177.255 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -134.44 171.13 14.73 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.097 0.959 . . . . 74.32 109.523 -168.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.6 t -68.56 -23.52 64.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.275 0.63 . . . . 74.22 111.073 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 18.4 t70 -66.56 -50.95 61.44 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.618 0.767 . . . . 75.34 109.351 170.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 15.7 mm-40 -57.19 -35.54 69.73 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.158 0.911 . . . . 62.13 110.728 175.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' A' ' 66' ' ' GLU . 51.2 tp -64.45 -57.9 7.96 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.442 -0.799 . . . . 73.0 111.37 -178.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -63.8 -33.46 75.73 Favored 'General case' 0 C--N 1.362 1.148 0 O-C-N 123.68 0.613 . . . . 74.2 110.962 -176.902 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -52.16 -51.6 57.0 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.779 0.831 . . . . 73.5 110.559 170.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 20.5 mm-40 -79.19 -17.2 55.33 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.289 -0.414 . . . . 73.34 111.727 -179.371 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.428 ' SD ' HD12 ' A' ' 45' ' ' LEU . 94.2 mmm -71.49 -19.82 62.15 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 117.848 0.295 . . . . 75.04 111.012 172.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.86 -43.2 90.77 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 109.658 -0.497 . . . . 72.55 109.658 163.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 31.7 mmmt -70.45 -41.0 73.4 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.677 0.791 . . . . 54.32 112.257 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.612 HD22 HD11 ' A' ' 4' ' ' LEU . 66.2 mt -82.37 -41.17 20.33 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.976 0.51 . . . . 73.22 111.225 -173.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.49 -41.14 10.99 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.85 0.685 . . . . 43.21 112.85 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -93.69 -3.45 52.33 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 112.304 0.483 . . . . 63.42 112.304 -176.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 86.3 mt-10 -121.86 108.31 13.3 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.971 -0.751 . . . . 74.02 108.971 171.223 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.38 -0.6 43.37 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.059 0.944 . . . . 72.43 110.346 178.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.94 140.68 56.54 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.539 0.524 . . . . 73.41 110.635 175.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -62.31 125.05 22.55 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.705 0.628 . . . . 72.11 111.771 -173.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -162.87 144.41 10.06 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 123.435 0.694 . . . . 70.13 109.923 177.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -99.5 105.03 16.89 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.595 -0.891 . . . . 53.03 108.595 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.3 mt -110.55 124.49 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.152 0.581 . . . . 53.14 109.911 -177.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.58 HD13 HG11 ' A' ' 22' ' ' VAL . 13.5 tp -84.73 105.35 15.45 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.651 -1.24 . . . . 73.35 107.651 169.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.576 HD11 HD21 ' A' ' 45' ' ' LEU . 16.4 mm -90.76 117.55 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 108.772 -0.825 . . . . 72.13 108.772 177.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.586 ' HG3' HG21 ' A' ' 15' ' ' ILE . 11.6 tmtt? -91.9 142.57 27.42 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.41 -0.959 . . . . 61.14 108.41 171.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.2 t -154.41 129.98 9.92 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 123.858 0.723 . . . . 75.21 109.488 168.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.406 ' OD1' ' HA ' ' A' ' 33' ' ' ASN . 2.8 p-10 -88.31 1.03 55.46 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.577 0.751 . . . . 63.14 111.052 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -127.59 128.99 46.5 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.195 0.598 . . . . 63.02 110.273 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -69.85 -22.71 63.25 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.524 1.13 . . . . 74.12 112.983 -176.547 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.466 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 28.8 mt-30 -70.96 -31.21 67.71 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.576 0.351 . . . . 75.13 110.693 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.452 HD13 HG12 ' A' ' 32' ' ' VAL . 44.2 mt -66.49 -34.95 79.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.532 -0.758 . . . . 62.51 110.475 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 8' ' ' ASN . 8.8 mp -63.51 -39.39 94.32 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.528 -0.76 . . . . 75.41 110.161 175.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 12.4 mmmm -66.83 -56.92 8.24 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 123.335 0.397 . . . . 70.14 111.773 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.496 ' HB2' HD21 ' A' ' 38' ' ' LEU . 35.5 mt-10 -53.81 -39.84 65.84 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 123.925 0.766 . . . . 74.53 110.5 -178.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.432 ' HB2' HD11 ' A' ' 38' ' ' LEU . 27.4 ttm -62.58 -57.33 11.48 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.828 -1.078 . . . . 50.12 110.548 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 71' ' ' ILE . 64.8 mt -65.1 -28.66 69.6 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.035 0.934 . . . . 75.34 112.814 -173.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 43.1 mm-40 -66.52 -40.44 89.15 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.15 0.5 . . . . 71.31 109.943 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.0 mt -76.78 -28.58 55.7 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.537 -0.756 . . . . 64.14 110.86 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.502 HD12 HD23 ' A' ' 68' ' ' LEU . 80.2 mt -69.0 -32.63 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.368 0.667 . . . . 54.1 110.234 175.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -60.06 -31.5 70.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.968 0.507 . . . . 73.5 110.475 175.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.78 -40.74 61.0 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.685 0.794 . . . . 52.24 111.019 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 78.7 mt -68.66 -41.09 79.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.884 0.874 . . . . 75.34 112.222 -175.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.12 74.07 0.96 Allowed Glycine 0 C--N 1.343 0.938 0 CA-C-N 115.851 -0.613 . . . . 73.03 113.857 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.419 ' CE1' HD13 ' A' ' 4' ' ' LEU . 35.3 p90 -149.99 168.41 23.91 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.48 0.712 . . . . 73.44 110.367 168.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.437 ' HD2' HD11 ' A' ' 127' ' ' LEU . 2.9 tmtp? -87.09 131.17 34.22 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.494 0.717 . . . . 74.54 109.737 -174.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.42 HG21 HG21 ' A' ' 71' ' ' ILE . 81.5 t -126.96 140.81 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.94 0.896 . . . . 74.24 110.161 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -102.64 152.07 21.62 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.774 1.229 . . . . 74.24 108.282 170.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.5 tp -140.41 136.64 33.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.146 0.579 . . . . 75.23 109.776 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.567 HD13 HG21 ' A' ' 116' ' ' ILE . 37.8 tp -128.66 117.96 22.08 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.291 1.036 . . . . 61.21 108.858 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.421 HD11 ' HD2' ' A' ' 93' ' ' PHE . 61.7 mt -101.64 134.74 44.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.737 -1.208 . . . . 24.43 107.737 174.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -146.49 111.73 5.45 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.048 0.385 . . . . 42.3 110.604 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.432 ' HB3' HD11 ' A' ' 90' ' ' LEU . 13.8 t0 -162.53 150.58 14.22 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.124 -0.695 . . . . 65.35 109.124 175.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -55.92 -43.63 77.55 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.768 1.227 . . . . 74.41 110.366 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.71 107.17 15.14 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.558 -1.275 . . . . 50.34 107.558 170.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.06 -14.07 34.58 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.478 -0.783 . . . . 72.31 111.889 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.16 -52.25 66.14 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.999 0.919 . . . . 64.15 112.392 -168.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.67 -44.81 92.68 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.349 0.405 . . . . 54.04 110.417 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 84' ' ' ASP . 80.4 mt -63.32 -28.82 70.27 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.07 -0.968 . . . . 72.35 111.282 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.14 -46.23 78.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.127 0.971 . . . . 72.44 110.498 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -69.25 -39.84 78.22 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.507 -0.769 . . . . 65.35 109.646 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.447 ' O ' HG12 ' A' ' 97' ' ' ILE . 34.1 t80 -59.34 -47.7 84.41 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 114.311 -1.313 . . . . 74.52 111.163 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -26.98 65.65 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.271 -0.422 . . . . 61.32 112.074 -177.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -66.97 -36.9 83.24 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.912 0.485 . . . . 54.13 110.211 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -64.8 -53.34 48.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.664 0.786 . . . . 71.14 110.305 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.455 HG22 ' HB2' ' A' ' 102' ' ' TYR . 32.5 mm -68.64 -35.53 70.44 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 CA-C-N 114.935 -1.029 . . . . 71.25 111.093 -171.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.17 -45.37 94.91 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.579 -0.737 . . . . 62.42 109.697 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -67.16 -27.38 67.24 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.533 -0.758 . . . . 75.02 111.031 -176.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -78.43 -6.25 54.74 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.528 0.731 . . . . 72.41 112.449 177.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.48 17.38 39.45 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 113.784 0.274 . . . . 54.25 113.784 173.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.455 ' HB2' HG22 ' A' ' 97' ' ' ILE . 68.7 m-85 -99.55 151.79 20.76 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.007 0.523 . . . . 71.21 109.853 174.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -79.8 128.17 33.11 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 108.487 -0.931 . . . . 65.01 108.487 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.9 p -141.14 134.92 31.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.317 0.579 . . . . 73.24 110.439 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -122.64 135.82 54.71 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.504 1.122 . . . . 75.33 108.112 172.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -117.4 115.33 24.99 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.63 -0.878 . . . . 53.11 108.63 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.2 m -123.58 -178.78 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 124.65 1.18 . . . . 61.3 110.06 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.2 p -128.64 -51.96 1.25 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.273 0.629 . . . . 62.11 110.06 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.94 154.07 40.7 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 112.872 0.693 . . . . 74.23 112.872 -171.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.8 -54.16 46.05 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.764 1.225 . . . . 64.22 110.437 176.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.14 -36.73 68.6 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.365 1.066 . . . . 74.44 111.39 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.535 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.0 tt0 -79.42 -33.95 42.15 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 114.258 -1.337 . . . . 75.12 110.346 -172.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -66.88 -49.07 66.82 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.707 0.403 . . . . 74.24 111.037 174.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.06 -36.54 79.88 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.665 0.786 . . . . 63.25 112.184 -176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -72.96 -26.45 61.37 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 110.42 -0.215 . . . . 73.32 110.42 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.567 HG21 HD13 ' A' ' 81' ' ' LEU . 49.3 mm -73.42 -41.45 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.549 0.339 . . . . 71.31 110.172 173.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 113' ' ' ALA . 74.5 t -56.74 -53.77 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.629 0.771 . . . . 72.23 110.975 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -62.45 -32.5 73.38 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.489 -0.778 . . . . 71.52 110.974 -176.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -74.77 -39.17 61.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.309 0.644 . . . . 74.54 111.577 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -59.33 -33.24 70.88 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.307 0.643 . . . . 60.01 111.057 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 71.3 mtp -68.02 -30.29 69.49 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.104 0.962 . . . . 65.0 111.384 176.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.34 -46.58 54.91 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.378 0.671 . . . . 73.02 110.448 176.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 13.3 mptt -69.31 -29.83 67.76 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.284 -0.416 . . . . 45.23 110.707 179.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.494 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -70.59 -35.51 73.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 122.998 0.519 . . . . 61.22 110.324 173.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.73 -34.56 90.22 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.655 -0.702 . . . . 42.25 112.477 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.1 m -64.87 -32.79 74.66 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.395 0.678 . . . . 53.12 110.518 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.437 HD11 ' HD2' ' A' ' 77' ' ' LYS . 97.6 mt . . . . . 0 N--CA 1.476 0.836 0 C-N-CA 123.258 0.623 . . . . 54.34 111.444 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 tpt . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 108.793 -0.818 . . . . 73.31 108.793 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -157.77 175.94 13.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.253 0.621 . . . . 75.3 110.287 176.413 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.464 HD12 ' HG2' ' A' ' 53' ' ' LYS . 74.2 mt -110.08 124.78 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.967 0.907 . . . . 55.03 109.343 -178.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -112.75 137.44 51.06 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.239 0.616 . . . . 75.34 109.674 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.495 ' HB ' HD12 ' A' ' 55' ' ' LEU . 30.6 mt -115.44 103.59 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 107.062 -1.459 . . . . 71.4 107.062 162.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.48 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -85.84 129.59 34.79 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.529 1.132 . . . . 72.35 108.993 -178.16 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.6 mm -123.63 120.42 59.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 C-N-CA 124.136 0.975 . . . . 74.32 109.099 -178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.585 ' HB2' HD21 ' A' ' 64' ' ' LEU . 24.9 t-20 -122.89 103.35 8.56 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.433 -1.321 . . . . 51.01 107.433 171.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.484 ' HB ' ' CG1' ' A' ' 15' ' ' ILE . 89.4 m -127.93 128.8 45.75 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.517 -1.22 . . . . 70.14 108.368 178.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -71.75 -28.76 63.86 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 123.441 0.463 . . . . 61.05 110.37 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -98.02 96.23 8.01 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.04 -1.096 . . . . 70.24 108.04 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -60.78 -26.41 67.25 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.285 1.034 . . . . 74.34 113.027 -170.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -57.06 -39.04 74.13 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.182 0.593 . . . . 61.05 111.559 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -71.4 -33.26 69.32 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.715 0.806 . . . . 63.4 110.859 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.49 HG21 ' HG3' ' A' ' 57' ' ' LYS . 49.0 mt -59.45 -46.53 92.7 Favored 'Isoleucine or valine' 0 C--N 1.365 1.271 0 N-CA-C 109.639 -0.504 . . . . 63.35 109.639 174.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 51.8 mtpt -56.39 -39.16 72.54 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 123.973 0.795 . . . . 62.11 111.081 -177.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -65.41 -44.08 88.53 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.514 0.726 . . . . 63.22 111.006 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.76 -37.37 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 C-N-CA 124.153 0.981 . . . . 72.41 111.265 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.539 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 59.8 mtpt -63.06 -40.35 97.44 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.548 0.739 . . . . 72.14 110.225 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 33.5 mmtp -66.45 -46.41 76.5 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 115.755 -0.657 . . . . 73.14 110.025 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -49.36 -53.22 23.44 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.359 1.064 . . . . 40.15 111.796 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.709 HG11 HD13 ' A' ' 55' ' ' LEU . 32.8 m -71.35 -35.05 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 115.122 -0.944 . . . . 64.55 111.593 -176.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -70.98 -19.51 62.53 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.568 0.581 . . . . 75.11 112.568 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -65.15 -26.08 68.02 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 118.072 0.396 . . . . 70.24 110.626 168.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -111.02 20.82 17.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.554 0.741 . . . . 71.43 110.954 174.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.31 31.26 71.47 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 115.811 1.085 . . . . 51.1 115.811 167.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 4.8 m-85 -78.1 139.94 39.05 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.739 0.769 . . . . 73.4 109.829 172.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -81.15 118.5 22.6 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.829 0.852 . . . . 64.01 108.774 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -97.82 133.1 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 121.869 -0.519 . . . . 74.54 109.927 -176.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 ttm-85 -134.14 114.2 12.87 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.386 1.074 . . . . 74.22 108.565 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.538 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 1.4 m-20 -97.41 139.9 32.66 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.945 0.898 . . . . 75.03 110.593 -170.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.2 t -128.23 113.54 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 107.885 -1.154 . . . . 73.2 107.885 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -102.41 -20.91 14.37 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.295 0.638 . . . . 74.41 110.115 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -146.13 160.36 42.04 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.922 0.489 . . . . 71.14 111.751 -171.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 m -56.76 -33.44 66.59 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.513 1.525 . . . . 62.24 113.185 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 23.7 t70 -60.04 -51.1 71.09 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.874 0.87 . . . . 61.0 109.97 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 50.0 mt-10 -65.94 -33.15 75.15 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.137 -0.938 . . . . 73.22 110.539 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' A' ' 63' ' ' LEU . 50.5 tp -55.06 -59.15 5.15 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.079 0.552 . . . . 75.11 110.839 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -33.47 75.88 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.853 0.721 . . . . 71.22 111.407 -176.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 9.9 mtmp? -61.21 -52.68 63.76 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.295 0.372 . . . . 75.55 111.53 174.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 4.2 mm-40 -72.25 -27.88 62.78 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.809 -0.178 . . . . 75.43 110.628 -174.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.564 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 90.0 mmm -67.74 -34.78 77.51 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.655 0.382 . . . . 64.11 110.864 175.083 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -42.44 99.44 Favored 'General case' 0 C--O 1.209 -1.075 0 N-CA-C 109.516 -0.55 . . . . 73.02 109.516 170.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HA ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -59.77 -38.99 83.37 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.597 0.359 . . . . 74.43 111.508 178.238 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 80.2 mt -74.74 -26.86 60.08 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.557 0.743 . . . . 75.11 111.651 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.99 -38.08 15.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.762 0.825 . . . . 72.43 112.785 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -77.54 -56.97 4.08 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.791 0.836 . . . . 75.2 109.469 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -74.72 125.59 29.06 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 108.254 -1.017 . . . . 72.34 108.254 176.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -104.05 -1.02 28.04 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.556 0.742 . . . . 73.12 110.035 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -59.23 139.62 56.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.356 1.462 . . . . 73.42 112.474 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -77.32 122.3 24.93 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.758 0.823 . . . . 70.45 109.747 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 10.9 tp10 -160.35 137.53 9.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.583 0.753 . . . . 74.5 109.549 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HG2' HD12 ' A' ' 3' ' ' ILE . 34.0 mtmm -88.56 94.96 10.05 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.828 -0.804 . . . . 74.13 108.828 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.0 mt -103.33 122.55 55.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 115.314 -0.857 . . . . 74.03 110.09 -176.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.709 HD13 HG11 ' A' ' 22' ' ' VAL . 10.4 tp -79.72 109.23 13.93 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 107.723 -1.214 . . . . 62.1 107.723 169.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.8 mm -90.0 114.38 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 108.614 -0.884 . . . . 73.1 108.614 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.538 ' HB3' ' HA ' ' A' ' 31' ' ' ASP . 1.4 tmtp? -91.17 135.9 33.46 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.648 -1.241 . . . . 64.14 107.648 169.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.3 t -150.33 117.12 5.85 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.291 -1.003 . . . . 52.14 108.291 172.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -70.99 -43.5 67.87 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.854 0.862 . . . . 61.31 111.158 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -95.86 126.99 41.5 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.12 -0.491 . . . . 75.31 110.849 -171.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -59.58 -28.62 67.31 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.842 1.657 . . . . 55.22 112.9 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -57.45 -47.51 81.63 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.661 0.785 . . . . 72.3 109.832 176.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.451 ' HB3' HD13 ' A' ' 38' ' ' LEU . 49.7 mt -60.26 -36.61 78.18 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 113.813 -1.539 . . . . 64.42 110.988 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' A' ' 8' ' ' ASN . 7.9 mp -66.72 -46.2 76.26 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.902 0.751 . . . . 70.4 111.798 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -56.58 -53.77 53.66 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.905 0.753 . . . . 72.01 109.965 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.79 -40.27 87.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.47 1.108 . . . . 75.31 111.385 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.564 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 38.5 ttm -61.53 -52.47 64.34 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.483 1.113 . . . . 75.22 110.123 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.564 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 44.9 mt -70.64 -29.56 65.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.287 1.035 . . . . 65.34 112.069 -172.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.91 -33.71 76.67 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.267 0.627 . . . . 74.4 110.969 173.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.9 mt -82.56 -31.75 28.91 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.515 0.726 . . . . 64.11 110.834 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.564 ' HB ' ' HA ' ' A' ' 68' ' ' LEU . 39.9 mt -65.47 -26.01 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.421 1.088 . . . . 73.13 110.309 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 t -61.5 -27.0 68.28 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.308 0.643 . . . . 74.43 111.795 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -83.25 -37.21 23.83 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.258 0.623 . . . . 73.33 110.671 172.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.79 -33.57 75.07 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.413 0.685 . . . . 75.45 112.178 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.79 64.95 3.64 Favored Glycine 0 C--N 1.349 1.261 0 N-CA-C 114.339 0.496 . . . . 51.24 114.339 173.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.67 170.88 14.94 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.854 0.461 . . . . 71.43 110.907 175.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HG2' HD11 ' A' ' 127' ' ' LEU . 54.0 tptt -76.45 127.05 32.09 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.656 -0.702 . . . . 73.3 110.597 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.436 HG11 HD21 ' A' ' 68' ' ' LEU . 58.0 t -122.29 133.08 69.64 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 123.848 0.859 . . . . 74.0 109.076 173.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.52 107.42 17.06 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 107.592 -1.262 . . . . 61.02 107.592 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 6' ' ' LEU . 22.8 tp -107.41 130.94 54.75 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.348 0.522 . . . . 73.4 111.062 -173.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 116' ' ' ILE . 32.2 tp -119.29 134.31 55.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.001 0.92 . . . . 71.3 109.507 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.523 ' HB3' HD22 ' A' ' 90' ' ' LEU . 74.2 mt -119.18 94.03 4.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.299 1.04 . . . . 70.12 109.038 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.98 110.97 22.83 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.967 0.507 . . . . 73.41 111.94 -175.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.444 ' HB3' HD11 ' A' ' 90' ' ' LEU . 24.1 t70 -165.55 156.74 14.06 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.467 0.707 . . . . 74.33 110.637 173.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.466 ' HA ' HG23 ' A' ' 108' ' ' THR . 97.3 mt-30 -58.12 -41.23 83.18 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.007 1.323 . . . . 65.33 111.763 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.48 101.61 7.42 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 108.415 -0.957 . . . . 73.2 108.415 169.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -83.68 -15.98 46.75 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.031 -0.986 . . . . 75.5 111.294 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -62.76 -57.52 10.63 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.419 1.088 . . . . 75.51 112.504 -168.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.2 -39.63 86.35 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.133 0.573 . . . . 63.1 111.043 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 82' ' ' LEU . 97.1 mt -65.14 -30.79 71.75 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.562 -0.744 . . . . 72.51 111.376 178.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.99 -37.29 84.29 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.886 0.875 . . . . 64.44 110.274 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -77.29 -44.51 29.43 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.867 -1.061 . . . . 74.41 109.955 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.47 -48.41 65.91 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.717 1.207 . . . . 72.2 111.185 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -61.72 -31.41 71.56 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.859 0.724 . . . . 71.33 112.004 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.33 -35.24 79.01 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.524 0.73 . . . . 63.34 111.754 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -65.03 -53.24 49.1 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 123.991 0.807 . . . . 72.12 108.948 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.588 HG22 ' HB2' ' A' ' 102' ' ' TYR . 24.1 mm -65.11 -37.65 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 115.259 -0.882 . . . . 62.43 111.031 -172.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.44 -35.75 71.02 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.416 -0.811 . . . . 74.51 110.742 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -73.3 -26.66 61.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.3 0.64 . . . . 71.22 110.637 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -75.99 -10.41 59.4 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.641 0.776 . . . . 75.23 111.204 174.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.14 43.29 3.3 Favored Glycine 0 C--N 1.355 1.608 0 O-C-N 123.347 0.404 . . . . 73.11 113.029 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.588 ' HB2' HG22 ' A' ' 97' ' ' ILE . 84.9 m-85 -125.21 155.27 40.29 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.113 0.565 . . . . 73.44 109.86 175.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -89.37 110.74 21.51 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.375 -0.972 . . . . 73.11 108.375 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.477 HG11 ' HB ' ' A' ' 97' ' ' ILE . 2.6 p -138.04 125.39 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 123.207 0.603 . . . . 70.21 111.272 -175.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -109.81 158.56 18.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.465 1.106 . . . . 64.14 109.442 172.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -129.27 127.84 42.0 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.24 1.016 . . . . 74.14 108.404 179.01 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.417 HG22 HD11 ' A' ' 81' ' ' LEU . 28.9 m -132.12 178.73 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.709 0.804 . . . . 74.41 110.946 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 85' ' ' GLN . 85.5 m -144.75 -30.03 0.45 Allowed 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 114.269 -1.332 . . . . 72.44 110.487 -174.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 112' ' ' GLU . 12.4 t70 -94.74 157.38 15.97 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 124.218 1.007 . . . . 74.22 110.815 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.06 -59.47 3.01 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.195 1.398 . . . . 42.34 111.906 -174.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.04 -26.09 62.94 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.927 0.394 . . . . 71.33 110.122 -176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.534 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -66.21 -36.14 82.28 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 124.108 0.963 . . . . 74.43 110.127 174.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -66.85 -43.77 82.77 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.088 0.155 . . . . 42.14 111.354 172.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -39.18 92.54 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.774 0.829 . . . . 74.04 111.907 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -69.82 -36.66 75.82 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.378 0.271 . . . . 71.1 110.761 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.68 HG21 HD13 ' A' ' 81' ' ' LEU . 44.4 mm -62.67 -42.1 94.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 123.421 0.688 . . . . 72.13 111.04 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 113' ' ' ALA . 99.7 t -60.26 -45.33 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 123.958 0.786 . . . . 72.35 110.437 177.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.91 -38.27 90.46 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.272 0.629 . . . . 73.24 111.233 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.56 -44.49 82.18 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.823 0.702 . . . . 74.03 110.569 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -54.98 -41.43 71.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.021 0.928 . . . . 64.4 111.309 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 75.8 mtp -65.33 -29.18 69.9 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.079 -0.964 . . . . 75.41 111.545 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -66.11 -45.82 79.79 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.642 0.377 . . . . 62.23 110.542 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -28.1 64.96 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.56 0.344 . . . . 74.3 110.554 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.52 78.92 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.347 0.659 . . . . 65.22 110.403 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.73 -24.78 76.14 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-N 115.286 -0.87 . . . . 72.03 112.424 175.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.3 t -71.36 -22.58 61.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.782 0.833 . . . . 71.21 110.776 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.45 HD11 ' HG2' ' A' ' 77' ' ' LYS . 54.9 mt . . . . . 0 N--CA 1.475 0.791 0 C-N-CA 123.566 0.747 . . . . 62.41 110.304 175.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 121.494 0.664 . . . . 63.15 109.797 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 50' ' ' ASN . 28.8 tptt -90.25 109.39 20.48 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 107.915 -1.142 . . . . 61.21 107.915 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.459 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 70.6 mt -94.55 105.07 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 109.333 -0.617 . . . . 74.32 109.333 -178.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mp -101.99 136.33 42.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.412 0.685 . . . . 72.21 109.425 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 59.2 mt -114.69 111.26 35.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 107.266 -1.383 . . . . 60.2 107.266 166.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.527 ' HB3' HD23 ' A' ' 64' ' ' LEU . 65.6 mt -89.98 123.78 34.18 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.298 -0.63 . . . . 74.05 109.298 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.421 HG13 HG21 ' A' ' 18' ' ' ILE . 47.9 mm -115.37 115.17 48.55 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 C-N-CA 123.544 0.738 . . . . 72.44 109.295 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -117.09 101.66 8.67 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.922 -1.14 . . . . 74.24 107.922 168.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.521 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.4 t -132.23 136.61 47.12 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.054 0.454 . . . . 64.32 110.341 168.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -71.26 -19.02 62.4 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 114.871 -1.059 . . . . 63.42 110.319 175.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -89.85 106.83 18.73 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.524 1.13 . . . . 75.33 109.906 -175.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.08 -34.71 78.66 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.385 0.674 . . . . 53.1 111.831 -178.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 41.9 mt-10 -65.35 -36.04 82.82 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.182 0.593 . . . . 74.02 110.8 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' ' 113' ' ' ALA . 26.6 tp -71.63 -37.75 70.86 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.05 -0.523 . . . . 64.53 110.497 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.92 -48.95 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.018 0.527 . . . . 72.54 109.896 173.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 28.4 mtpp -53.36 -45.25 69.11 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.391 1.076 . . . . 72.22 111.861 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.569 ' HE2' HD11 ' A' ' 114' ' ' LEU . 58.0 mtpt -70.42 -36.59 74.09 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.893 -0.594 . . . . 70.03 111.684 -176.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.421 HG21 HG13 ' A' ' 7' ' ' ILE . 88.7 mt -69.55 -31.52 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 123.114 0.566 . . . . 52.12 110.584 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 2.1 mptm? -58.96 -52.96 63.52 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.433 -0.58 . . . . 75.32 109.433 169.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -56.72 -36.72 70.03 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.908 0.755 . . . . 73.23 111.607 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.66 -51.83 67.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.161 0.585 . . . . 72.52 111.58 173.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.581 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 9.2 m -75.36 -20.16 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 112.403 0.52 . . . . 64.41 112.403 -175.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 20.0 mm-40 -67.74 -42.69 81.45 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.125 0.57 . . . . 75.51 109.995 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -61.29 -27.59 68.58 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 114.776 -1.102 . . . . 74.45 111.457 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -96.56 -14.49 22.21 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.867 0.867 . . . . 64.43 112.185 -176.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.97 29.65 33.85 Favored Glycine 0 C--N 1.346 1.103 0 N-CA-C 114.2 0.44 . . . . 65.32 114.2 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.581 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 1.9 m-85 -81.36 150.72 28.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.172 0.589 . . . . 74.43 109.821 171.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.75 157.91 25.67 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.231 -1.026 . . . . 64.35 108.231 170.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.4 t -130.97 111.1 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 122.91 0.484 . . . . 64.13 109.789 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.51 ' HG2' ' HG3' ' A' ' 41' ' ' GLU . 14.5 tpt180 -104.7 120.8 42.19 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.286 -0.635 . . . . 60.41 109.286 169.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.99 120.61 31.34 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.794 0.838 . . . . 74.42 109.149 171.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.483 HG13 ' HB2' ' A' ' 37' ' ' GLU . 98.4 t -109.82 130.35 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.414 1.085 . . . . 51.04 108.593 177.283 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -109.46 -52.37 2.78 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.753 0.821 . . . . 71.51 108.787 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -111.08 160.35 16.96 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 114.789 -1.096 . . . . 72.34 111.334 -171.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.7 m -58.99 -26.83 64.84 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.216 1.406 . . . . 63.34 112.453 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 4.5 t70 -56.76 -56.3 23.2 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.8 0.84 . . . . 73.0 110.874 172.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 34.0 mt-10 -60.2 -36.59 78.01 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.794 -0.639 . . . . 75.44 110.897 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.402 HD22 HD22 ' A' ' 63' ' ' LEU . 58.8 tp -55.32 -61.49 2.3 Favored 'General case' 0 C--O 1.246 0.911 0 O-C-N 124.172 0.92 . . . . 74.13 111.181 176.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.493 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.85 -32.02 73.52 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 123.485 0.491 . . . . 73.45 112.009 -174.425 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 8.9 mtmp? -57.59 -50.65 72.42 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.478 0.311 . . . . 74.11 110.76 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.51 ' HG3' ' HG2' ' A' ' 30' ' ' ARG . 14.3 mm-40 -66.62 -37.42 84.83 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.112 0.882 . . . . 71.44 110.251 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 mmt -61.17 -40.74 95.02 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.142 0.577 . . . . 75.43 111.916 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 5.5 mptp? -62.41 -46.28 89.32 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 109.548 -0.538 . . . . 74.32 109.548 173.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HA ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -61.75 -35.73 78.94 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.15 0.58 . . . . 71.31 111.876 -178.291 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 89.8 mt -73.84 -33.92 64.31 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.474 0.31 . . . . 44.32 110.297 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.54 -42.45 67.88 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.861 0.464 . . . . 73.14 111.948 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -80.58 -52.36 7.68 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.811 0.844 . . . . 73.1 111.756 -172.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -75.91 170.2 16.69 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.334 0.654 . . . . 62.4 111.427 -174.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -64.39 115.08 4.75 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.276 1.03 . . . . 73.44 110.008 -171.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.439 ' HA ' ' HD3' ' A' ' 2' ' ' LYS . 5.2 t-20 -82.01 27.38 0.47 Allowed 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 124.206 1.002 . . . . 74.02 113.101 -162.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -115.22 112.27 22.23 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.487 -0.758 . . . . 74.32 109.662 160.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -172.46 153.77 2.99 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.197 1.399 . . . . 74.44 109.302 166.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 37.1 mtmm -103.77 110.13 22.11 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.3 -0.864 . . . . 74.5 109.132 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 55.7 mt -127.96 126.75 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.681 0.792 . . . . 75.1 110.1 -174.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.534 HD13 HG11 ' A' ' 22' ' ' VAL . 19.8 tp -79.15 124.81 28.68 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.097 0.959 . . . . 34.31 108.796 166.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.4 mm -109.57 115.16 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 108.483 -0.932 . . . . 70.24 108.483 170.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -90.76 140.8 29.44 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.053 -1.091 . . . . 55.13 108.053 171.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.627 ' HB3' HD11 ' A' ' 64' ' ' LEU . 29.6 t -164.58 117.93 1.33 Allowed 'General case' 0 C--O 1.241 0.612 0 N-CA-C 108.235 -1.024 . . . . 72.04 108.235 168.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -76.18 -11.69 59.97 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.643 0.777 . . . . 51.4 111.781 -177.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -97.15 114.7 26.42 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 108.774 -0.824 . . . . 64.14 108.774 170.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.545 ' HA ' HD13 ' A' ' 64' ' ' LEU . 4.3 pttp -76.94 -20.81 55.71 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.531 0.732 . . . . 74.11 112.826 -173.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -63.6 -40.24 96.42 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.316 0.507 . . . . 74.05 109.633 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.402 HD22 HD22 ' A' ' 38' ' ' LEU . 88.5 mt -55.75 -34.29 65.07 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 124.153 0.908 . . . . 70.55 111.897 176.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.3 mp -74.81 -42.09 58.71 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.189 0.596 . . . . 73.25 111.314 -177.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -67.72 -43.51 79.85 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 122.558 0.343 . . . . 75.1 110.103 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.12 -37.75 83.91 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 114.947 -1.024 . . . . 71.12 110.56 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.444 ' SD ' HD21 ' A' ' 6' ' ' LEU . 33.3 ttm -62.21 -44.9 95.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.86 0.864 . . . . 71.13 110.011 177.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.99 -28.33 69.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.962 0.905 . . . . 74.12 111.725 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.45 -24.39 60.22 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.476 0.71 . . . . 73.35 111.091 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.8 mt -84.91 -35.02 22.4 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.255 0.622 . . . . 62.32 110.256 172.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.597 HD13 HG21 ' A' ' 78' ' ' VAL . 84.5 mt -71.14 -29.21 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 124.913 1.285 . . . . 72.31 111.392 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.9 p -59.69 -30.48 68.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.055 0.542 . . . . 53.1 111.101 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -82.01 -32.09 30.7 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.527 0.731 . . . . 73.13 110.798 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.8 mt -75.27 -47.6 27.25 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.51 0.724 . . . . 71.41 111.12 -177.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.79 71.77 1.23 Allowed Glycine 0 C--N 1.342 0.886 0 CA-C-N 115.907 -0.588 . . . . 52.32 113.606 173.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -152.95 166.99 30.65 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.45 0.537 . . . . 73.05 112.45 172.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 77' ' ' LYS . 11.3 mmpt? -82.29 130.12 35.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.586 1.154 . . . . 73.14 111.066 -175.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.597 HG21 HD13 ' A' ' 71' ' ' ILE . 48.6 t -131.34 134.49 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.823 0.849 . . . . 64.11 109.698 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -114.66 109.43 18.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.32 1.048 . . . . 74.1 108.867 -175.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.7 tp -99.15 139.67 34.46 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.625 0.77 . . . . 74.41 111.287 -174.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.519 HD13 HG21 ' A' ' 116' ' ' ILE . 45.3 tp -132.61 126.19 32.16 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.697 1.199 . . . . 72.04 108.994 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.59 ' HB3' HD22 ' A' ' 90' ' ' LEU . 91.9 mt -114.97 130.33 56.91 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.958 1.303 . . . . 72.04 108.702 -178.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.521 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -148.19 111.74 5.01 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.615 0.643 . . . . 64.55 111.475 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.507 ' HB3' HD11 ' A' ' 90' ' ' LEU . 11.6 t0 -164.56 153.93 13.45 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.012 0.925 . . . . 62.32 108.924 -178.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -59.69 -36.92 77.47 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.197 0.999 . . . . 73.12 110.878 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -82.5 81.66 8.23 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.956 0.884 . . . . 71.54 108.776 175.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.61 -14.18 59.71 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.569 -1.196 . . . . 75.51 111.622 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -65.21 -55.62 17.48 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.286 1.035 . . . . 61.21 111.214 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -70.62 -31.51 68.5 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.202 -0.454 . . . . 73.3 110.121 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 82' ' ' LEU . 59.1 mt -60.03 -42.19 93.88 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.374 0.421 . . . . 65.44 111.143 171.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -66.63 -43.12 85.57 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.09 0.556 . . . . 71.11 110.187 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.49 ' HA ' ' HD3' ' A' ' 95' ' ' ARG . 0.4 OUTLIER -68.34 -35.87 78.41 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.857 -0.61 . . . . 62.43 110.134 179.762 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -68.52 -46.71 68.86 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.309 -0.86 . . . . 74.14 111.302 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.63 -26.04 67.64 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.742 0.417 . . . . 71.24 111.789 -177.05 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.49 ' HD3' ' HA ' ' A' ' 92' ' ' GLU . 41.7 mtp85 -60.5 -39.24 87.03 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.718 0.807 . . . . 74.21 111.33 173.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.56 -27.78 60.65 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.49 0.716 . . . . 62.11 110.905 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.6 mm -74.52 -34.73 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-O 121.311 0.576 . . . . 74.32 109.692 176.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.91 -35.42 81.1 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.982 -1.008 . . . . 64.42 110.253 171.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -70.76 -31.56 68.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.462 0.705 . . . . 64.15 110.767 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -76.32 -19.71 57.97 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.38 0.672 . . . . 73.52 110.479 172.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.86 40.66 16.68 Favored Glycine 0 C--N 1.348 1.237 0 CA-C-N 116.103 -0.499 . . . . 64.42 113.557 173.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.72 157.09 18.86 Favored 'General case' 0 C--O 1.246 0.882 0 C-N-CA 123.429 0.692 . . . . 75.02 109.594 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.51 123.33 19.36 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 108.599 -0.889 . . . . 75.52 108.599 171.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.43 137.08 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.348 0.659 . . . . 75.52 110.318 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -131.34 130.64 42.94 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.524 0.73 . . . . 71.45 110.146 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.41 117.82 35.55 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.119 -1.437 . . . . 75.34 107.119 173.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.58 158.32 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.127 0.971 . . . . 63.43 109.671 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.8 p -134.33 0.78 3.11 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.297 0.639 . . . . 62.23 111.436 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -117.35 147.02 43.0 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 108.898 -0.778 . . . . 62.11 108.898 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.05 -39.64 79.02 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.396 0.435 . . . . 60.45 110.663 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.41 -37.5 87.54 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.134 0.574 . . . . 73.44 110.541 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.561 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -72.33 -32.27 66.37 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.098 -0.955 . . . . 65.41 109.775 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.406 ' HB3' HD11 ' A' ' 14' ' ' LEU . . . -67.88 -44.16 77.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.58 0.352 . . . . 43.42 111.33 173.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.569 HD11 ' HE2' ' A' ' 17' ' ' LYS . 95.1 mt -60.24 -45.21 94.04 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.684 0.615 . . . . 75.21 111.754 -178.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -63.29 -35.71 81.28 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 123.442 0.464 . . . . 72.52 110.38 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 112' ' ' GLU . 47.8 mm -66.94 -40.02 84.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 123.297 0.639 . . . . 74.31 110.859 177.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.448 ' O ' ' HG2' ' A' ' 121' ' ' MET . 93.2 t -62.72 -39.62 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.034 0.534 . . . . 72.1 110.262 176.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 21.1 mtp180 -64.46 -39.96 94.8 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.791 0.837 . . . . 65.42 111.0 178.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.475 ' HB3' ' NZ ' ' A' ' 123' ' ' LYS . 41.6 mt-10 -71.42 -35.4 70.97 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.407 -0.815 . . . . 75.1 111.032 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -61.42 -28.61 69.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.908 0.883 . . . . 75.43 111.088 175.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 25.3 mmt -71.25 -33.17 69.57 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.137 0.575 . . . . 74.12 110.939 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.57 -42.71 58.26 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 109.327 -0.62 . . . . 72.31 109.327 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.475 ' NZ ' ' HB3' ' A' ' 119' ' ' GLU . 57.4 mttp -64.85 -40.19 94.76 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.45 -1.25 . . . . 70.22 110.673 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.452 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -69.22 -37.65 78.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.703 0.801 . . . . 51.42 110.452 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -68.0 -25.68 74.26 Favored Glycine 0 C--N 1.351 1.413 0 CA-C-N 115.427 -0.806 . . . . 44.13 112.955 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.5 m -65.02 -32.93 74.89 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.566 0.747 . . . . 63.13 111.017 176.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 37.8 mt . . . . . 0 N--CA 1.477 0.899 0 C-N-CA 124.265 1.026 . . . . 70.51 111.896 -173.977 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.902 0.382 . . . . 74.54 110.071 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 27.8 mtpp -131.06 151.76 51.09 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.408 -1.33 . . . . 73.42 107.408 172.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.484 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 65.5 mt -111.35 104.07 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 108.093 -1.077 . . . . 74.11 108.093 174.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.473 HD21 HD13 ' A' ' 45' ' ' LEU . 10.6 mp -113.8 123.48 49.92 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 109.376 -0.602 . . . . 73.24 109.376 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.9 mt -99.6 109.74 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 107.935 -1.135 . . . . 75.02 107.935 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.468 HD11 ' SD ' ' A' ' 67' ' ' MET . 0.4 OUTLIER -87.42 123.34 32.25 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.985 -1.007 . . . . 61.32 108.487 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.9 mm -115.97 129.45 72.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 109.13 -0.692 . . . . 61.41 109.13 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.495 ' HB2' HD21 ' A' ' 64' ' ' LEU . 55.0 t-20 -135.4 104.47 5.86 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 107.202 -1.407 . . . . 54.15 107.202 169.083 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.493 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.6 t -128.42 142.83 50.98 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.535 -0.757 . . . . 74.05 110.273 172.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -72.94 -24.02 60.75 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.811 -1.086 . . . . 73.53 110.263 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -83.92 106.57 15.7 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.744 -0.835 . . . . 72.04 108.744 -178.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.75 -35.45 81.12 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.614 0.766 . . . . 63.24 111.488 -175.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 42.6 mt-10 -72.92 -30.56 64.0 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.727 -0.669 . . . . 73.51 110.582 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.423 HD23 ' OG1' ' A' ' 9' ' ' THR . 32.6 tp -66.3 -35.42 80.34 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.92 0.488 . . . . 71.21 110.181 174.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.432 HG21 ' HE3' ' A' ' 57' ' ' LYS . 88.8 mt -56.35 -50.56 71.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 123.459 0.474 . . . . 71.22 109.797 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -53.32 -38.87 63.59 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 124.431 1.082 . . . . 70.44 111.025 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 28.3 mtpp -72.24 -50.73 25.1 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.891 0.876 . . . . 74.04 111.106 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.401 HG23 HG21 ' A' ' 117' ' ' VAL . 76.7 mt -60.33 -34.76 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.961 0.904 . . . . 64.41 111.245 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HE3' HG11 ' A' ' 29' ' ' VAL . 60.1 mtpt -59.43 -51.01 71.73 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 123.242 0.617 . . . . 54.15 109.746 173.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -65.42 -28.55 69.33 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.307 0.643 . . . . 74.13 112.193 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.52 -54.04 45.85 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.293 0.637 . . . . 73.2 110.331 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.709 HG11 HD13 ' A' ' 55' ' ' LEU . 18.8 m -76.45 -29.78 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 116.175 -0.466 . . . . 64.52 111.823 -173.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -61.94 -40.57 95.97 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.544 0.737 . . . . 71.23 109.815 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.77 -37.51 86.94 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.1 -0.954 . . . . 63.11 110.848 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -81.61 -12.68 58.64 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.475 0.71 . . . . 50.15 111.78 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.29 38.21 5.14 Favored Glycine 0 C--N 1.351 1.376 0 N-CA-C 114.264 0.466 . . . . 54.1 114.264 173.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.461 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 7.1 m-85 -101.87 144.32 30.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.84 0.856 . . . . 72.23 110.289 176.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -79.75 113.41 17.88 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.484 -0.932 . . . . 72.42 108.484 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.573 HG11 ' HE3' ' A' ' 19' ' ' LYS . 45.2 t -79.98 119.15 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 109.358 -0.608 . . . . 64.34 109.358 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -122.03 133.22 54.8 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.462 1.105 . . . . 63.41 108.05 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -111.95 116.51 30.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.119 0.968 . . . . 43.14 111.979 -163.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.407 HG12 HD13 ' A' ' 63' ' ' LEU . 22.4 t -105.96 121.27 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.832 0.853 . . . . 60.22 109.126 171.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -113.61 -25.74 8.58 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.029 0.532 . . . . 63.32 111.573 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.467 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 26.7 t70 -141.26 168.05 20.71 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 122.695 0.398 . . . . 73.32 110.965 -167.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.5 t -68.13 -37.11 80.73 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.525 1.13 . . . . 75.32 111.601 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.96 -50.42 64.39 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.873 -0.788 . . . . 75.44 108.873 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.467 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 67.2 mm-40 -51.57 -44.76 62.86 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 124.285 0.99 . . . . 74.33 110.333 176.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.1 tp -55.35 -61.92 2.02 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.767 1.292 . . . . 64.51 111.012 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -33.38 75.79 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.368 0.417 . . . . 74.31 111.806 -172.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 11.2 mmmm -59.65 -63.52 1.27 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.324 0.649 . . . . 73.42 110.157 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.7 pt-20 -75.12 -24.6 58.07 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.896 -0.593 . . . . 54.35 112.246 -172.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.708 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 12.0 mtp -72.06 -41.69 67.1 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.005 0.522 . . . . 75.41 111.838 178.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.52 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 11.6 mtpp -68.45 -24.34 64.71 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.959 -0.543 . . . . 74.54 110.52 176.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -70.65 -31.06 67.86 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 110.129 -0.322 . . . . 74.22 110.129 171.02 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.473 HD13 HD21 ' A' ' 4' ' ' LEU . 94.0 mt -73.08 -34.5 66.26 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.241 0.617 . . . . 74.55 110.957 176.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.71 -31.07 63.21 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.366 -0.833 . . . . 31.01 110.925 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 44.4 mt-10 -77.16 -61.26 2.04 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.176 -0.676 . . . . 72.44 109.176 172.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -87.8 83.98 7.08 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.791 1.236 . . . . 64.2 109.549 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HA ' ' HD2' ' A' ' 2' ' ' LYS . 10.2 mtmp? -89.89 22.61 3.08 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 114.794 -1.094 . . . . 70.14 111.443 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -50.66 133.57 25.51 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.996 1.319 . . . . 51.42 111.354 175.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -63.4 93.73 0.07 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.47 -0.937 . . . . 64.31 108.47 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -141.19 138.24 33.22 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 114.915 -1.039 . . . . 63.23 108.935 -172.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 52.8 mtmt -95.15 98.66 10.8 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.933 0.893 . . . . 75.22 109.442 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.7 mt -112.44 126.29 69.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 123.885 0.874 . . . . 74.41 109.46 -173.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.709 HD13 HG11 ' A' ' 22' ' ' VAL . 15.6 tp -79.93 107.44 12.71 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 107.957 -1.127 . . . . 64.33 107.957 167.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.2 mm -90.6 105.69 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 107.507 -1.294 . . . . 72.24 107.507 173.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HE3' HG21 ' A' ' 15' ' ' ILE . 12.8 tmtt? -91.66 145.71 24.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.363 -0.835 . . . . 75.01 108.862 177.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.512 ' HB3' HD11 ' A' ' 64' ' ' LEU . 35.1 t -157.38 170.7 21.85 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 124.103 0.961 . . . . 73.02 108.987 171.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -135.1 14.76 3.54 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.183 0.993 . . . . 72.4 110.877 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -149.02 118.94 7.1 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.528 0.731 . . . . 72.2 110.272 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.451 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -63.48 -21.53 66.37 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.217 1.007 . . . . 63.42 113.372 -175.623 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 14.0 mm100 -69.65 -39.22 77.21 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 109.153 -0.684 . . . . 72.1 109.153 -178.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.407 HD13 HG12 ' A' ' 32' ' ' VAL . 81.2 mt -58.36 -36.85 74.09 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 124.086 0.866 . . . . 71.23 110.604 173.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 58' ' ' SER . 9.0 mp -72.05 -35.46 69.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.724 0.81 . . . . 73.34 111.29 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 55.7 mtpt -60.89 -50.07 74.92 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.606 -0.516 . . . . 72.51 109.606 176.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 8.4 mm-40 -66.66 -32.73 74.23 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.437 1.086 . . . . 73.24 111.041 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.708 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 44.0 ttm -64.01 -55.3 23.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.011 0.924 . . . . 73.12 110.285 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.403 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 80.1 mt -69.64 -17.35 63.51 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.754 -1.112 . . . . 74.24 112.695 -173.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 36.0 mm-40 -60.54 -51.88 67.53 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.804 0.442 . . . . 73.24 110.501 170.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.75 -36.57 73.19 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.556 -0.747 . . . . 40.41 110.385 -178.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.453 HG21 HG21 ' A' ' 78' ' ' VAL . 58.5 mt -67.24 -31.83 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 115.705 -0.679 . . . . 64.11 111.507 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.4 m -58.37 -37.29 74.93 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.061 0.545 . . . . 43.15 111.181 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -74.2 -32.96 63.26 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.947 0.899 . . . . 74.01 110.999 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.5 mt -78.06 -31.98 50.59 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.725 -0.67 . . . . 64.54 110.467 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.79 82.18 0.07 OUTLIER Glycine 0 C--N 1.346 1.087 0 C-N-CA 124.488 1.042 . . . . 71.15 114.88 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -148.86 165.17 32.33 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.207 0.527 . . . . 72.12 111.49 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -77.16 102.89 6.79 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.032 -0.986 . . . . 72.11 111.409 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.453 HG21 HG21 ' A' ' 71' ' ' ILE . 87.8 t -98.46 131.61 45.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-N 114.691 -1.14 . . . . 74.04 108.928 168.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -102.96 103.46 13.58 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 108.257 -1.016 . . . . 73.21 108.257 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 6' ' ' LEU . 23.8 tp -95.53 135.69 36.86 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.547 0.739 . . . . 72.21 110.622 -178.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.476 HD21 ' HB1' ' A' ' 113' ' ' ALA . 57.5 tp -121.57 129.89 53.15 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.257 1.023 . . . . 71.24 108.842 173.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.545 ' HB3' HD22 ' A' ' 90' ' ' LEU . 96.0 mt -115.18 102.47 9.93 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.389 -0.967 . . . . 52.41 108.389 175.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.493 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -117.04 108.23 15.5 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.28 0.562 . . . . 70.22 110.144 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.539 ' HB3' HD11 ' A' ' 90' ' ' LEU . 18.1 t0 -171.24 142.66 1.77 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 108.232 -1.025 . . . . 53.13 108.232 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -73.99 -18.52 60.85 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.855 -0.612 . . . . 71.22 110.985 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -82.21 76.76 9.07 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 107.441 -1.318 . . . . 65.22 107.441 163.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.602 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 7.7 pt-20 -78.16 -14.73 59.35 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.676 -1.147 . . . . 65.21 111.8 -175.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -62.3 -51.35 68.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.859 0.864 . . . . 71.04 110.83 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.53 -31.86 65.65 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.287 -0.415 . . . . 74.41 110.649 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 82' ' ' LEU . 62.0 mt -59.8 -42.19 92.89 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 110.261 -0.274 . . . . 61.43 110.261 173.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.94 -51.48 69.49 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 124.09 0.869 . . . . 72.44 109.879 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -53.79 -50.19 66.63 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.16 0.913 . . . . 61.23 110.648 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -63.13 -51.48 66.34 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 124.368 1.042 . . . . 65.22 111.623 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -64.87 -21.28 66.78 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.69 0.396 . . . . 74.14 111.955 -175.668 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -68.31 -32.64 72.91 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.968 0.507 . . . . 73.21 111.717 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -72.05 -41.65 67.19 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.243 0.544 . . . . 64.21 110.208 172.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.434 HG22 ' HB2' ' A' ' 102' ' ' TYR . 22.5 mm -74.55 -42.82 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 115.267 -0.879 . . . . 64.32 111.142 -169.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -69.09 -30.91 69.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.234 1.014 . . . . 64.11 110.483 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.9 t -63.51 -33.96 76.74 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.44 0.696 . . . . 61.34 111.022 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -80.57 -3.07 48.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.732 0.813 . . . . 64.05 111.703 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.05 9.46 67.62 Favored Glycine 0 C--N 1.348 1.202 0 N-CA-C 113.79 0.276 . . . . 61.42 113.79 175.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.434 ' HB2' HG22 ' A' ' 97' ' ' ILE . 88.5 m-85 -75.65 149.27 38.22 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 109.538 -0.541 . . . . 75.5 109.538 172.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -87.44 100.13 12.52 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 108.578 -0.897 . . . . 74.44 108.578 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.9 p -125.7 117.43 49.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 122.926 0.49 . . . . 72.32 110.389 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -101.23 135.47 42.65 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.513 -0.767 . . . . 75.41 109.098 173.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.602 ' HE2' ' HB2' ' A' ' 87' ' ' GLU . 13.1 tmtt? -113.44 117.65 32.33 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.68 1.192 . . . . 75.2 108.681 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 23.8 m -136.79 -174.1 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.925 1.29 . . . . 62.02 109.52 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.8 p -122.73 -63.74 1.24 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.399 0.68 . . . . 55.21 111.378 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -85.89 171.12 11.74 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.03 0.919 . . . . 73.41 113.334 -167.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.416 ' HB3' HD13 ' A' ' 14' ' ' LEU . 4.4 m-20 -74.38 -51.54 14.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 114.053 -1.431 . . . . 63.14 111.237 -169.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -55.49 -36.84 67.09 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.83 0.852 . . . . 52.15 111.57 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.574 ' O ' HG12 ' A' ' 116' ' ' ILE . 21.2 tp10 -75.33 -41.64 56.29 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 123.547 0.739 . . . . 74.41 109.952 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.476 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -59.09 -39.57 82.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.683 0.393 . . . . 73.14 111.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.24 -51.8 68.43 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.033 0.933 . . . . 63.22 111.599 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -66.61 -32.87 74.48 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.42 0.45 . . . . 73.31 111.072 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 112' ' ' GLU . 48.3 mm -64.26 -41.88 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.146 0.578 . . . . 75.54 110.524 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.506 ' O ' ' SD ' ' A' ' 121' ' ' MET . 79.7 t -56.56 -50.97 71.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 O-C-N 123.801 0.688 . . . . 64.52 109.807 174.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.507 ' HA ' ' SD ' ' A' ' 121' ' ' MET . 59.4 mtp85 -63.78 -26.68 68.75 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.031 0.832 . . . . 65.04 111.212 -176.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -75.57 -35.26 60.65 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.401 0.68 . . . . 73.04 111.467 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.447 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 11.7 m-85 -54.58 -49.79 69.54 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.145 0.578 . . . . 74.41 112.223 178.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.553 ' HA ' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -67.25 -21.02 65.75 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 123.513 0.508 . . . . 70.32 111.865 178.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -66.95 -44.3 80.95 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.292 0.496 . . . . 72.34 110.478 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -72.33 -31.95 66.1 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.513 0.325 . . . . 75.22 110.573 174.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' A' ' 121' ' ' MET . . . -72.31 -12.19 61.03 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.596 0.758 . . . . 62.32 111.222 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.35 -38.35 96.12 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 112.093 -0.403 . . . . 72.04 112.093 171.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.5 m -61.92 -30.78 71.13 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.695 0.798 . . . . 74.51 111.602 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 N--CA 1.473 0.687 0 C-N-CA 123.498 0.719 . . . . 73.4 110.6 -175.891 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.773 -0.455 . . . . 72.12 109.773 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.46 ' HG3' ' H ' ' A' ' 52' ' ' GLU . 10.8 ttmm -158.26 149.67 21.15 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.589 -1.263 . . . . 74.23 107.589 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.518 HD13 ' HB1' ' A' ' 124' ' ' ALA . 73.0 mt -111.66 103.61 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.497 -0.557 . . . . 63.22 109.497 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.507 HD21 HD13 ' A' ' 45' ' ' LEU . 10.9 mp -107.66 131.18 54.67 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.53 -0.915 . . . . 63.42 108.53 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.543 HG12 ' HB2' ' A' ' 79' ' ' PHE . 20.8 mt -109.86 114.62 47.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.123 -1.066 . . . . 70.4 108.123 170.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.541 HD21 ' SD ' ' A' ' 67' ' ' MET . 77.2 mt -89.79 133.68 34.58 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.468 0.707 . . . . 71.23 109.106 178.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.8 mm -124.11 116.65 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.925 -0.769 . . . . 71.45 108.925 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.439 ' OD1' ' HB3' ' A' ' 61' ' ' LYS . 5.2 t-20 -128.01 102.16 6.62 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 108.294 -1.002 . . . . 72.1 108.294 166.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 t -127.78 139.67 52.52 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 107.809 -1.182 . . . . 74.31 107.809 170.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -69.67 -39.68 76.87 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.358 0.411 . . . . 71.13 110.258 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -76.78 93.96 3.78 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.508 -0.769 . . . . 54.23 109.009 174.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.74 -22.16 66.92 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.357 1.463 . . . . 61.31 112.624 -171.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.62 -30.69 70.33 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.26 0.624 . . . . 72.32 111.311 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' A' ' 110' ' ' ASP . 27.9 tp -61.7 -35.15 77.19 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.051 0.54 . . . . 62.14 110.962 175.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.694 HG21 ' HG3' ' A' ' 57' ' ' LYS . 68.4 mt -58.57 -35.98 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.252 0.621 . . . . 74.34 110.784 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -63.7 -34.98 79.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.438 0.461 . . . . 73.41 110.053 -178.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.583 ' HE2' HD11 ' A' ' 114' ' ' LEU . 45.5 mtpt -74.7 -43.77 53.42 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.786 0.834 . . . . 74.23 110.485 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.3 mt -61.7 -38.13 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.3 1.04 . . . . 72.22 110.187 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HE2' HG11 ' A' ' 29' ' ' VAL . 9.2 mtpm? -57.55 -50.41 73.2 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 115.348 -0.842 . . . . 71.22 109.583 176.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -63.34 -33.75 76.21 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 123.42 0.45 . . . . 72.14 111.814 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -65.66 -43.42 89.4 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.031 0.532 . . . . 65.5 111.872 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.653 HG11 HD13 ' A' ' 55' ' ' LEU . 10.8 m -76.64 -26.98 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.176 0.19 . . . . 61.14 110.693 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.75 -32.8 73.66 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.872 0.869 . . . . 62.21 109.929 176.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -61.71 -35.21 77.38 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.53 0.732 . . . . 60.34 110.79 171.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -90.1 -9.35 48.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.426 0.69 . . . . 62.31 110.987 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.11 31.35 20.33 Favored Glycine 0 C--N 1.349 1.286 0 N-CA-C 114.473 0.549 . . . . 51.44 114.473 173.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -82.09 148.03 28.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.256 0.623 . . . . 73.34 109.679 172.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -79.37 158.35 27.43 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.348 -0.982 . . . . 73.55 108.348 165.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.452 HG13 HD23 ' A' ' 55' ' ' LEU . 31.9 t -131.96 119.22 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 122.826 0.45 . . . . 75.12 109.84 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -131.3 159.21 38.52 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 108.898 -0.779 . . . . 74.15 108.898 169.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -127.41 136.89 52.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.048 0.539 . . . . 71.13 111.285 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.4 t -100.34 115.02 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.487 1.115 . . . . 73.41 108.668 174.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -89.44 -31.16 17.84 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.844 0.458 . . . . 61.33 110.988 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -144.57 160.72 40.68 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.921 0.488 . . . . 72.53 111.325 -174.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -56.25 -29.67 61.38 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.117 1.367 . . . . 75.34 112.642 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.542 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 21.8 t70 -57.71 -56.15 25.66 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 123.723 0.639 . . . . 73.45 110.181 175.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.58 -41.26 94.29 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.989 0.805 . . . . 70.03 110.761 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 tp -48.51 -62.28 1.58 Allowed 'General case' 0 C--N 1.352 0.707 0 O-C-N 125.006 1.441 . . . . 62.35 111.228 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -70.18 -33.06 71.27 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.423 0.452 . . . . 73.31 111.932 -175.369 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -58.41 -51.66 68.91 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.662 0.385 . . . . 62.34 110.997 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 7.8 pt-20 -80.21 -27.97 38.7 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 119.058 -0.496 . . . . 62.22 111.157 -177.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.407 ' SD ' HD12 ' A' ' 45' ' ' LEU . 75.5 mmm -66.01 -30.64 71.21 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 118.03 0.377 . . . . 63.54 111.408 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 6.3 mptp? -66.19 -41.49 90.15 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.692 -0.484 . . . . 70.43 109.692 172.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.05 -38.9 86.65 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.263 0.625 . . . . 74.33 110.431 -178.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.507 HD13 HD21 ' A' ' 4' ' ' LEU . 93.1 mt -67.06 -44.48 80.03 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.189 0.996 . . . . 74.25 110.204 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.24 83.48 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.497 -0.774 . . . . 63.45 111.37 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.46 -68.11 0.45 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.271 0.628 . . . . 63.54 112.285 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -153.27 110.99 3.55 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 122.886 0.475 . . . . 73.32 110.424 -168.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -163.4 3.11 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.455 0.702 . . . . 73.05 111.07 168.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 67.85 171.2 0.27 Allowed 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 124.806 1.242 . . . . 73.02 110.632 174.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -56.04 103.98 0.12 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.004 -0.739 . . . . 72.35 109.004 166.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.46 ' H ' ' HG3' ' A' ' 2' ' ' LYS . 9.8 tp10 -137.3 145.21 43.18 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.151 0.5 . . . . 73.25 110.764 -172.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -97.29 105.14 17.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.984 1.314 . . . . 73.11 108.371 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.3 mt -123.63 144.15 34.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.561 0.744 . . . . 60.4 109.43 -175.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.653 HD13 HG11 ' A' ' 22' ' ' VAL . 16.8 tp -112.64 112.51 24.09 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 107.686 -1.228 . . . . 34.15 107.686 175.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.0 mm -101.77 117.4 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 109.662 -0.496 . . . . 74.32 109.662 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.694 ' HG3' HG21 ' A' ' 15' ' ' ILE . 12.8 tmtt? -96.13 145.83 25.17 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.346 1.059 . . . . 61.24 110.124 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.532 ' HB3' HD11 ' A' ' 64' ' ' LEU . 48.4 t -159.74 158.35 31.1 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.473 0.709 . . . . 64.22 110.187 169.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -90.89 -20.62 22.04 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.855 0.862 . . . . 60.04 110.111 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.57 117.15 32.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.247 1.019 . . . . 61.13 109.238 -175.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.491 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -77.46 -11.91 59.9 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.725 0.81 . . . . 53.53 112.9 -178.118 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 10.6 mm100 -74.59 -32.52 62.4 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.707 -0.479 . . . . 64.21 109.707 -178.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.02 -37.56 83.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.58 0.752 . . . . 73.23 110.058 171.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.534 HD23 HD13 ' A' ' 80' ' ' LEU . 7.7 mp -68.16 -32.4 72.62 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 114.837 -1.074 . . . . 71.12 110.227 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 52.6 mtpt -65.85 -54.81 21.78 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.545 0.338 . . . . 64.55 110.109 176.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 13.8 mm-40 -63.84 -25.98 68.41 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.248 0.968 . . . . 73.01 111.146 -176.003 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.541 ' SD ' HD21 ' A' ' 6' ' ' LEU . 38.0 ttm -66.85 -51.8 51.2 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.714 0.806 . . . . 53.31 109.869 172.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.407 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 97.6 mt -66.04 -25.99 67.3 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.022 0.929 . . . . 65.4 112.263 -177.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 37.6 mm-40 -64.53 -36.14 83.25 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.945 0.498 . . . . 55.44 110.533 174.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.9 mt -77.49 -40.63 42.32 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.449 0.699 . . . . 64.01 110.256 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.521 HD13 HG21 ' A' ' 78' ' ' VAL . 73.8 mt -66.42 -31.12 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.616 1.166 . . . . 74.43 111.862 -176.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.5 p -62.1 -29.56 70.4 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.762 0.425 . . . . 74.53 111.545 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -86.48 -29.72 22.55 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.019 0.527 . . . . 73.34 110.656 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.04 -26.0 61.14 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.059 0.544 . . . . 71.02 111.12 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.93 63.07 3.46 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.743 0.652 . . . . 61.03 114.397 173.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -149.33 158.23 44.0 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 121.011 0.434 . . . . 50.51 111.548 172.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -80.1 138.56 36.97 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.963 -1.017 . . . . 75.32 111.682 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 71' ' ' ILE . 91.9 t -129.65 144.33 38.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 124.505 1.122 . . . . 64.24 109.51 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.543 ' HB2' HG12 ' A' ' 5' ' ' ILE . 55.2 m-85 -117.95 108.82 15.75 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 124.171 0.988 . . . . 75.45 108.85 -175.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.534 HD13 HD23 ' A' ' 64' ' ' LEU . 20.5 tp -106.2 134.42 49.36 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.9 -0.408 . . . . 73.43 109.9 -176.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.423 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 40.7 tp -124.91 124.73 42.69 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.388 0.675 . . . . 63.32 109.464 174.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.541 ' HB3' HD13 ' A' ' 90' ' ' LEU . 51.7 mt -110.97 137.49 48.53 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.754 1.222 . . . . 61.34 108.293 177.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.64 126.13 10.9 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 117.861 0.3 . . . . 62.13 110.571 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -174.67 163.09 3.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.384 0.673 . . . . 64.35 110.163 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -72.03 -29.94 64.69 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.165 0.986 . . . . 71.53 111.361 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -87.49 61.93 6.84 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 122.778 1.275 . . . . 65.35 108.073 168.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.407 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 0.7 OUTLIER -75.46 -16.58 60.31 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 113.986 -1.461 . . . . 75.12 111.569 -176.631 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.91 -44.36 96.95 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.708 1.203 . . . . 64.01 111.632 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.42 -49.38 66.96 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.804 0.442 . . . . 74.14 110.578 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 82' ' ' LEU . 98.9 mt -63.03 -23.41 67.44 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.196 -0.911 . . . . 71.21 111.413 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.54 -39.49 91.83 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.356 1.062 . . . . 53.32 111.064 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.28 -34.66 25.71 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.469 0.308 . . . . 74.53 110.52 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.433 ' HD2' HD11 ' A' ' 82' ' ' LEU . 54.2 t80 -56.88 -48.36 78.32 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.503 0.721 . . . . 71.35 110.191 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.56 -27.34 68.37 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.158 -0.928 . . . . 74.31 111.73 -178.159 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -66.94 -41.97 86.05 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.898 0.479 . . . . 74.22 110.743 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.33 -48.6 79.11 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.695 0.622 . . . . 64.41 110.628 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.403 ' HB ' HG11 ' A' ' 104' ' ' VAL . 48.3 mm -64.38 -33.92 65.93 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 123.497 0.719 . . . . 72.14 110.618 -177.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.39 -34.13 72.19 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.206 1.002 . . . . 72.02 111.066 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.4 t -74.98 -13.18 60.48 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.433 0.693 . . . . 64.55 111.026 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -90.45 -0.76 57.79 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.95 0.9 . . . . 71.13 111.085 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.94 25.99 35.98 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 116.573 -0.285 . . . . 63.14 113.407 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -106.8 140.37 39.75 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.688 0.395 . . . . 62.21 110.223 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 79' ' ' PHE . 15.6 tp10 -78.0 102.46 7.4 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.693 -0.854 . . . . 62.41 108.693 178.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.403 HG11 ' HB ' ' A' ' 97' ' ' ILE . 2.8 p -133.81 133.52 56.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 123.065 0.546 . . . . 75.23 110.861 -172.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -128.42 158.77 37.38 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.884 0.874 . . . . 74.54 109.765 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.429 ' HB3' ' HE3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -137.37 131.53 32.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.887 -1.051 . . . . 71.42 108.358 177.181 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.1 m -135.19 -177.82 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.485 1.114 . . . . 60.41 110.386 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -130.52 -39.2 1.3 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.789 1.236 . . . . 73.13 109.831 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -78.65 135.29 37.17 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.694 -0.685 . . . . 74.43 109.725 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.439 ' HB2' HD13 ' A' ' 14' ' ' LEU . 11.6 p-10 -70.63 -36.69 73.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.55 1.14 . . . . 61.11 110.766 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.87 -40.43 96.52 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.889 -1.051 . . . . 71.34 110.278 175.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.546 ' O ' HG12 ' A' ' 116' ' ' ILE . 19.0 tp10 -71.11 -34.45 71.11 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.807 -0.633 . . . . 75.03 110.223 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -58.41 -43.3 88.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.654 0.382 . . . . 71.13 111.78 178.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.583 HD11 ' HE2' ' A' ' 17' ' ' LYS . 16.3 mt -66.92 -40.52 87.65 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.601 0.563 . . . . 62.31 111.904 -176.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 118' ' ' ARG . 13.0 ptmm? -73.87 -23.19 59.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 122.589 0.356 . . . . 73.24 110.446 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 112' ' ' GLU . 40.1 mm -74.09 -37.95 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.069 0.548 . . . . 72.41 110.882 172.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 113' ' ' ALA . 87.1 t -55.69 -37.54 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.376 0.67 . . . . 65.13 110.298 173.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 95.8 mtt180 -71.91 -28.64 63.62 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.123 -0.944 . . . . 65.33 111.384 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.58 -40.53 73.22 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.625 0.37 . . . . 73.42 110.704 173.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.423 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 22.4 m-85 -54.91 -32.82 61.48 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.163 0.585 . . . . 71.13 111.587 174.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 21.9 mmt -71.81 -24.82 61.79 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.639 0.775 . . . . 65.14 111.938 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.18 -49.51 43.02 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.484 0.713 . . . . 62.31 109.849 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -38.51 88.19 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.14 -0.936 . . . . 70.43 110.024 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.571 ' HA ' HD12 ' A' ' 127' ' ' LEU . . . -71.03 -28.5 64.43 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.065 0.946 . . . . 65.42 110.852 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.97 -42.11 99.74 Favored Glycine 0 C--N 1.344 1.024 0 CA-C-N 115.182 -0.917 . . . . 64.31 112.732 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.4 m -62.02 -31.8 72.23 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.166 0.587 . . . . 75.24 111.152 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 124' ' ' ALA . 31.9 mt . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 124.135 0.974 . . . . 74.23 111.233 -174.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.059 -0.719 . . . . 73.33 109.059 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -148.23 127.94 13.37 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.133 -1.062 . . . . 75.51 108.133 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.54 HG21 ' HB1' ' A' ' 124' ' ' ALA . 71.6 mt -91.84 122.75 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 109.318 -0.623 . . . . 71.03 109.318 -175.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.47 HD11 HD22 ' A' ' 45' ' ' LEU . 11.2 mp -115.61 144.19 44.26 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.463 0.705 . . . . 70.44 109.365 173.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.472 HG12 ' HB2' ' A' ' 79' ' ' PHE . 33.3 mt -122.22 111.43 30.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 N-CA-C 107.187 -1.412 . . . . 64.21 107.187 163.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.443 HD21 ' SD ' ' A' ' 67' ' ' MET . 63.6 mt -89.68 121.06 31.5 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.423 0.689 . . . . 72.11 109.41 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.475 HG13 HG21 ' A' ' 18' ' ' ILE . 45.9 mm -109.5 116.59 52.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 CA-C-N 115.527 -0.761 . . . . 62.34 109.457 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -119.41 101.95 8.32 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.22 -1.03 . . . . 72.03 108.22 169.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.613 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 6.5 t -130.94 146.02 52.21 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.518 0.727 . . . . 74.31 109.476 168.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -69.96 -20.98 63.29 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 115.706 -0.679 . . . . 73.51 110.699 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -91.39 101.86 14.54 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.477 0.711 . . . . 73.24 110.208 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.68 -29.88 70.89 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.461 0.705 . . . . 75.33 110.827 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.65 -35.33 75.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.167 0.987 . . . . 71.21 110.466 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.51 -38.63 90.69 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.682 0.393 . . . . 74.15 110.249 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.62 HD13 ' HD3' ' A' ' 57' ' ' LYS . 56.9 mt -61.21 -37.81 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.207 0.603 . . . . 72.24 110.523 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.485 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 94.4 mttt -54.99 -34.92 63.8 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.287 0.635 . . . . 74.5 111.462 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 24.5 mtpp -76.91 -44.19 32.65 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.468 -0.787 . . . . 74.44 110.385 177.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.475 HG21 HG13 ' A' ' 7' ' ' ILE . 81.1 mt -59.33 -37.24 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 124.287 1.035 . . . . 72.12 111.515 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.646 ' HG2' HG11 ' A' ' 29' ' ' VAL . 27.6 mtpp -57.97 -53.1 62.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.337 1.055 . . . . 62.13 109.096 175.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -67.06 -26.13 66.59 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.469 -0.787 . . . . 51.14 112.571 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 21.0 mm-40 -63.57 -55.12 26.28 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 121.168 0.508 . . . . 70.33 110.218 173.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.408 HG21 HD22 ' A' ' 55' ' ' LEU . 33.2 m -75.45 -29.12 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 N-CA-C 112.861 0.689 . . . . 73.52 112.861 -171.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.42 -20.5 66.19 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 112.451 0.537 . . . . 70.34 112.451 -176.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -59.36 -41.44 89.25 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.033 0.533 . . . . 32.15 110.914 171.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -91.62 7.92 39.22 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.303 0.641 . . . . 70.3 111.509 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.93 27.09 51.54 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-O 119.657 -0.524 . . . . 54.41 114.368 171.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -70.17 129.16 38.65 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 117.337 0.568 . . . . 63.31 109.711 172.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -79.72 111.38 15.96 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 107.722 -1.214 . . . . 71.44 107.722 170.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.646 HG11 ' HG2' ' A' ' 19' ' ' LYS . 39.1 t -90.12 119.26 36.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.683 -0.858 . . . . 73.35 108.683 177.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.41 124.52 50.22 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.807 -1.183 . . . . 73.12 107.807 168.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.49 ' HA ' ' HG3' ' A' ' 57' ' ' LYS . 6.6 m-20 -91.6 112.14 23.94 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 114.591 -1.186 . . . . 75.13 109.072 -174.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.6 t -89.11 115.25 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.688 0.795 . . . . 62.23 109.863 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -96.9 -19.4 18.86 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.701 0.8 . . . . 71.3 111.658 -175.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -159.75 171.32 19.73 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.744 0.418 . . . . 65.11 110.386 -172.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 t -61.26 -28.7 69.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.412 1.085 . . . . 75.24 111.572 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.6 -53.56 56.95 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 123.764 0.826 . . . . 53.14 109.563 170.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.87 -20.67 65.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.598 0.759 . . . . 64.54 111.893 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 67' ' ' MET . 68.4 tp -68.74 -58.04 4.79 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.495 0.718 . . . . 71.24 110.176 173.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -29.79 70.12 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 123.376 0.423 . . . . 74.41 111.3 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -55.75 -42.66 75.76 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.33 1.052 . . . . 75.31 110.827 171.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 41.8 mm-40 -80.82 -24.76 38.26 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.649 -0.705 . . . . 71.13 112.161 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.456 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 81.1 mmm -67.14 -27.87 67.67 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 117.779 0.263 . . . . 74.11 110.632 174.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.52 -45.96 84.96 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.185 0.517 . . . . 75.51 109.724 167.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -64.93 -21.48 66.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.252 -0.886 . . . . 74.31 111.86 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 68.9 mt -89.59 -45.99 8.98 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.894 0.702 . . . . 72.35 112.894 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.08 -36.92 12.43 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.554 1.316 . . . . 73.34 114.554 -164.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -57.07 -43.21 81.88 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.055 0.455 . . . . 55.45 111.139 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.33 137.26 48.7 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.423 -0.954 . . . . 65.02 108.423 166.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -106.64 22.39 15.95 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 122.012 0.91 . . . . 74.15 108.559 -178.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -67.81 153.41 43.78 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.064 1.346 . . . . 61.1 111.014 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.04 131.01 47.15 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 112.904 0.705 . . . . 74.43 112.904 -173.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -171.19 146.37 2.36 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.757 1.223 . . . . 73.32 109.322 172.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -91.35 120.38 32.17 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 108.414 -0.958 . . . . 65.01 108.414 171.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.4 mt -126.29 123.12 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.544 0.737 . . . . 62.31 109.776 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HB3' HG22 ' A' ' 29' ' ' VAL . 18.2 tp -90.95 114.26 26.7 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.012 -1.107 . . . . 73.45 108.012 168.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.3 mm -105.13 123.24 59.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.335 -0.987 . . . . 75.22 108.335 173.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.62 ' HD3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -109.68 149.74 29.29 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.316 -0.624 . . . . 72.03 109.316 176.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.564 ' HB3' HD11 ' A' ' 64' ' ' LEU . 41.4 t -170.77 120.39 0.55 Allowed 'General case' 0 C--O 1.24 0.601 0 C-N-CA 124.441 1.096 . . . . 73.24 108.563 174.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -65.82 -26.2 67.56 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.072 0.949 . . . . 70.55 110.75 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -83.28 115.12 21.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.17 0.988 . . . . 65.23 109.013 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -76.07 -22.49 55.56 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.727 0.64 . . . . 72.14 112.727 -174.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -71.67 -33.37 68.79 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.134 0.271 . . . . 75.11 110.352 -174.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt -58.72 -37.32 75.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.128 0.571 . . . . 75.21 111.251 175.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.1 mp -69.91 -35.68 74.79 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.517 0.727 . . . . 72.42 110.538 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HG2' ' CE1' ' A' ' 93' ' ' PHE . 6.8 mtpm? -60.18 -56.39 22.12 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.368 0.604 . . . . 73.42 109.915 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -66.35 -26.42 67.27 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 113.943 -1.481 . . . . 72.33 111.644 -175.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.499 ' HB2' HD11 ' A' ' 38' ' ' LEU . 33.5 ttm -65.17 -52.3 55.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.59 0.756 . . . . 74.23 109.44 173.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.528 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 98.4 mt -63.63 -32.24 73.66 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 124.284 0.99 . . . . 71.5 111.847 -177.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -61.66 -33.37 73.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.024 0.53 . . . . 50.33 111.238 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.4 mt -85.86 -30.43 22.92 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.062 0.545 . . . . 72.53 111.033 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.528 ' HB ' ' HA ' ' A' ' 68' ' ' LEU . 41.9 mt -67.7 -28.3 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 123.962 0.905 . . . . 71.12 111.251 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -58.41 -23.07 56.24 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.44 0.696 . . . . 63.12 112.098 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -71.63 -41.79 68.41 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.004 0.921 . . . . 64.25 110.662 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.4 mt -76.87 -39.01 52.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.901 0.88 . . . . 73.22 111.406 -177.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.6 83.68 0.1 Allowed Glycine 0 C--N 1.352 1.42 0 O-C-N 123.597 0.561 . . . . 54.22 113.917 175.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -152.23 170.95 18.74 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.181 0.515 . . . . 72.43 111.906 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -71.54 111.53 6.92 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.152 -0.931 . . . . 64.42 110.917 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.443 HG11 HD21 ' A' ' 68' ' ' LEU . 44.2 t -110.23 132.68 57.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 107.905 -1.146 . . . . 44.12 107.905 169.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.472 ' HB2' HG12 ' A' ' 5' ' ' ILE . 73.6 m-85 -108.59 107.92 18.61 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.397 -0.964 . . . . 61.41 108.397 -177.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.1 tp -102.74 139.48 38.26 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.605 0.762 . . . . 75.11 109.344 -174.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.8 tp -134.84 132.75 38.98 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.556 0.742 . . . . 73.55 109.271 178.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.577 ' HB3' HD22 ' A' ' 90' ' ' LEU . 78.1 mt -121.04 115.9 24.02 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.088 0.955 . . . . 63.35 109.288 -175.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.613 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -130.62 109.67 10.82 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.305 0.574 . . . . 72.44 112.047 -173.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.2 t70 179.42 170.2 1.02 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 125.409 1.484 . . . . 74.11 107.712 171.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -83.63 2.27 38.26 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.395 0.678 . . . . 74.15 111.598 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -86.67 40.07 0.87 Allowed 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 122.003 0.906 . . . . 64.11 109.706 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -57.08 -21.73 33.96 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 113.966 -1.47 . . . . 72.31 113.387 -167.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.52 -51.31 69.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.881 0.872 . . . . 72.22 110.364 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.34 -42.24 79.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.493 -0.776 . . . . 74.25 110.234 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 82' ' ' LEU . 85.3 mt -62.68 -32.09 73.1 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 123.974 0.796 . . . . 62.14 111.519 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -70.35 -48.46 56.31 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.952 0.901 . . . . 65.21 110.036 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.07 -42.0 94.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.706 -0.679 . . . . 71.33 110.49 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.476 ' CE1' ' HG2' ' A' ' 65' ' ' LYS . 3.8 t80 -59.86 -50.08 75.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.259 1.024 . . . . 75.33 110.709 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -27.46 69.19 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 123.044 0.215 . . . . 74.04 111.464 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.11 -36.44 77.54 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.062 0.545 . . . . 73.11 111.676 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -44.21 84.82 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.236 0.614 . . . . 63.44 110.708 175.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.45 HG22 ' HB2' ' A' ' 102' ' ' TYR . 38.9 mm -70.39 -38.9 75.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.11 -0.95 . . . . 55.45 110.696 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -68.73 -32.85 72.92 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.829 1.252 . . . . 75.31 111.035 176.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -68.51 -22.29 64.53 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.465 0.706 . . . . 73.04 111.099 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -96.14 9.26 41.49 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.535 0.734 . . . . 75.15 111.222 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.94 -4.28 85.61 Favored Glycine 0 C--N 1.35 1.343 0 CA-C-O 119.246 -0.752 . . . . 75.12 114.839 172.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.45 ' HB2' HG22 ' A' ' 97' ' ' ILE . 98.1 m-85 -69.43 142.34 53.86 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 117.717 0.759 . . . . 70.35 110.263 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -71.98 118.83 15.34 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 108.45 -0.945 . . . . 73.11 108.45 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.62 144.56 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.273 0.629 . . . . 52.43 111.011 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -134.85 153.17 52.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.527 1.131 . . . . 73.1 108.606 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.426 ' HD2' ' HB2' ' A' ' 90' ' ' LEU . 3.9 ttpm? -118.41 140.23 50.17 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 108.986 -0.746 . . . . 64.23 108.986 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.446 HG21 ' HB2' ' A' ' 113' ' ' ALA . 30.9 m -134.52 161.65 40.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 125.039 1.336 . . . . 74.5 108.917 176.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.0 p -122.28 -7.45 8.76 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.034 0.934 . . . . 60.22 110.666 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -122.28 157.71 31.11 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.676 0.79 . . . . 73.21 110.386 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -71.87 -58.03 3.81 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.521 1.128 . . . . 72.1 112.049 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.6 ' HA ' HD12 ' A' ' 114' ' ' LEU . 31.1 mt-10 -70.58 -26.9 63.74 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.399 -0.819 . . . . 73.35 110.534 -174.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.485 ' O ' HG12 ' A' ' 116' ' ' ILE . 49.3 tt0 -63.56 -43.58 96.63 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.122 -1.399 . . . . 50.54 110.229 172.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 107' ' ' VAL . . . -58.65 -50.27 74.48 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 123.033 0.533 . . . . 72.54 110.624 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 111' ' ' GLU . 78.1 mt -51.51 -42.49 61.75 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.547 1.139 . . . . 73.15 111.519 176.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -65.42 -40.04 92.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.747 1.219 . . . . 73.01 111.347 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 112' ' ' GLU . 42.9 mm -75.76 -29.89 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 123.063 0.545 . . . . 65.11 110.746 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 113' ' ' ALA . 75.2 t -59.1 -45.59 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.272 0.629 . . . . 70.22 109.82 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.48 ' HA ' ' SD ' ' A' ' 121' ' ' MET . 47.0 mtp85 -65.1 -33.85 77.01 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.019 0.825 . . . . 65.14 110.908 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -63.67 -49.82 71.7 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.248 0.619 . . . . 73.02 110.402 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -57.15 -34.39 68.38 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.824 0.85 . . . . 73.11 111.664 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.48 ' SD ' ' HA ' ' A' ' 118' ' ' ARG . 68.4 mtp -64.04 -37.28 86.87 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.87 0.868 . . . . 63.03 111.231 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -69.79 -45.7 67.37 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 122.988 0.515 . . . . 71.31 110.363 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 13.8 mptt -64.42 -36.84 85.48 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.241 -0.89 . . . . 72.23 110.399 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.54 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -70.67 -38.53 73.77 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.921 0.763 . . . . 53.34 111.047 177.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.13 -42.61 99.73 Favored Glycine 0 C--N 1.347 1.193 0 O-C-N 123.488 0.492 . . . . 51.13 112.202 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.9 p -71.48 -18.21 62.31 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.466 0.707 . . . . 62.33 112.241 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 97.9 mt . . . . . 0 N--CA 1.488 1.455 0 CA-C-N 118.25 0.477 . . . . 74.15 110.917 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.475 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 12.2 tpt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.973 -0.38 . . . . 55.41 109.973 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.503 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 19.6 ttmm -105.84 134.69 48.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 122.847 0.459 . . . . 73.52 109.824 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.457 HD13 ' HB1' ' A' ' 124' ' ' ALA . 70.9 mt -106.49 120.56 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.776 1.23 . . . . 74.13 109.137 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.542 HD21 HD13 ' A' ' 45' ' ' LEU . 10.4 mp -114.16 138.63 50.19 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.639 0.776 . . . . 72.03 109.423 175.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.2 mt -115.71 107.84 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.946 -1.131 . . . . 74.31 107.946 166.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.472 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -87.88 124.62 33.85 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.517 1.127 . . . . 75.02 108.996 179.059 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.424 HG13 HG21 ' A' ' 18' ' ' ILE . 49.0 mm -113.59 115.83 50.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 108.999 -0.741 . . . . 71.21 108.999 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.553 ' HB2' HD21 ' A' ' 64' ' ' LEU . 28.6 t-20 -112.42 100.46 8.79 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 107.593 -1.262 . . . . 72.53 107.593 170.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.477 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 7.6 t -130.45 147.65 52.17 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.266 0.626 . . . . 65.0 110.755 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -71.76 -25.71 62.14 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.134 -0.939 . . . . 75.4 111.039 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -96.53 121.92 38.88 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.695 0.798 . . . . 74.33 111.496 -171.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.513 ' HA ' HD12 ' A' ' 15' ' ' ILE . 5.9 m-20 -69.88 -35.75 74.91 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.591 0.756 . . . . 62.22 110.867 173.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -57.24 -42.58 81.71 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.126 0.891 . . . . 75.23 110.94 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.8 tp -66.47 -40.51 89.38 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.951 0.9 . . . . 73.22 110.847 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 12' ' ' ASP . 92.7 mt -55.34 -50.11 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.818 0.847 . . . . 64.34 110.887 178.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -59.62 -30.97 69.07 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.039 0.837 . . . . 71.04 111.665 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HE2' HD11 ' A' ' 114' ' ' LEU . 56.8 mtpt -81.42 -42.41 20.43 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.746 0.818 . . . . 54.23 110.817 -178.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.424 HG21 HG13 ' A' ' 7' ' ' ILE . 59.6 mt -62.05 -33.7 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.76 0.824 . . . . 73.31 109.882 176.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HE2' HG11 ' A' ' 29' ' ' VAL . 8.6 mtpm? -57.75 -53.44 58.17 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 123.204 0.602 . . . . 74.35 110.391 175.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -69.37 -23.09 63.7 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.209 0.448 . . . . 63.01 112.209 -176.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 37.7 mm-40 -63.9 -57.92 8.34 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.359 -0.608 . . . . 65.31 109.359 169.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.716 HG11 HD13 ' A' ' 55' ' ' LEU . 16.3 m -71.27 -28.32 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 115.642 -0.708 . . . . 62.22 112.261 -170.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.31 -41.62 96.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.498 0.719 . . . . 74.11 110.295 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -78.38 -12.42 60.0 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.209 -0.451 . . . . 70.21 111.743 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 22.7 mm-40 -90.75 -12.12 37.5 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.01 0.524 . . . . 73.01 111.11 173.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.9 37.59 4.9 Favored Glycine 0 C--N 1.353 1.509 0 O-C-N 123.118 0.261 . . . . 34.33 113.649 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.446 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 12.2 m-85 -111.65 136.95 50.17 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.818 0.847 . . . . 73.44 109.731 175.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -82.77 138.27 34.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.56 -0.904 . . . . 73.11 108.56 168.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.497 HG11 ' HE2' ' A' ' 19' ' ' LYS . 41.2 t -100.17 121.68 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 109.923 -0.399 . . . . 74.11 109.923 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.23 113.01 25.2 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.079 0.951 . . . . 74.5 109.27 169.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.483 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 11.3 p-10 -90.98 114.65 27.22 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 108.812 -0.81 . . . . 53.01 108.812 170.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.3 t -82.03 110.84 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.379 -0.971 . . . . 71.42 108.379 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.438 ' H ' ' HG3' ' A' ' 37' ' ' GLU . 34.4 m-80 -87.97 -34.32 18.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.568 0.747 . . . . 72.14 110.789 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -151.05 168.8 23.5 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.699 -0.682 . . . . 75.1 110.619 -163.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 t -64.33 -30.58 71.62 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.427 0.691 . . . . 60.01 111.64 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.548 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 17.8 t70 -61.99 -47.22 85.77 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.519 0.728 . . . . 72.13 110.439 173.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' HG3' ' H ' ' A' ' 33' ' ' ASN . 12.0 mm-40 -53.62 -50.07 66.49 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.18 0.925 . . . . 61.0 109.991 174.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 67' ' ' MET . 57.5 tp -55.87 -58.09 9.34 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.029 -1.442 . . . . 73.41 112.397 -176.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.548 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -66.97 -37.66 84.66 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 111.838 0.31 . . . . 74.32 111.838 -175.213 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -61.07 -47.72 85.03 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.292 0.237 . . . . 62.22 111.525 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.8 pt-20 -70.61 -34.79 72.51 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 119.359 -0.353 . . . . 74.31 110.476 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.495 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -60.97 -40.53 93.72 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.499 0.72 . . . . 71.03 112.062 -177.652 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 5.5 mptp? -61.79 -38.99 90.12 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.679 -0.691 . . . . 75.03 110.36 175.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.441 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 9.6 mmpt? -69.42 -39.01 78.14 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.888 0.475 . . . . 74.21 111.153 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.542 HD13 HD21 ' A' ' 4' ' ' LEU . 71.6 mt -68.66 -22.8 64.37 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.24 0.616 . . . . 75.0 110.436 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.68 -49.06 10.2 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.807 0.843 . . . . 72.04 111.993 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 22.5 mm-40 -76.72 -49.67 15.49 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.73 0.412 . . . . 55.31 112.054 -172.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.55 97.4 1.31 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 108.386 -0.968 . . . . 71.44 108.386 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -100.74 -6.33 25.15 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.174 0.435 . . . . 71.43 112.174 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -71.11 171.03 11.67 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.726 0.41 . . . . 61.24 110.183 176.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.475 ' HA ' ' O ' ' A' ' 1' ' ' MET . 48.2 t80 -65.79 133.53 51.2 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.022 -0.535 . . . . 73.11 110.428 -176.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HB3' ' HG3' ' A' ' 2' ' ' LYS . 43.9 tt0 -165.97 147.76 7.03 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.17 0.988 . . . . 63.43 108.48 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 97.1 mttt -122.4 121.13 35.94 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.918 0.887 . . . . 74.21 109.054 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 49.8 mt -130.45 128.11 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 122.842 0.457 . . . . 64.11 110.528 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.716 HD13 HG11 ' A' ' 22' ' ' VAL . 23.3 tp -81.66 110.37 16.95 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 108.362 -0.977 . . . . 61.42 108.362 166.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.406 HG13 HD23 ' A' ' 4' ' ' LEU . 25.7 mm -92.4 114.37 29.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 108.81 -0.811 . . . . 63.42 108.81 175.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' HB3' ' HA ' ' A' ' 31' ' ' ASP . 13.6 tmtt? -90.45 128.66 36.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.213 -1.032 . . . . 54.41 108.213 170.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.3 t -160.57 115.88 2.25 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.197 -1.038 . . . . 73.12 108.197 173.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -94.82 -17.5 22.05 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.622 0.769 . . . . 72.5 110.454 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -88.97 112.0 22.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.154 0.581 . . . . 74.32 109.993 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.421 ' HA ' HD13 ' A' ' 64' ' ' LEU . 61.3 pttt -58.4 -25.22 61.86 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.378 1.071 . . . . 70.44 113.569 -174.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -69.13 -38.83 79.04 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.636 0.374 . . . . 64.44 110.203 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.68 -39.46 91.5 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 123.674 0.609 . . . . 74.22 110.621 175.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 8' ' ' ASN . 6.5 mp -68.77 -41.02 79.4 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.834 0.454 . . . . 71.12 111.48 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.9 mmmp? -60.8 -57.52 12.3 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.926 0.49 . . . . 73.43 110.19 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.13 -40.12 73.29 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 124.256 0.972 . . . . 64.35 111.57 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.495 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 35.7 ttm -60.11 -56.85 16.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.858 0.863 . . . . 75.44 110.627 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.565 HD23 HD12 ' A' ' 71' ' ' ILE . 95.8 mt -69.15 -20.78 64.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.918 0.887 . . . . 72.51 112.034 -175.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -75.49 -33.71 60.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.217 0.607 . . . . 72.44 110.552 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HB2' ' SD ' ' A' ' 42' ' ' MET . 95.0 mt -78.64 -29.9 46.08 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.887 0.375 . . . . 71.13 110.511 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.565 HD12 HD23 ' A' ' 68' ' ' LEU . 76.9 mt -74.38 -21.13 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.949 0.9 . . . . 74.03 110.161 174.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 t -57.83 -20.94 39.64 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.787 0.662 . . . . 70.25 112.787 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -86.34 -34.3 20.31 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.107 0.563 . . . . 74.33 111.297 174.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.5 mt -82.97 -51.23 7.77 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.677 0.791 . . . . 63.4 110.772 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.38 33.07 57.13 Favored Glycine 0 C--N 1.342 0.896 0 CA-C-N 115.194 -0.912 . . . . 73.34 114.398 171.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -85.46 168.16 14.82 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 117.294 0.547 . . . . 74.13 110.627 173.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -75.45 105.11 6.3 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.577 -0.738 . . . . 54.51 111.282 -176.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG11 HD21 ' A' ' 68' ' ' LEU . 39.8 t -98.25 131.8 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 108.443 -0.947 . . . . 73.42 108.443 170.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -112.87 107.34 15.89 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.243 -1.021 . . . . 73.04 108.243 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 6' ' ' LEU . 30.6 tp -105.11 141.92 35.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.488 0.715 . . . . 73.43 110.018 -172.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.431 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 33.1 tp -133.13 112.38 11.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.856 0.862 . . . . 72.42 109.497 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.471 HD23 ' HB3' ' A' ' 8' ' ' ASN . 66.2 mt -94.75 93.15 7.34 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.461 1.104 . . . . 73.43 108.951 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.477 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -103.39 107.8 18.77 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.39 0.676 . . . . 62.22 111.235 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.527 ' HB3' HD11 ' A' ' 90' ' ' LEU . 25.9 t70 -178.17 158.11 1.16 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.56 1.144 . . . . 61.23 109.038 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -79.74 54.66 1.86 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.937 0.895 . . . . 65.51 110.703 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.407 ' O ' ' HE3' ' A' ' 106' ' ' LYS . 18.1 t70 -143.05 117.1 9.44 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.544 0.737 . . . . 72.33 109.288 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.9 -35.46 16.5 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 122.82 0.448 . . . . 73.01 110.044 170.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -56.89 -67.71 0.29 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.495 0.554 . . . . 65.24 112.495 -167.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -79.47 -36.26 39.01 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 119.515 -0.279 . . . . 63.23 111.448 -174.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 84' ' ' ASP . 60.7 mt -64.67 -43.43 93.6 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 111.831 0.308 . . . . 73.41 111.831 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 23.6 tt0 -70.9 -20.14 62.53 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.956 0.502 . . . . 73.22 110.881 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -82.0 -44.88 16.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.712 0.405 . . . . 63.44 110.433 172.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.421 ' O ' HG12 ' A' ' 97' ' ' ILE . 75.1 t80 -57.43 -48.4 79.24 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.671 1.188 . . . . 74.33 110.548 -176.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -24.52 67.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.909 -1.042 . . . . 72.21 112.717 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 78.1 mtp180 -66.13 -38.64 88.64 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.833 0.453 . . . . 63.54 110.601 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.71 -31.19 52.2 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.826 0.85 . . . . 72.02 110.581 -178.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.473 HG22 ' HB2' ' A' ' 102' ' ' TYR . 24.9 mm -71.44 -45.36 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 109.404 -0.591 . . . . 74.02 109.404 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.11 -30.3 69.43 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 114.944 -1.026 . . . . 51.34 110.384 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.7 t -64.05 -34.92 79.13 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.332 0.653 . . . . 71.14 111.396 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -79.82 -5.75 56.02 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.662 0.785 . . . . 71.41 111.7 177.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.74 19.65 39.87 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 116.322 -0.399 . . . . 61.43 113.254 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.473 ' HB2' HG22 ' A' ' 97' ' ' ILE . 26.2 m-85 -94.81 151.23 19.41 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 117.117 0.458 . . . . 72.21 109.928 176.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.82 125.83 29.95 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.209 -1.034 . . . . 42.14 108.209 174.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.48 142.83 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 122.959 0.504 . . . . 71.41 110.768 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -134.68 143.32 47.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.24 1.016 . . . . 75.2 109.693 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.407 ' HE3' ' O ' ' A' ' 86' ' ' ASP . 0.1 OUTLIER -105.36 131.48 52.75 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 107.769 -1.197 . . . . 64.25 107.769 175.173 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.0 m -138.62 167.3 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.377 1.071 . . . . 70.44 109.741 169.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.4 p -121.32 -46.45 2.29 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.075 0.95 . . . . 72.12 109.739 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -82.87 159.15 22.44 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.212 0.53 . . . . 73.11 112.13 -172.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.32 -59.05 3.48 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.878 1.271 . . . . 61.13 110.719 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.37 -29.64 70.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.216 0.606 . . . . 73.1 110.979 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.542 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -68.68 -37.25 79.44 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 123.967 0.907 . . . . 74.23 110.189 176.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -67.5 -46.99 71.29 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.061 0.144 . . . . 74.33 111.165 175.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.429 HD11 ' HE2' ' A' ' 17' ' ' LYS . 94.8 mt -58.27 -38.75 77.59 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.08 0.952 . . . . 74.25 111.894 -177.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -31.62 66.01 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.337 0.255 . . . . 70.22 111.155 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 112' ' ' GLU . 49.1 mm -75.19 -31.02 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 122.639 0.375 . . . . 63.3 110.721 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 113' ' ' ALA . 98.9 t -58.77 -38.95 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 122.918 0.487 . . . . 71.34 109.707 170.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -72.73 -31.36 64.9 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.503 -0.771 . . . . 72.41 111.002 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -65.16 -38.02 89.23 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.879 0.472 . . . . 74.33 110.923 173.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 20.1 m-85 -63.16 -25.52 68.39 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.486 0.715 . . . . 70.23 112.144 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 19.8 mmt -70.94 -29.49 65.53 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.814 0.446 . . . . 62.01 110.656 176.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -80.48 -35.83 34.24 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.176 0.59 . . . . 71.4 110.087 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -71.42 -37.68 71.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.413 1.085 . . . . 72.45 110.899 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.457 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -76.37 -29.95 57.38 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.713 0.805 . . . . 75.33 110.18 174.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.58 -19.69 74.93 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-N 115.529 -0.759 . . . . 71.34 112.823 173.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.5 t -71.65 -29.17 64.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.238 0.615 . . . . 44.54 110.658 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 45.4 mt . . . . . 0 N--CA 1.48 1.035 0 C-N-CA 123.84 0.856 . . . . 64.44 110.527 -179.046 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 tpt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.289 -0.634 . . . . 75.24 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -155.35 154.94 32.81 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.388 -0.967 . . . . 73.01 108.388 -177.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 53' ' ' LYS . 61.0 mt -118.68 107.58 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 108.521 -0.918 . . . . 65.21 108.521 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.3 mp -111.29 134.29 52.99 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.066 -0.716 . . . . 75.1 109.066 176.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.488 HG12 ' HB2' ' A' ' 79' ' ' PHE . 39.5 mt -114.79 115.3 49.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 108.15 -1.055 . . . . 62.22 108.15 171.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.512 ' HB3' HD23 ' A' ' 64' ' ' LEU . 80.3 mt -90.42 126.71 35.98 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.634 0.774 . . . . 63.2 109.039 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.4 mm -113.91 115.7 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 108.988 -0.745 . . . . 71.23 108.988 174.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -123.04 102.59 8.08 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.583 -0.895 . . . . 72.2 108.583 174.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.489 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 14.9 t -130.61 148.14 52.37 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.965 -0.561 . . . . 75.13 110.602 173.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -64.69 -43.63 92.9 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.102 -0.954 . . . . 63.01 110.43 175.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -86.15 105.67 16.72 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.439 0.638 . . . . 73.42 111.124 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.16 -32.82 70.23 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.643 1.177 . . . . 64.03 112.462 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.45 -31.53 70.52 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.579 1.152 . . . . 73.02 112.248 -177.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.1 -44.33 89.16 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.584 0.753 . . . . 74.34 110.794 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.564 HG21 ' HG2' ' A' ' 57' ' ' LYS . 10.0 mt -65.08 -35.56 75.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 O-C-N 123.503 0.502 . . . . 60.04 110.077 -175.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -46.61 -42.2 15.76 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.918 0.887 . . . . 72.23 111.512 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -79.03 -39.36 34.21 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.615 -1.175 . . . . 55.05 111.203 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.94 -32.75 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 123.629 0.772 . . . . 72.01 110.743 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.581 ' HG2' HG11 ' A' ' 29' ' ' VAL . 60.5 mtpt -66.98 -51.56 53.59 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.88 0.872 . . . . 64.21 109.415 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -57.81 -35.55 71.0 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.446 0.698 . . . . 75.34 111.222 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.93 -53.47 49.87 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.426 1.09 . . . . 74.24 111.005 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.658 HG11 HD13 ' A' ' 55' ' ' LEU . 28.9 m -72.01 -26.45 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 111.96 0.355 . . . . 64.3 111.96 -175.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.03 -26.3 67.46 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.74 0.816 . . . . 74.24 111.513 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -60.08 -33.23 71.8 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.487 0.715 . . . . 74.0 110.683 171.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -95.39 10.42 36.4 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.876 0.87 . . . . 70.31 111.964 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.81 19.62 77.43 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.241 -0.436 . . . . 62.52 113.93 173.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -75.36 133.99 41.08 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.734 0.414 . . . . 74.11 110.068 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -79.18 122.31 26.12 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 108.081 -1.081 . . . . 71.05 108.081 175.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.581 HG11 ' HG2' ' A' ' 19' ' ' LYS . 13.3 t -101.59 143.64 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 118.167 0.44 . . . . 64.04 110.105 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -131.8 141.29 49.43 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.61 1.164 . . . . 74.25 108.807 173.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 20.1 m-20 -108.73 117.03 33.12 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.287 1.035 . . . . 71.11 108.753 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.39 132.42 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.351 1.06 . . . . 50.54 108.968 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -111.65 -51.79 2.83 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.88 0.872 . . . . 65.23 109.612 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -119.4 161.42 20.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.73 0.812 . . . . 63.31 111.964 -167.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 p -66.94 -29.49 69.37 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.689 1.596 . . . . 61.22 113.429 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.42 -40.18 89.4 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 110.256 -0.275 . . . . 62.4 110.256 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.63 -34.57 78.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.503 0.321 . . . . 63.52 110.486 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.546 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 52.3 tp -59.42 -54.25 48.78 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 124.189 0.931 . . . . 75.13 110.736 176.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.97 -33.8 76.65 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 111.457 0.169 . . . . 63.42 111.457 -177.026 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -64.16 -45.43 88.49 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.228 -0.442 . . . . 64.4 111.482 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 8.3 pt-20 -70.57 -32.7 70.2 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 110.016 -0.364 . . . . 73.33 110.016 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.601 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 85.4 mmm -65.96 -29.92 70.39 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.494 0.318 . . . . 75.3 111.586 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -60.6 -50.32 73.99 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 123.672 0.608 . . . . 73.52 109.494 168.55 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -63.47 -37.91 89.1 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 115.386 -0.824 . . . . 63.34 111.909 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.466 HD12 ' SD ' ' A' ' 42' ' ' MET . 80.1 mt -75.78 -30.31 59.07 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.013 0.925 . . . . 71.43 110.325 -177.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.61 -41.91 71.64 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.606 0.762 . . . . 73.51 111.06 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.65 -42.92 60.72 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.043 -0.98 . . . . 71.04 111.13 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -80.37 84.41 6.02 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.703 0.763 . . . . 74.13 110.374 -170.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -73.23 -10.63 59.97 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 114.299 -1.319 . . . . 51.03 111.728 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -56.55 130.51 45.4 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.491 1.117 . . . . 55.14 111.312 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -67.41 94.93 0.42 Allowed 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.471 1.107 . . . . 73.43 108.931 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -141.24 143.41 34.13 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.349 -0.841 . . . . 73.04 109.651 -172.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -103.87 114.27 28.41 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.837 -0.801 . . . . 71.1 108.837 -176.631 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.6 mt -122.3 127.37 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.388 0.675 . . . . 72.31 109.953 -176.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.658 HD13 HG11 ' A' ' 22' ' ' VAL . 14.5 tp -89.78 114.95 26.74 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.176 -1.046 . . . . 73.1 108.176 171.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.3 mm -93.58 118.09 38.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 108.858 -0.793 . . . . 72.11 108.858 173.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.564 ' HG2' HG21 ' A' ' 15' ' ' ILE . 14.1 tmtt? -92.36 121.4 33.81 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 107.475 -1.306 . . . . 74.34 107.475 176.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.6 t -157.74 116.67 3.21 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.559 -0.534 . . . . 75.12 109.559 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -82.29 -15.5 52.75 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.544 0.738 . . . . 73.34 110.74 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -98.35 105.96 18.17 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.869 0.868 . . . . 74.21 109.957 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.482 ' HA ' HD13 ' A' ' 64' ' ' LEU . 25.1 pttm -61.13 -25.4 66.96 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.42 1.088 . . . . 75.23 113.708 -172.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.59 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 54.5 mt-30 -66.79 -36.08 81.57 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.052 0.541 . . . . 71.11 110.849 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.15 -40.47 93.96 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 115.169 -0.923 . . . . 65.33 110.655 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 6' ' ' LEU . 6.0 mp -69.58 -34.54 74.3 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.351 0.66 . . . . 55.44 111.252 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.59 ' HE3' ' HA ' ' A' ' 62' ' ' GLN . 8.8 mtmp? -63.85 -50.43 68.88 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 120.898 0.38 . . . . 73.25 110.253 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -69.16 -27.85 65.89 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.116 -0.947 . . . . 74.33 111.535 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.601 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 39.6 ttm -64.77 -49.33 71.17 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.372 -0.831 . . . . 64.12 109.734 174.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.05 -23.87 65.02 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.107 0.963 . . . . 73.01 112.08 -177.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.25 -44.77 92.36 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.72 0.772 . . . . 75.45 110.641 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.8 mt -85.12 -28.51 25.52 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.551 -1.204 . . . . 75.15 111.194 -175.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.529 HG21 HG21 ' A' ' 78' ' ' VAL . 71.2 mt -67.94 -31.72 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.474 0.71 . . . . 62.01 109.65 172.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.5 t -63.02 -23.42 67.44 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.917 0.887 . . . . 65.43 111.461 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -77.9 -37.94 46.81 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.368 0.667 . . . . 75.24 110.207 175.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -78.07 -43.5 28.99 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.922 0.889 . . . . 73.52 111.411 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.85 73.5 1.07 Allowed Glycine 0 C--N 1.341 0.849 0 CA-C-N 115.788 -0.642 . . . . 75.35 113.706 174.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -146.2 175.7 10.3 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.42 0.688 . . . . 72.43 110.531 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -81.77 126.1 31.43 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.056 0.942 . . . . 73.11 111.301 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.529 HG21 HG21 ' A' ' 71' ' ' ILE . 76.3 t -126.03 136.02 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 114.885 -1.052 . . . . 64.2 109.317 174.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.488 ' HB2' HG12 ' A' ' 5' ' ' ILE . 89.3 m-85 -111.97 110.96 21.55 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 124.426 1.09 . . . . 40.42 108.423 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.8 tp -103.01 132.52 49.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 123.716 0.806 . . . . 71.14 109.663 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.478 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 26.5 tp -122.52 117.23 25.41 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.464 -0.939 . . . . 70.45 108.464 175.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.59 ' HB3' HD13 ' A' ' 90' ' ' LEU . 77.7 mt -101.23 135.64 42.38 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.956 1.303 . . . . 71.03 107.896 176.24 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.489 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -147.47 112.69 5.53 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.775 0.43 . . . . 74.55 110.41 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -171.16 146.19 2.35 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.775 -0.824 . . . . 64.22 108.775 178.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -71.6 -28.26 63.69 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 124.066 0.854 . . . . 63.31 110.316 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.53 67.39 4.29 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 107.921 -1.14 . . . . 72.24 107.921 165.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -71.97 -22.81 61.39 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 113.954 -1.475 . . . . 75.34 112.122 -171.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -57.92 -36.03 71.9 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.496 1.118 . . . . 34.51 110.998 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.82 -52.51 63.86 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.905 -1.043 . . . . 71.21 110.843 172.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 82' ' ' LEU . 82.3 mt -80.84 -13.32 59.05 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.36 -0.836 . . . . 53.53 112.188 -172.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -85.58 -21.37 28.53 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.909 0.884 . . . . 70.31 109.274 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -87.76 -40.82 13.76 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.164 0.585 . . . . 73.2 110.785 166.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -54.99 -45.08 74.98 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.562 1.145 . . . . 53.42 110.21 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 95' ' ' ARG . 15.5 ptpt -58.12 -39.13 77.91 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 124.121 0.888 . . . . 73.33 111.694 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.484 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 79.1 mtp180 -67.34 -32.85 74.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.336 0.654 . . . . 72.44 110.709 -173.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -74.77 -39.8 61.56 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.94 0.896 . . . . 73.41 110.462 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.518 HG22 ' HB2' ' A' ' 102' ' ' TYR . 37.3 mm -75.76 -31.92 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.129 0.572 . . . . 71.11 110.981 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -71.13 -34.76 71.33 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.526 1.131 . . . . 74.34 108.808 175.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.8 t -66.76 -33.33 75.38 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.283 0.633 . . . . 74.51 110.331 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -76.13 -5.31 46.04 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.657 0.783 . . . . 54.42 111.636 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.99 29.18 32.16 Favored Glycine 0 C--N 1.351 1.395 0 C-N-CA 122.796 0.236 . . . . 34.55 113.44 172.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.518 ' HB2' HG22 ' A' ' 97' ' ' ILE . 90.3 m-85 -108.81 157.0 18.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.291 0.636 . . . . 72.14 109.771 175.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.82 121.36 25.29 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.425 -0.954 . . . . 74.12 108.425 172.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.7 p -140.59 135.97 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.682 0.793 . . . . 71.45 110.864 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -131.09 147.03 52.57 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.739 0.816 . . . . 61.34 109.698 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -112.62 134.08 54.33 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 108.162 -1.051 . . . . 72.1 108.162 177.601 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 28.7 m -133.78 171.78 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 125.316 1.446 . . . . 74.43 108.445 173.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.5 p -134.23 -23.81 1.67 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.553 0.741 . . . . 75.1 111.071 -175.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -113.05 162.56 15.76 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.187 0.518 . . . . 55.22 110.708 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.66 -57.32 5.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.269 -1.332 . . . . 72.02 111.204 -176.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.53 -27.77 69.39 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.543 -0.753 . . . . 72.04 111.712 -178.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -69.2 -44.95 71.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.241 1.016 . . . . 72.34 110.442 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.22 -43.9 95.64 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.447 -0.797 . . . . 51.5 111.124 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.24 -28.56 68.13 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.308 1.043 . . . . 62.25 112.174 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.29 -51.62 59.55 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.07 0.548 . . . . 64.3 109.577 172.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.431 ' HA ' ' HG2' ' A' ' 119' ' ' GLU . 28.7 mm -69.98 -29.75 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 114.626 -1.17 . . . . 72.22 111.87 -170.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 113' ' ' ALA . 99.5 t -56.67 -43.08 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.852 0.861 . . . . 64.03 110.182 173.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.01 -29.02 62.71 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.266 -0.879 . . . . 72.53 111.349 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.431 ' HG2' ' HA ' ' A' ' 116' ' ' ILE . 9.2 mm-40 -65.44 -46.96 77.82 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 109.769 -0.456 . . . . 72.01 109.769 176.156 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.478 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 26.1 m-85 -55.77 -36.91 67.85 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.616 0.766 . . . . 54.3 111.983 176.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.442 ' HE3' HG12 ' A' ' 117' ' ' VAL . 66.9 mtt -61.87 -34.05 75.3 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.103 0.877 . . . . 74.42 111.819 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -67.3 -47.84 69.41 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.968 0.907 . . . . 60.21 110.633 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -28.09 62.89 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 115.841 -0.618 . . . . 64.12 110.209 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.9 -25.09 58.68 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.633 0.773 . . . . 71.13 110.007 173.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -67.33 -35.01 86.96 Favored Glycine 0 C--N 1.356 1.644 0 O-C-N 123.672 0.607 . . . . 60.45 112.045 175.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.3 m -66.32 -20.08 65.99 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.233 0.613 . . . . 73.44 111.795 173.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.479 0.983 0 C-N-CA 123.714 0.806 . . . . 65.02 109.598 174.947 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.478 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 14.8 tpt . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.273 -0.64 . . . . 42.05 109.273 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.498 ' HZ3' HD23 ' A' ' 45' ' ' LEU . 11.2 ptpt -118.89 136.76 53.88 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.261 0.624 . . . . 74.14 110.215 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.533 HD13 ' HB1' ' A' ' 124' ' ' ALA . 70.0 mt -94.06 105.12 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.019 0.928 . . . . 64.43 109.169 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.438 HD11 ' HD3' ' A' ' 2' ' ' LYS . 11.1 mp -100.33 127.1 46.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.443 0.697 . . . . 75.35 110.198 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 60.2 mt -105.4 104.37 16.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 107.182 -1.414 . . . . 51.33 107.182 165.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -88.2 127.56 35.44 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.077 -1.083 . . . . 73.24 108.077 179.158 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.503 HG13 HG21 ' A' ' 18' ' ' ILE . 44.4 mm -122.35 121.94 65.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.77 0 C-N-CA 123.948 0.899 . . . . 75.33 109.508 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.637 ' HB2' HD21 ' A' ' 64' ' ' LEU . 33.7 t30 -126.48 101.25 6.6 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 107.954 -1.128 . . . . 65.04 107.954 170.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.525 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 2.7 t -130.87 139.49 50.13 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.386 -0.825 . . . . 72.02 109.282 171.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -75.67 -18.1 59.75 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 109.305 -0.628 . . . . 63.3 109.305 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -79.41 88.71 5.0 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.144 -1.428 . . . . 73.43 107.144 170.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.75 -21.96 65.25 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.381 0.672 . . . . 75.43 111.541 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -77.66 -29.26 51.49 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.057 0.943 . . . . 73.1 110.965 174.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.55 -30.54 70.87 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.014 0.526 . . . . 73.23 110.152 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.583 HG21 ' HG3' ' A' ' 57' ' ' LYS . 63.4 mt -59.95 -40.08 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 122.909 0.484 . . . . 44.15 110.275 173.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 14.6 mmmm -63.49 -31.32 72.45 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.697 0.623 . . . . 73.34 111.138 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' HE2' HD11 ' A' ' 114' ' ' LEU . 45.3 mtpt -75.62 -43.67 46.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.545 0.738 . . . . 65.22 110.51 177.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.503 HG21 HG13 ' A' ' 7' ' ' ILE . 84.5 mt -62.11 -30.61 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 114.823 -1.08 . . . . 74.11 110.205 175.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 25.0 mtpp -61.58 -51.25 69.3 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-O 118.371 -0.823 . . . . 64.24 109.257 171.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -52.94 -41.08 64.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 123.504 0.502 . . . . 62.44 111.02 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.5 -52.89 63.75 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.277 0.985 . . . . 61.32 110.903 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.648 HG11 HD13 ' A' ' 55' ' ' LEU . 14.1 m -78.88 -24.19 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 N-CA-C 112.755 0.65 . . . . 71.01 112.755 -173.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 64.6 mm-40 -69.29 -39.2 78.46 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.815 0.846 . . . . 75.23 109.497 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -67.21 -21.67 65.75 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.902 -1.045 . . . . 63.23 111.309 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -102.89 -0.27 31.41 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.799 0.84 . . . . 73.54 111.327 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.77 37.15 27.07 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 115.127 0.811 . . . . 73.53 115.127 171.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.513 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 7.8 m-85 -89.95 135.92 33.36 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.212 0.605 . . . . 73.45 109.908 174.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -82.28 115.02 21.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.865 0.866 . . . . 63.4 109.204 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.9 t -81.97 108.48 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.662 0.385 . . . . 43.24 110.516 -176.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -97.78 162.59 13.19 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.407 1.483 . . . . 64.53 109.205 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.57 123.23 8.57 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.262 0.553 . . . . 70.41 111.589 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.494 HG12 HD13 ' A' ' 63' ' ' LEU . 26.9 t -95.83 122.29 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.802 0.841 . . . . 65.32 109.467 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -103.24 -34.91 8.64 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.091 0.556 . . . . 73.05 111.838 -177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -147.72 170.28 17.9 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.343 0.657 . . . . 72.1 110.266 -169.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t -65.38 -37.37 86.81 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.155 0.982 . . . . 74.12 111.952 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.75 -46.65 84.39 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.735 0.814 . . . . 75.12 109.59 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.41 -37.59 84.04 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.946 -1.024 . . . . 72.34 110.59 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 67' ' ' MET . 67.9 tp -58.34 -56.67 19.03 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.82 0.848 . . . . 74.31 110.704 -177.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -32.36 73.9 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 123.848 0.718 . . . . 62.43 111.513 -176.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -58.01 -48.39 80.18 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.402 0.62 . . . . 72.32 111.65 172.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -75.55 -23.68 56.63 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.884 -1.053 . . . . 75.42 111.077 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.488 ' SD ' HD12 ' A' ' 45' ' ' LEU . 72.9 mmm -71.4 -31.71 67.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.148 0.579 . . . . 74.41 110.143 173.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -37.46 87.55 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 115.992 -0.549 . . . . 72.24 109.723 174.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -64.72 -36.75 85.31 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.525 0.516 . . . . 75.14 111.092 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.498 HD23 ' HZ3' ' A' ' 2' ' ' LYS . 76.6 mt -69.09 -28.04 66.14 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 122.781 0.432 . . . . 74.43 110.88 176.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.43 -40.35 30.13 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.683 0.793 . . . . 72.51 111.747 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -74.53 -52.52 11.66 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.988 0.915 . . . . 72.43 111.354 -175.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.411 ' O ' ' HE3' ' A' ' 2' ' ' LYS . 41.1 mt-10 -77.98 94.26 4.59 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.591 -0.732 . . . . 72.25 109.326 -177.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -93.02 -16.15 25.37 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.751 0.82 . . . . 74.04 110.058 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -62.25 147.97 46.32 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.838 0.855 . . . . 64.11 110.437 175.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.478 ' HA ' ' O ' ' A' ' 1' ' ' MET . 79.2 t80 -65.47 120.36 12.71 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.554 0.742 . . . . 74.2 110.477 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -154.94 145.93 22.63 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.441 0.639 . . . . 64.45 110.972 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -97.04 120.95 38.35 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.395 1.478 . . . . 75.21 108.808 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.7 mt -125.8 136.77 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.647 0.779 . . . . 74.33 109.953 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.648 HD13 HG11 ' A' ' 22' ' ' VAL . 24.0 tp -100.16 113.05 25.42 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.343 -0.984 . . . . 73.23 108.343 169.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.6 mm -92.65 110.43 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.221 -0.659 . . . . 73.31 109.221 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.583 ' HG3' HG21 ' A' ' 15' ' ' ILE . 6.3 tmtm? -93.87 119.16 32.43 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.639 0.776 . . . . 63.44 108.955 174.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.5 t -156.94 118.41 3.75 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.384 -0.969 . . . . 61.51 108.384 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -94.73 8.46 42.44 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.235 1.014 . . . . 65.31 111.318 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.43 ' HB3' HD12 ' A' ' 63' ' ' LEU . 28.8 t70 -108.9 101.9 10.96 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.79 -0.819 . . . . 74.53 108.79 173.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -18.78 49.9 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 113.887 1.069 . . . . 53.13 113.887 -174.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -69.91 -46.35 65.6 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.746 -0.465 . . . . 74.54 109.746 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.494 HD13 HG12 ' A' ' 32' ' ' VAL . 83.4 mt -55.69 -35.62 66.26 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 124.002 0.814 . . . . 65.3 111.288 176.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 8' ' ' ASN . 11.2 mp -64.24 -53.25 52.1 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.827 0.851 . . . . 74.0 111.496 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -60.88 -47.18 87.56 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.925 0.766 . . . . 75.13 109.981 -174.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.05 -37.13 86.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.89 -1.05 . . . . 73.41 111.317 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.426 ' HB2' HD11 ' A' ' 38' ' ' LEU . 33.9 ttm -59.28 -51.84 68.24 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.056 0.942 . . . . 73.42 110.276 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 71' ' ' ILE . 96.2 mt -66.28 -32.44 73.85 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.362 1.039 . . . . 63.41 111.793 -175.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.57 -30.57 70.22 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.232 0.613 . . . . 73.41 111.058 175.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.8 mt -84.58 -26.8 27.71 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.09 0.556 . . . . 54.15 111.31 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.542 HD12 HD23 ' A' ' 68' ' ' LEU . 58.7 mt -69.74 -22.63 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.625 0.77 . . . . 63.5 109.987 173.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.4 m -60.65 -20.6 61.25 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.566 0.746 . . . . 64.25 112.023 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.73 -28.83 40.47 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.753 0.821 . . . . 74.34 111.057 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.1 mt -85.62 -48.33 8.99 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.848 0.859 . . . . 64.13 110.707 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.4 80.67 0.77 Allowed Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.936 -0.575 . . . . 63.43 113.544 173.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -152.29 167.07 29.83 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.183 0.593 . . . . 61.13 110.89 172.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -73.57 111.19 8.48 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.009 -0.996 . . . . 71.32 110.125 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.0 t -108.5 139.95 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.782 -0.822 . . . . 73.11 108.782 172.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' HA ' ' HB3' ' A' ' 103' ' ' GLU . 94.0 m-85 -103.91 146.96 27.9 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.629 1.172 . . . . 63.22 107.974 176.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' A' ' 6' ' ' LEU . 28.9 tp -142.28 139.27 31.83 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.874 0.47 . . . . 73.12 110.053 176.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.9 tp -129.66 134.95 47.96 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.405 1.082 . . . . 73.3 109.118 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.52 ' HB3' HD22 ' A' ' 90' ' ' LEU . 80.9 mt -121.42 110.36 15.98 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.51 1.124 . . . . 73.25 108.425 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.525 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -126.32 110.92 13.93 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 121.307 0.575 . . . . 61.13 111.109 -178.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.543 ' HB3' HD11 ' A' ' 90' ' ' LEU . 20.8 t70 -170.78 153.7 4.1 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.246 0.618 . . . . 74.31 109.866 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -71.36 -24.18 62.04 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.921 0.889 . . . . 71.5 111.172 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -86.61 68.87 10.29 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 107.133 -1.432 . . . . 55.31 107.133 167.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.533 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -72.1 -14.05 61.74 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 114.333 -1.303 . . . . 73.32 111.248 178.515 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -57.87 -53.7 55.27 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.654 1.181 . . . . 64.22 110.681 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -72.62 -27.9 62.43 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.086 0.241 . . . . 75.23 111.606 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 84' ' ' ASP . 79.8 mt -68.65 -36.68 78.9 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.826 0.45 . . . . 71.55 110.44 175.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 10.1 tp10 -70.45 -29.56 66.16 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 123.758 0.661 . . . . 74.24 110.094 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -39.2 39.63 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.205 0.602 . . . . 72.25 109.555 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -68.5 -41.18 80.42 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.865 -0.607 . . . . 71.34 111.895 -177.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -24.81 67.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.592 0.357 . . . . 63.32 111.373 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 2.2 mmp_? -62.25 -39.48 93.0 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 123.724 0.809 . . . . 53.35 111.426 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.419 ' HD2' ' H ' ' A' ' 96' ' ' LYS . 2.4 mptp? -68.76 -51.33 42.37 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 109.681 -0.489 . . . . 74.12 109.681 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.492 HD12 HD12 ' A' ' 68' ' ' LEU . 35.1 mm -63.94 -39.46 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 114.578 -1.192 . . . . 63.25 111.352 -170.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -69.79 -32.62 71.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.242 1.017 . . . . 72.21 110.352 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.8 m -76.25 -27.64 56.8 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.369 0.668 . . . . 73.14 111.288 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -73.5 -13.57 61.07 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.51 0.724 . . . . 62.14 110.81 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.55 31.44 21.7 Favored Glycine 0 C--N 1.346 1.13 0 O-C-N 123.261 0.351 . . . . 73.24 112.34 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -112.51 145.63 39.91 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.329 0.652 . . . . 75.55 109.992 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.561 ' HB3' ' HA ' ' A' ' 79' ' ' PHE . 8.4 tp10 -68.17 119.95 13.57 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 115.34 -0.846 . . . . 71.43 108.928 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.7 p -138.99 133.89 41.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 O-C-N 123.705 0.628 . . . . 74.35 109.413 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -130.12 119.54 23.18 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.621 0.769 . . . . 74.44 109.221 -174.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.533 ' HE3' ' HB2' ' A' ' 87' ' ' GLU . 1.5 tmtp? -94.87 120.32 34.9 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.032 0.933 . . . . 75.31 108.77 -177.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -139.0 -174.88 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.768 1.227 . . . . 70.02 109.125 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.7 p -139.53 -54.55 0.56 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.236 1.015 . . . . 60.13 109.889 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -73.89 158.37 34.59 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.411 -1.268 . . . . 63.41 112.007 -166.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.04 -59.6 5.21 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.795 1.238 . . . . 73.31 111.577 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.03 -23.96 48.01 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.244 0.218 . . . . 71.11 110.719 -174.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.452 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.7 tt0 -66.27 -34.35 77.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.376 0.67 . . . . 71.34 110.256 174.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.49 -50.06 35.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.836 0.454 . . . . 62.43 110.956 173.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.439 HD11 ' HE2' ' A' ' 17' ' ' LYS . 96.0 mt -58.52 -36.77 74.35 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.845 0.858 . . . . 75.44 112.529 -175.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -65.98 -37.05 84.97 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 123.433 0.458 . . . . 72.12 110.748 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 112' ' ' GLU . 20.4 mm -72.02 -30.14 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 O-C-N 123.472 0.482 . . . . 64.14 110.306 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.35 -43.38 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.291 0.636 . . . . 72.13 110.07 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -65.72 -30.58 71.27 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.498 -0.774 . . . . 74.03 110.465 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.424 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 37.9 mt-10 -70.84 -41.44 71.48 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 123.38 0.672 . . . . 72.54 111.167 174.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -55.23 -24.23 26.54 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 118.386 0.539 . . . . 73.05 112.037 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 18.7 mmt -68.42 -49.6 58.8 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.533 0.733 . . . . 72.52 110.373 174.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 19.1 pt20 -77.25 -23.15 51.3 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.132 0.573 . . . . 75.21 111.44 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 6.1 mptp? -70.33 -42.83 71.42 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.798 0.839 . . . . 55.12 108.768 172.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.533 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -67.22 -13.59 62.11 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.376 -0.829 . . . . 35.03 111.697 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.78 -29.11 71.31 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.453 0.47 . . . . 52.43 113.452 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.0 p -73.84 -29.45 62.13 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.678 0.391 . . . . 64.05 110.171 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.86 -35.7 72.52 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.073 0.949 . . . . 75.33 109.694 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.52 -41.69 83.99 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.914 -1.039 . . . . 62.15 110.204 175.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -85.51 74.43 10.32 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.631 0.729 . . . . 73.31 111.047 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -133.41 91.13 2.81 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 107.723 -1.214 . . . . 70.23 107.723 168.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 66.21 9.93 6.72 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.47 1.108 . . . . 74.12 111.88 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -90.85 83.23 5.67 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.314 0.645 . . . . 73.54 109.741 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -75.86 163.11 27.55 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.671 -0.695 . . . . 54.24 110.581 177.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 43.4 m80 . . . . . 0 C--O 1.254 1.303 0 N-CA-C 108.056 -1.091 . . . . 70.43 108.056 170.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.715 ' HG2' ' HB3' ' A' ' 127' ' ' LEU . 56.5 tpp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.457 -0.571 . . . . 74.21 109.457 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.516 ' HD3' HD22 ' A' ' 45' ' ' LEU . 24.1 ttmm -88.9 115.62 26.59 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.319 -0.993 . . . . 64.24 108.319 175.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.552 HD13 ' HB1' ' A' ' 124' ' ' ALA . 66.2 mt -95.63 105.76 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.501 0.72 . . . . 72.52 110.012 -173.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.2 mp -103.17 144.4 31.37 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.482 -0.562 . . . . 71.03 109.482 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.0 mt -122.6 112.31 33.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 107.394 -1.335 . . . . 55.24 107.394 166.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.529 HD21 ' SD ' ' A' ' 67' ' ' MET . 87.5 mt -88.4 121.52 30.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 108.678 -0.86 . . . . 74.43 108.678 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -111.11 115.25 49.38 Favored 'Isoleucine or valine' 0 C--O 1.245 0.867 0 N-CA-C 108.421 -0.955 . . . . 73.13 108.421 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -126.33 101.07 6.56 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 106.964 -1.495 . . . . 72.22 106.964 170.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.584 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.8 t -130.43 144.87 51.67 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 115.007 -0.997 . . . . 72.22 109.874 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -66.0 -37.78 86.81 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.452 -0.795 . . . . 52.23 109.076 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 49.9 t30 -82.96 94.1 7.67 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.014 0.926 . . . . 74.13 109.647 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.23 -21.51 62.11 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.707 0.803 . . . . 63.33 111.846 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -62.21 -34.88 77.31 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.561 0.744 . . . . 73.52 110.459 174.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' A' ' 11' ' ' ASN . 31.2 tp -62.38 -35.17 78.33 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.328 1.051 . . . . 53.12 112.003 173.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.569 HD13 ' HG2' ' A' ' 57' ' ' LYS . 54.8 mt -65.81 -32.5 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 122.971 0.509 . . . . 61.52 111.208 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -59.53 -36.99 77.2 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.475 0.655 . . . . 74.1 109.859 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.532 ' HE2' HD11 ' A' ' 114' ' ' LEU . 39.7 mtpt -71.96 -48.93 41.58 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.123 -1.398 . . . . 73.14 109.91 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.92 -30.91 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.36 1.064 . . . . 65.53 111.041 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.543 ' HE3' HG11 ' A' ' 29' ' ' VAL . 59.1 mtpt -62.92 -47.67 82.26 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.957 0.503 . . . . 74.43 110.521 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -65.49 -33.08 75.09 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.195 0.198 . . . . 74.43 111.283 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -60.78 -44.14 97.17 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.395 0.678 . . . . 55.33 111.425 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.703 HG11 HD13 ' A' ' 55' ' ' LEU . 16.8 m -81.9 -26.87 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 112.015 0.376 . . . . 63.14 112.015 -177.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.0 -27.41 65.66 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.467 0.707 . . . . 70.31 110.57 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -55.13 -36.88 66.24 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.653 0.781 . . . . 75.11 110.827 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -108.99 7.5 25.89 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.824 0.85 . . . . 74.03 112.239 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.31 38.69 62.65 Favored Glycine 0 C--N 1.347 1.166 0 N-CA-C 115.034 0.774 . . . . 72.21 115.034 171.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.542 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 9.0 m-85 -78.82 150.59 32.27 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 117.148 0.474 . . . . 73.01 110.298 171.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -87.22 113.18 22.72 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.193 0.997 . . . . 63.34 109.226 177.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.543 HG11 ' HE3' ' A' ' 19' ' ' LYS . 57.9 t -78.17 102.03 4.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 109.273 -0.64 . . . . 75.33 109.273 177.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.717 HH22 HD21 ' A' ' 45' ' ' LEU . 48.9 ttp180 -118.69 132.02 56.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.731 0.812 . . . . 75.54 108.967 172.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -111.37 139.42 46.79 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.224 0.61 . . . . 74.51 110.694 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 63' ' ' LEU . 74.7 t -126.67 112.25 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.986 1.314 . . . . 73.14 107.994 174.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -113.75 -5.05 13.32 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.779 0.432 . . . . 73.22 112.051 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -136.61 157.56 46.49 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.844 0.858 . . . . 72.14 110.172 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 m -65.36 -36.2 83.28 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.372 1.069 . . . . 72.24 112.548 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.59 -47.18 86.65 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 123.628 0.58 . . . . 65.14 109.693 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.79 -32.87 74.13 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.835 -1.075 . . . . 62.23 110.684 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 67' ' ' MET . 32.1 tp -62.7 -61.22 2.57 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 124.021 0.826 . . . . 61.33 111.086 177.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.74 -26.7 67.86 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 123.345 0.403 . . . . 62.5 111.748 -174.01 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -60.78 -55.14 36.61 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.128 0.571 . . . . 72.23 111.089 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.51 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -74.49 -26.03 59.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.2 0.6 . . . . 70.4 111.11 -177.799 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.7 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -63.9 -39.22 93.68 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.324 0.65 . . . . 64.14 110.95 177.2 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.6 mmtp -66.73 -34.88 78.81 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 123.455 0.472 . . . . 73.41 110.643 175.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -62.88 -35.59 80.51 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.567 0.347 . . . . 74.24 111.343 176.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.717 HD21 HH22 ' A' ' 30' ' ' ARG . 44.5 mt -76.67 -32.15 57.74 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.442 0.697 . . . . 71.15 110.753 179.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.95 -36.69 41.2 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.654 0.782 . . . . 43.33 111.953 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.23 -40.38 52.23 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.047 0.939 . . . . 70.53 110.559 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -123.52 78.05 1.56 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.634 0.774 . . . . 72.43 109.29 -176.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -82.34 72.04 9.4 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 108.458 -0.941 . . . . 62.31 108.458 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -107.72 166.36 10.74 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.389 1.076 . . . . 65.42 109.989 -176.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -66.67 105.66 1.61 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.648 -0.871 . . . . 71.51 108.648 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -151.89 127.22 9.92 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.091 0.556 . . . . 73.24 109.803 -174.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -96.22 120.67 36.93 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.949 0.9 . . . . 53.54 109.245 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.6 mt -130.44 130.85 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.55 0.74 . . . . 75.0 109.553 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.703 HD13 HG11 ' A' ' 22' ' ' VAL . 25.1 tp -93.92 120.19 33.84 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.792 -1.188 . . . . 63.41 107.792 165.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 45.4 mm -100.65 124.05 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.801 0.44 . . . . 75.33 110.349 175.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.569 ' HG2' HD13 ' A' ' 15' ' ' ILE . 5.8 tmtm? -99.58 122.81 43.16 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.793 -1.188 . . . . 74.33 107.793 171.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.518 ' HB3' HD11 ' A' ' 64' ' ' LEU . 47.9 t -146.55 135.95 22.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.663 0.385 . . . . 61.14 110.076 177.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -83.28 -41.04 18.77 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.321 0.649 . . . . 70.4 110.184 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.68 133.99 34.37 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.292 0.637 . . . . 65.1 110.265 -175.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -73.44 -32.36 64.33 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.341 1.056 . . . . 72.23 111.462 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -73.84 -25.92 60.32 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.086 0.555 . . . . 64.54 110.764 -169.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.52 HD13 HG12 ' A' ' 32' ' ' VAL . 87.8 mt -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.482 0.713 . . . . 72.11 110.84 172.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.4 mp -67.49 -34.87 78.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.798 0.839 . . . . 54.41 110.621 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -58.36 -58.82 6.82 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.663 0.602 . . . . 55.52 110.635 174.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.473 ' HB2' HD21 ' A' ' 38' ' ' LEU . 31.6 mt-10 -59.83 -40.89 90.01 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.184 0.928 . . . . 73.31 111.419 -175.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.7 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 55.2 ttm -58.37 -54.06 51.24 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.512 1.133 . . . . 71.31 110.814 -178.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.557 HD12 HD12 ' A' ' 97' ' ' ILE . 96.0 mt -68.85 -25.44 64.64 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.46 0.704 . . . . 72.03 112.626 -176.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -77.36 -22.18 52.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.086 0.555 . . . . 72.54 111.243 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.455 HD12 ' SD ' ' A' ' 42' ' ' MET . 97.2 mt -85.55 -33.18 21.8 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.214 0.606 . . . . 62.45 111.031 169.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.4 mt -71.15 -27.66 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.809 0.844 . . . . 73.25 110.727 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.7 p -64.88 -25.11 67.75 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.114 0.566 . . . . 62.31 111.702 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -77.53 -28.1 51.86 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.718 0.807 . . . . 44.22 111.131 174.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.8 mt -86.1 -38.91 17.28 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.884 0.873 . . . . 62.4 111.196 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.81 84.25 0.34 Allowed Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.55 -0.75 . . . . 70.53 113.723 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -159.72 152.0 20.92 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.141 0.977 . . . . 54.33 109.827 166.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.426 ' HD3' HD21 ' A' ' 127' ' ' LEU . 83.8 tttt -80.51 133.85 35.87 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.939 0.4 . . . . 74.11 111.518 -173.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.7 t -121.01 141.16 42.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 124.197 0.999 . . . . 62.12 109.424 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.505 ' HA ' ' HB3' ' A' ' 103' ' ' GLU . 91.5 m-85 -105.11 115.48 30.34 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.734 1.214 . . . . 73.14 109.266 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.0 tp -100.47 141.28 33.54 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.909 0.484 . . . . 74.23 110.003 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 116' ' ' ILE . 51.6 tp -132.41 117.46 18.11 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.439 1.096 . . . . 71.23 108.875 172.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.487 ' HB3' HD22 ' A' ' 90' ' ' LEU . 74.3 mt -104.67 121.97 44.69 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.877 1.271 . . . . 74.34 108.325 177.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.584 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -128.6 110.97 12.72 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 118.77 0.714 . . . . 71.02 111.249 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -167.42 147.52 5.29 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.069 0.548 . . . . 65.3 109.749 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -68.76 -38.29 79.98 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 123.911 0.757 . . . . 62.0 110.505 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -80.34 80.59 6.76 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 122.487 1.137 . . . . 71.14 108.643 171.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.444 ' CB ' ' HE3' ' A' ' 106' ' ' LYS . 12.0 pt-20 -75.78 -13.35 60.29 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 114.027 -1.442 . . . . 63.3 112.056 -177.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -56.3 -36.85 69.13 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.716 0.806 . . . . 71.2 110.508 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.41 -49.75 68.07 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.114 -0.948 . . . . 74.31 111.099 172.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 82' ' ' LEU . 41.0 mt -70.61 -19.22 62.86 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.327 -0.851 . . . . 73.42 111.686 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.62 -41.76 62.38 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 123.829 0.852 . . . . 72.14 110.656 -174.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -68.98 -43.74 74.29 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.382 -0.372 . . . . 60.43 110.379 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.431 ' HD2' HD11 ' A' ' 82' ' ' LEU . 32.7 t80 -61.82 -45.01 95.66 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.261 -0.881 . . . . 71.31 111.375 -172.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.531 ' HA ' HG21 ' A' ' 104' ' ' VAL . 19.4 ptpt -60.67 -34.62 74.6 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.089 0.556 . . . . 74.54 111.746 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -72.14 -31.99 66.5 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.326 0.65 . . . . 74.34 111.352 -175.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 13.7 mptt -68.07 -49.14 63.16 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.95 0.5 . . . . 72.42 110.015 174.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.557 HD12 HD12 ' A' ' 68' ' ' LEU . 37.9 mm -67.84 -37.64 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.738 0.815 . . . . 54.4 111.422 -175.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.19 -37.97 89.39 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.164 -0.926 . . . . 73.0 110.386 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -72.35 -31.05 65.28 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.288 0.635 . . . . 62.2 110.758 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 97.0 mt-30 -71.74 -11.08 60.65 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.434 0.694 . . . . 73.53 111.195 175.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.47 15.53 52.82 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 116.439 -0.346 . . . . 31.54 113.167 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -99.99 156.58 17.08 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.089 0.556 . . . . 74.44 110.797 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.505 ' HB3' ' HA ' ' A' ' 79' ' ' PHE . 8.3 tp10 -72.87 130.25 40.0 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.935 -1.03 . . . . 74.41 108.39 176.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.531 HG21 ' HA ' ' A' ' 94' ' ' LYS . 7.6 p -138.77 122.46 19.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 CA-C-O 121.617 0.722 . . . . 72.44 110.135 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -117.51 136.78 53.0 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.322 1.049 . . . . 75.44 108.546 173.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.444 ' HE3' ' CB ' ' A' ' 87' ' ' GLU . 11.1 tmtt? -111.28 143.16 42.49 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.485 -0.931 . . . . 70.45 108.485 173.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.9 m -144.82 174.71 3.27 Favored 'Isoleucine or valine' 0 C--O 1.245 0.835 0 C-N-CA 125.317 1.447 . . . . 51.54 108.946 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.7 p -129.3 -45.26 1.23 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.659 0.784 . . . . 72.4 109.669 174.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.99 162.28 22.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.386 0.674 . . . . 64.42 111.392 -176.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.453 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 11.3 p-10 -74.17 -49.98 21.27 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 114.661 -1.154 . . . . 72.23 110.813 -176.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -29.77 68.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.731 0.412 . . . . 72.41 111.095 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.493 ' O ' HG12 ' A' ' 116' ' ' ILE . 51.0 tt0 -67.35 -39.92 85.79 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 124.27 0.981 . . . . 62.14 110.067 176.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.89 -46.45 84.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.932 0.493 . . . . 72.04 111.298 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.532 HD11 ' HE2' ' A' ' 17' ' ' LYS . 98.3 mt -61.58 -42.35 98.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.534 -0.757 . . . . 64.4 111.803 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 14.6 ptmm? -69.14 -24.98 64.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.72 0.408 . . . . 72.53 110.939 -175.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.575 HG21 HD13 ' A' ' 81' ' ' LEU . 37.5 mm -70.67 -45.66 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.382 0.673 . . . . 73.3 110.13 172.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.92 -34.45 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.587 0.755 . . . . 63.13 110.515 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -67.02 -35.92 80.98 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.912 0.885 . . . . 75.42 110.648 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.456 ' HB3' ' NZ ' ' A' ' 123' ' ' LYS . 61.7 mt-10 -75.35 -33.82 61.12 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.884 0.474 . . . . 74.11 111.409 174.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -59.07 -28.25 66.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.708 0.803 . . . . 74.53 111.499 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.633 ' HE3' ' HA ' ' A' ' 22' ' ' VAL . 21.1 mmt -63.29 -42.97 99.13 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.015 0.822 . . . . 71.34 110.96 175.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -78.83 -35.8 43.5 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.871 -0.604 . . . . 71.43 110.162 -172.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.456 ' NZ ' ' HB3' ' A' ' 119' ' ' GLU . 59.8 mttp -65.01 -39.28 93.19 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 114.754 -1.112 . . . . 74.21 110.956 173.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.552 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -71.15 -30.89 67.03 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.62 0.768 . . . . 72.22 111.247 176.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -67.11 -29.66 74.78 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.73 -0.668 . . . . 72.33 112.003 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.6 m -72.36 -28.29 62.94 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.496 0.718 . . . . 65.01 111.328 175.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.715 ' HB3' ' HG2' ' A' ' 1' ' ' MET . 61.4 mt -65.78 -42.71 90.44 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.404 0.682 . . . . 43.22 111.693 177.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -82.28 -23.53 35.2 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 116.138 -0.483 . . . . 75.23 111.302 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -59.21 113.88 2.35 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.714 1.206 . . . . 72.45 110.131 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -67.53 86.85 0.2 Allowed 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 122.273 1.035 . . . . 73.33 112.34 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -103.23 79.42 1.73 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 107.9 -1.148 . . . . 65.34 107.9 172.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -76.73 146.3 38.07 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.851 -0.613 . . . . 73.12 109.481 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -142.31 89.9 2.2 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.385 0.612 . . . . 73.32 109.671 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 72.2 t60 . . . . . 0 C--O 1.253 1.263 0 CA-C-N 114.949 -1.023 . . . . 37.64 108.633 176.751 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.291 -0.633 . . . . 75.31 109.291 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -144.86 161.88 38.2 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.048 0.452 . . . . 62.13 110.875 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.585 HD12 ' HG2' ' A' ' 53' ' ' LYS . 84.0 mt -97.31 120.96 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.365 1.066 . . . . 74.24 109.506 -177.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.512 ' HB2' HG22 ' A' ' 78' ' ' VAL . 10.3 mp -120.53 123.77 43.73 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.357 -0.979 . . . . 52.43 108.357 169.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.418 ' HB ' HD12 ' A' ' 55' ' ' LEU . 50.6 mt -117.12 114.56 46.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 107.362 -1.347 . . . . 70.4 107.362 172.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.648 ' HB3' HD23 ' A' ' 64' ' ' LEU . 82.4 mt -88.99 139.08 30.81 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 108.923 -0.769 . . . . 60.21 108.923 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -128.58 115.93 39.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 123.807 0.843 . . . . 71.35 108.976 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.442 ' HB3' HD23 ' A' ' 82' ' ' LEU . 28.0 t-20 -125.5 99.49 6.05 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 107.04 -1.467 . . . . 64.31 107.04 171.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -130.22 138.04 50.35 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.32 0.648 . . . . 64.31 109.689 173.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -80.0 -14.4 58.59 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.819 0.847 . . . . 65.01 110.178 174.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -74.56 103.58 4.93 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 107.441 -1.318 . . . . 74.52 107.441 171.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.84 -53.48 55.32 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.352 0.661 . . . . 61.23 112.151 -170.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -77.77 -16.32 58.47 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.961 0.356 . . . . 73.43 111.961 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 32.6 tp -61.44 -37.46 83.62 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.996 -0.372 . . . . 74.3 109.996 170.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 92.3 mt -51.95 -52.01 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 124.067 0.855 . . . . 74.25 110.156 172.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -56.65 -41.25 76.87 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.317 1.047 . . . . 72.0 111.644 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' A' ' 14' ' ' LEU . 54.8 mtpt -67.39 -39.8 85.61 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.285 -0.87 . . . . 74.44 111.417 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.436 HG12 HG21 ' A' ' 117' ' ' VAL . 82.2 mt -70.34 -34.78 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.946 0.898 . . . . 70.04 110.275 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.484 ' HG2' HG11 ' A' ' 29' ' ' VAL . 62.1 mtpt -63.33 -51.8 64.45 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.145 0.578 . . . . 64.12 109.646 176.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -62.6 -32.91 74.0 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.841 0.456 . . . . 63.0 111.508 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.5 -46.39 88.66 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 123.861 0.726 . . . . 72.23 111.292 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.651 HG11 HD13 ' A' ' 55' ' ' LEU . 24.3 m -81.06 -24.85 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 115.941 -0.572 . . . . 73.41 111.304 -178.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 38.3 mt-10 -63.31 -29.06 70.44 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.361 0.664 . . . . 65.43 110.666 174.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -56.25 -29.2 60.75 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.046 0.939 . . . . 73.31 112.287 174.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -112.95 15.71 19.61 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.57 0.748 . . . . 74.41 111.597 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.59 37.91 85.6 Favored Glycine 0 C--N 1.347 1.165 0 O-C-N 123.452 0.47 . . . . 72.14 114.065 173.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -77.67 141.13 39.58 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.871 -0.418 . . . . 74.1 109.871 171.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -87.47 113.59 23.31 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.398 -0.964 . . . . 64.43 108.398 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.484 HG11 ' HG2' ' A' ' 19' ' ' LYS . 42.0 t -86.61 140.34 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.597 -0.519 . . . . 72.4 109.597 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -120.0 138.56 53.42 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.786 0.834 . . . . 75.52 108.924 172.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -105.29 112.04 25.0 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 107.887 -1.153 . . . . 60.3 107.887 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 58' ' ' SER . 97.9 t -106.64 120.58 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.92 -0.77 . . . . 72.43 108.92 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -108.41 -60.19 1.76 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.766 0.826 . . . . 70.0 109.877 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -94.23 167.78 11.33 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.328 1.051 . . . . 71.31 111.645 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.1 m -66.68 -29.92 70.04 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.149 -0.932 . . . . 63.31 110.162 167.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.449 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 32.7 t70 -61.12 -53.09 61.41 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.504 0.722 . . . . 75.33 109.637 170.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.71 -33.81 66.84 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.841 0.857 . . . . 75.44 112.074 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.41 -61.81 2.19 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.334 -0.848 . . . . 73.23 110.596 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.578 ' HA ' ' HB2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -70.82 -25.59 62.92 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 112.963 0.727 . . . . 73.31 112.963 -171.808 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -52.78 -52.67 55.77 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.93 0.871 . . . . 72.33 109.901 171.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 35.6 mm-40 -84.41 -15.88 44.68 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 114.331 -1.304 . . . . 75.1 112.51 -178.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.744 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -65.69 -33.45 75.91 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 118.108 0.413 . . . . 73.15 111.376 172.074 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.93 -40.18 75.88 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.337 0.398 . . . . 74.31 110.526 168.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -65.8 -52.61 49.29 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.394 0.616 . . . . 70.02 109.934 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.5 HD22 HD21 ' A' ' 4' ' ' LEU . 72.4 mt -68.0 -20.76 65.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.529 -0.759 . . . . 64.24 111.916 -173.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.43 -51.46 6.2 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.001 0.52 . . . . 61.11 111.872 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -81.3 -50.85 9.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.486 0.714 . . . . 72.43 111.552 -173.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -71.53 113.64 8.77 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.607 -0.516 . . . . 71.2 109.607 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -114.29 -4.91 12.97 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.343 0.657 . . . . 72.33 111.484 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -64.86 150.68 47.26 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.886 0.474 . . . . 74.41 110.619 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.76 98.46 0.19 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 123.815 0.697 . . . . 75.12 110.753 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -127.46 137.55 52.72 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.59 -0.732 . . . . 61.15 109.466 173.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.585 ' HG2' HD12 ' A' ' 3' ' ' ILE . 26.9 mtmm -90.8 101.8 14.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.688 -1.142 . . . . 74.34 108.074 178.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 mt -116.08 128.81 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.141 0.577 . . . . 74.12 110.191 -174.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.651 HD13 HG11 ' A' ' 22' ' ' VAL . 14.4 tp -102.11 108.28 19.64 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 107.788 -1.19 . . . . 61.24 107.788 168.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.469 ' HB ' HD23 ' A' ' 6' ' ' LEU . 23.1 mm -92.08 120.55 41.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 108.805 -0.813 . . . . 61.14 108.805 174.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -103.86 139.95 38.34 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.098 0.959 . . . . 71.1 108.617 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.524 ' HB2' ' HB ' ' A' ' 32' ' ' VAL . 44.3 t -164.6 137.37 4.79 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.866 0.729 . . . . 54.34 109.65 173.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.66 -34.9 34.48 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.301 1.04 . . . . 71.33 111.544 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -87.55 104.8 16.83 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.014 -0.539 . . . . 73.14 109.93 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.575 ' HA ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -57.65 -20.6 34.61 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.499 0.72 . . . . 71.13 112.676 -178.662 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -58.15 -50.78 72.3 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 123.118 0.567 . . . . 54.51 109.808 174.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.56 -40.46 87.39 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.375 1.07 . . . . 65.32 111.557 -175.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.648 HD23 ' HB3' ' A' ' 6' ' ' LEU . 6.0 mp -66.0 -39.78 90.57 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.531 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 57.4 tttp -67.94 -47.86 67.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.745 0.418 . . . . 75.23 110.743 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -60.26 -30.37 69.39 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.981 0.912 . . . . 64.24 111.13 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.744 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 34.1 ttm -64.88 -49.31 70.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.829 -1.078 . . . . 74.1 109.936 174.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.477 HD23 HD12 ' A' ' 71' ' ' ILE . 95.8 mt -67.59 -24.23 65.47 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.506 1.122 . . . . 75.3 112.496 -176.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 17.4 mm-40 -60.62 -38.08 83.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.137 0.575 . . . . 72.11 110.347 176.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.688 HD12 ' SD ' ' A' ' 42' ' ' MET . 60.1 mt -80.89 -41.83 22.45 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.397 -0.82 . . . . 72.13 110.442 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.623 ' HA ' HD12 ' A' ' 74' ' ' LEU . 68.7 mt -60.77 -33.11 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 124.133 0.973 . . . . 64.52 112.374 -175.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.9 p -49.73 -54.35 19.4 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.467 1.107 . . . . 72.01 112.424 -175.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -86.39 -8.42 57.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.854 -0.612 . . . . 75.54 112.093 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 71' ' ' ILE . 87.7 mt -69.49 -48.05 61.89 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 108.603 -0.888 . . . . 74.42 108.603 168.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.01 77.02 1.26 Allowed Glycine 0 C--N 1.347 1.146 0 CA-C-N 115.166 -0.925 . . . . 71.4 113.943 171.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -156.7 160.13 39.03 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.868 0.867 . . . . 63.12 109.495 169.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -75.46 122.49 23.91 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.484 -0.78 . . . . 71.33 110.924 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.55 HG21 HG21 ' A' ' 71' ' ' ILE . 60.7 t -124.31 143.56 37.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 123.501 0.721 . . . . 44.0 109.241 173.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -109.56 161.1 15.68 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.318 1.447 . . . . 65.1 108.187 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.4 tp -148.61 132.39 16.98 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.039 0.535 . . . . 71.35 110.354 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.533 HD21 ' HB1' ' A' ' 113' ' ' ALA . 35.2 tp -114.74 123.36 49.06 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.084 0.953 . . . . 73.21 109.218 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.554 ' HB3' HD22 ' A' ' 90' ' ' LEU . 97.0 mt -112.0 114.37 27.22 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.127 0.971 . . . . 65.33 108.543 176.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.1 110.77 10.93 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 118.133 0.424 . . . . 65.01 110.807 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.491 ' HB3' HD11 ' A' ' 90' ' ' LEU . 17.0 t0 -165.79 152.55 9.85 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.778 0.831 . . . . 62.15 109.079 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.29 -30.57 71.44 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.826 1.25 . . . . 75.22 110.967 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -82.63 81.14 8.54 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.175 -1.417 . . . . 74.44 107.175 167.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.74 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 8.1 pt-20 -75.48 -17.31 60.16 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 114.893 -1.049 . . . . 71.53 111.367 -178.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.435 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 2.8 t-20 -62.44 -54.49 39.35 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.987 0.805 . . . . 52.14 110.356 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -61.68 -37.64 84.86 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.734 0.814 . . . . 64.42 110.633 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 82' ' ' LEU . 78.8 mt -64.03 -42.04 97.22 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.34 -0.845 . . . . 62.14 110.743 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.617 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 32.9 tt0 -69.78 -32.79 71.47 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.747 0.654 . . . . 74.3 110.68 -174.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 88' ' ' ASN . 10.1 mm-40 -67.81 -54.54 18.29 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.73 -0.841 . . . . 74.43 108.73 173.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -58.12 -40.56 81.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.299 1.039 . . . . 63.12 112.549 -174.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -67.92 -28.84 67.83 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.767 0.427 . . . . 74.42 111.252 -176.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -64.46 -38.22 90.27 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 110.125 -0.324 . . . . 72.33 110.125 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 4.1 mptp? -62.32 -51.49 67.46 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.56 -0.534 . . . . 71.31 109.56 175.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.434 HD12 HD12 ' A' ' 68' ' ' LEU . 46.0 mm -63.98 -34.08 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.89 0.876 . . . . 71.11 111.475 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -73.75 -31.8 63.52 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.474 0.71 . . . . 50.35 109.711 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.0 m -79.57 -15.65 57.31 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.558 0.743 . . . . 75.43 111.18 174.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 29.3 mt-30 -83.22 -12.44 56.83 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.602 0.761 . . . . 75.32 110.191 171.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.3 46.49 3.27 Favored Glycine 0 C--N 1.354 1.536 0 O-C-N 123.781 0.676 . . . . 75.31 112.773 172.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -134.77 152.45 51.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.296 0.638 . . . . 74.13 110.695 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 71.6 tt0 -80.74 102.36 9.88 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 108.838 -0.801 . . . . 75.45 108.838 176.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.4 p -121.65 126.75 75.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 C-N-CA 123.234 0.614 . . . . 23.45 109.877 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -113.75 140.12 48.54 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.208 0.603 . . . . 73.44 109.608 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.74 ' HE2' ' HB2' ' A' ' 87' ' ' GLU . 11.8 tmtt? -112.03 115.32 28.73 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.764 1.225 . . . . 52.44 108.31 -176.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 23.1 m -135.74 -177.79 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 124.878 1.271 . . . . 73.11 109.231 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 p -135.82 -44.49 0.66 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.703 0.801 . . . . 75.15 111.025 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -91.16 166.86 12.74 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 113.038 0.755 . . . . 72.21 113.038 -171.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.2 -58.68 3.5 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 113.991 -1.458 . . . . 61.42 110.892 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -63.49 -28.92 70.29 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.349 0.66 . . . . 70.1 111.807 -176.323 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -69.8 -46.79 64.93 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.455 1.102 . . . . 74.42 110.527 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.533 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -62.06 -41.19 97.89 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.226 -0.897 . . . . 71.33 111.535 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.99 -33.94 74.02 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.897 0.879 . . . . 74.41 111.836 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 61.7 mttp -60.62 -50.98 71.33 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 123.602 0.564 . . . . 60.03 109.719 173.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.5 mm -68.43 -34.47 65.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.381 -1.282 . . . . 74.15 112.05 -170.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 113' ' ' ALA . 97.9 t -57.11 -48.45 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.416 -0.587 . . . . 71.11 109.416 174.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.514 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 38.4 mtt180 -65.49 -34.68 78.83 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.059 -0.973 . . . . 63.21 111.349 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 7.7 mm-40 -62.81 -46.21 89.0 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.047 0.539 . . . . 70.45 110.344 175.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.409 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 16.1 m-30 -57.35 -40.47 78.13 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.586 -0.734 . . . . 71.45 111.479 176.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 84.6 mtp -68.09 -23.08 64.89 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.009 0.923 . . . . 70.13 111.578 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 78.1 mm-40 -74.68 -51.84 13.26 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.035 0.534 . . . . 74.03 110.563 176.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -29.75 70.58 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.552 -0.749 . . . . 53.02 109.926 178.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -70.34 -39.17 74.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.976 0.91 . . . . 71.1 110.138 176.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.76 -21.48 71.17 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 115.645 -0.707 . . . . 73.32 112.815 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.8 m -79.24 -20.28 48.57 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.614 0.765 . . . . 51.12 111.215 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.505 HD12 HG12 ' A' ' 3' ' ' ILE . 69.8 mt -69.78 -22.48 63.33 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.46 0.704 . . . . 75.3 111.27 176.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.77 -39.64 85.54 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.203 1.001 . . . . 75.33 110.77 174.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 54.3 m80 57.27 27.18 13.28 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.458 1.103 . . . . 72.04 112.719 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -140.24 14.96 2.42 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.796 1.238 . . . . 64.54 108.598 172.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -74.86 -1.52 22.67 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.918 0.887 . . . . 75.5 112.699 -166.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -160.26 -43.7 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.941 1.296 . . . . 74.45 107.518 175.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -163.74 169.69 18.04 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 114.274 -1.33 . . . . 71.32 108.645 167.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.249 1.043 0 N-CA-C 109.121 -0.696 . . . . 74.44 109.121 172.579 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.916 -0.402 . . . . 60.15 109.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -111.94 149.41 31.96 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.354 0.661 . . . . 74.11 109.807 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.499 HG21 ' HB1' ' A' ' 124' ' ' ALA . 63.0 mt -115.97 125.45 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.727 0.811 . . . . 71.54 109.282 -179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.504 HD11 HD22 ' A' ' 45' ' ' LEU . 10.6 mp -124.38 138.25 54.39 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.223 0.609 . . . . 73.31 109.607 172.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.9 mt -122.38 111.96 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 107.437 -1.319 . . . . 74.03 107.437 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.434 HD21 ' SD ' ' A' ' 67' ' ' MET . 79.2 mt -86.51 134.69 33.65 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.541 0.736 . . . . 53.44 109.211 -177.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.7 mm -123.52 122.26 64.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 N-CA-C 108.229 -1.026 . . . . 64.42 108.229 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -132.09 103.96 6.55 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.308 -0.997 . . . . 73.54 108.308 171.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 t -128.43 143.78 51.04 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 123.363 0.665 . . . . 70.33 110.179 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -80.92 -15.67 55.65 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.276 -0.875 . . . . 73.3 111.129 -175.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -108.12 127.7 54.03 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.99 -0.745 . . . . 75.41 108.99 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.41 -23.08 61.04 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.555 1.142 . . . . 53.33 111.788 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -60.73 -43.72 97.55 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.173 0.989 . . . . 64.41 110.609 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 110' ' ' ASP . 36.3 tp -64.13 -40.67 96.67 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.844 -1.071 . . . . 73.42 111.485 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.517 HD13 ' HE2' ' A' ' 57' ' ' LYS . 82.2 mt -52.61 -49.73 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.766 0.827 . . . . 73.44 110.703 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -56.82 -41.33 77.63 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.574 1.171 . . . . 72.14 111.215 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 44.5 mtpt -71.41 -44.07 65.6 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.263 -0.88 . . . . 74.32 110.872 -177.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.2 mt -59.55 -40.1 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 123.79 0.836 . . . . 74.21 110.178 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -58.95 -48.86 80.02 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.17 -0.923 . . . . 74.41 110.341 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -63.49 -36.53 84.07 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.433 0.293 . . . . 74.21 111.74 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 8.4 mm-40 -56.69 -50.76 71.18 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.556 0.743 . . . . 74.11 110.755 174.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.613 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 11.6 m -81.48 -22.71 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 115.181 -0.918 . . . . 74.44 112.072 -174.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -72.34 -39.21 68.31 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.417 0.687 . . . . 61.32 110.413 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -67.05 -14.38 62.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.881 0.473 . . . . 63.13 111.208 172.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -113.56 8.65 17.77 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.756 0.822 . . . . 75.41 111.626 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 37.07 56.2 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 115.423 0.929 . . . . 65.23 115.423 168.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.613 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 6.0 m-85 -95.09 139.89 30.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.559 0.744 . . . . 72.22 109.848 174.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -88.38 112.55 23.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.936 0.894 . . . . 72.14 109.708 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.8 t -85.76 132.13 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 109.173 -0.677 . . . . 73.21 109.173 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.559 HH11 HG22 ' A' ' 32' ' ' VAL . 2.8 tmt_? -127.93 121.81 30.85 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.668 0.787 . . . . 73.22 109.407 175.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -80.8 137.36 36.22 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 125.013 1.325 . . . . 63.54 110.906 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.559 HG22 HH11 ' A' ' 30' ' ' ARG . 21.6 t -132.38 115.05 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.963 0.905 . . . . 71.21 109.541 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -110.47 -54.03 2.63 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.761 0.424 . . . . 65.34 110.649 176.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -88.86 157.99 18.26 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.232 0.613 . . . . 70.52 111.698 -171.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.6 m -64.1 -32.52 74.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.228 1.011 . . . . 62.43 109.967 167.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 20.1 t70 -64.73 -43.35 93.69 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.654 -1.157 . . . . 65.12 109.752 174.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -70.14 -26.68 64.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.497 0.319 . . . . 64.4 111.776 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.512 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 56.3 tp -61.42 -55.36 32.22 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 123.579 0.549 . . . . 73.31 109.846 173.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 1.6 pptp? -65.68 -31.95 73.24 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 122.415 -0.178 . . . . 72.51 111.368 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -50.57 -48.71 57.44 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.028 0.931 . . . . 74.42 111.007 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 6.8 pt-20 -78.21 -36.61 46.98 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.629 -0.714 . . . . 61.42 109.979 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.523 ' SD ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -54.9 -43.13 72.96 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.529 0.731 . . . . 72.13 112.518 -175.224 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 4.8 mptp? -61.41 -43.55 98.68 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.665 0.603 . . . . 72.34 110.036 174.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -68.21 -32.51 72.77 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.76 0.824 . . . . 75.02 111.981 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.2 mt -75.05 -36.77 61.81 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.526 0.73 . . . . 74.1 110.123 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.71 -48.74 63.08 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.002 -0.999 . . . . 44.41 111.321 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -78.12 -65.72 0.94 Allowed 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.622 0.577 . . . . 61.34 110.351 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -77.71 87.58 3.98 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.21 -1.033 . . . . 74.13 108.21 175.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -91.67 13.37 18.24 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.664 -1.153 . . . . 74.12 109.742 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -51.71 135.89 28.3 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.177 1.391 . . . . 62.04 110.504 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -60.98 102.82 0.22 Allowed 'General case' 0 C--O 1.238 0.474 0 O-C-N 124.423 1.077 . . . . 61.33 109.52 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -141.29 132.94 27.14 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.346 -0.843 . . . . 64.32 109.408 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HB2' ' HZ2' ' A' ' 53' ' ' LYS . 7.9 mtmp? -91.77 84.55 5.43 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 124.591 1.182 . . . . 73.15 108.93 -178.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.2 mt -95.91 129.4 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 122.403 0.281 . . . . 73.21 110.719 -176.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.549 HD22 HG21 ' A' ' 22' ' ' VAL . 16.0 tp -97.68 114.9 26.97 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.505 -1.294 . . . . 64.53 107.505 167.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.42 ' HB ' HD23 ' A' ' 6' ' ' LEU . 44.9 mm -90.9 114.96 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 109.252 -0.648 . . . . 73.11 109.252 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.517 ' HE2' HD13 ' A' ' 15' ' ' ILE . 14.3 tmtt? -94.11 123.85 37.75 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.212 1.005 . . . . 72.43 108.632 174.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.575 ' HB3' HD11 ' A' ' 64' ' ' LEU . 35.7 t -151.63 173.81 14.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.318 0.647 . . . . 75.22 109.9 175.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -136.49 10.22 3.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.095 0.958 . . . . 63.42 111.211 -174.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -127.5 109.18 11.47 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.906 -0.776 . . . . 52.24 108.906 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -52.62 -35.95 55.51 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.696 1.199 . . . . 74.34 112.701 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -71.7 -39.78 69.94 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 118.961 -0.542 . . . . 74.4 110.069 -170.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.2 mt -53.84 -41.25 67.22 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 123.803 0.689 . . . . 44.21 110.924 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.575 HD11 ' HB3' ' A' ' 58' ' ' SER . 9.2 mp -69.17 -43.92 73.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.534 -0.757 . . . . 71.11 111.258 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 20.6 ttpp -66.22 -44.7 83.07 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.64 0.376 . . . . 75.22 109.997 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.61 -31.25 72.18 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.0 1.32 . . . . 63.35 111.434 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.509 ' HB2' HD11 ' A' ' 38' ' ' LEU . 47.9 ttm -63.44 -46.72 84.98 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 108.737 -0.838 . . . . 45.32 108.737 174.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 71' ' ' ILE . 77.9 mt -71.99 -20.42 61.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.337 1.055 . . . . 62.32 112.261 -176.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 69.1 mm-40 -65.96 -35.74 81.42 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 109.656 -0.498 . . . . 71.32 109.656 170.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.523 HD12 ' SD ' ' A' ' 42' ' ' MET . 34.1 mt -86.17 -30.8 22.18 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.886 -0.597 . . . . 73.23 111.567 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.499 HD12 HD23 ' A' ' 68' ' ' LEU . 64.5 mt -71.44 -29.24 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 123.074 0.549 . . . . 60.43 110.548 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.1 p -62.15 -31.04 71.48 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.977 0.511 . . . . 42.2 111.19 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -65.4 -42.51 92.52 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.675 0.79 . . . . 75.45 110.311 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.0 mt -73.17 -38.41 66.19 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.495 -1.229 . . . . 60.3 110.792 -177.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.89 48.0 51.34 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-N 115.42 -0.809 . . . . 62.51 114.079 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.4 ' CE1' HD13 ' A' ' 4' ' ' LEU . 44.1 p90 -111.04 168.45 9.49 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 117.477 0.639 . . . . 71.32 109.834 165.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -94.79 128.04 41.23 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.689 0.796 . . . . 74.5 110.619 -170.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 49.5 t -123.67 147.72 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.78 1.232 . . . . 73.33 109.806 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -121.12 123.67 42.88 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.08 1.352 . . . . 73.32 108.352 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.406 HD23 HG13 ' A' ' 97' ' ' ILE . 27.2 tp -115.87 131.71 56.86 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.758 0.708 . . . . 71.31 111.078 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.456 HD21 ' HB1' ' A' ' 113' ' ' ALA . 33.4 tp -114.99 126.28 54.58 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.972 0.909 . . . . 74.24 109.458 173.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.443 ' HB3' HD13 ' A' ' 90' ' ' LEU . 91.5 mt -113.32 123.15 49.45 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.702 1.201 . . . . 74.32 108.732 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -139.75 111.57 7.36 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.802 0.441 . . . . 32.23 110.906 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.449 ' HB3' HD11 ' A' ' 90' ' ' LEU . 16.8 t0 -165.24 156.89 14.86 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.289 0.636 . . . . 71.23 109.44 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -62.43 -37.59 86.43 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.226 1.01 . . . . 63.24 110.168 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -88.59 60.35 5.57 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 123.002 1.382 . . . . 74.23 108.66 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.516 ' HB2' ' HD2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -71.58 -15.1 62.26 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 114.269 -1.332 . . . . 73.1 112.06 179.739 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.44 -43.49 93.1 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.644 0.777 . . . . 74.04 110.98 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.39 -29.19 62.45 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.171 0.588 . . . . 73.11 111.114 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 84' ' ' ASP . 92.8 mt -70.86 -25.25 62.73 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.34 0.656 . . . . 65.22 110.842 173.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.42 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 18.5 tp10 -71.94 -25.87 62.06 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 123.573 0.749 . . . . 75.43 109.941 176.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -82.06 -47.68 12.31 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.296 0.638 . . . . 75.34 110.465 171.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.431 ' O ' HG12 ' A' ' 97' ' ' ILE . 70.8 t80 -57.54 -42.6 83.24 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.362 1.065 . . . . 65.1 111.401 -173.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 91' ' ' GLU . 19.2 ptpt -57.33 -33.3 67.58 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.754 0.822 . . . . 64.43 111.958 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -74.6 -22.68 58.82 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.492 0.717 . . . . 75.43 111.014 -172.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -36.12 49.28 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.888 0.875 . . . . 70.32 109.229 174.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.486 HG23 HD13 ' A' ' 68' ' ' LEU . 40.4 mm -74.55 -37.01 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.047 0.939 . . . . 70.33 110.663 -176.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -70.13 -31.87 69.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 114.645 -1.161 . . . . 61.11 108.755 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -68.55 -36.94 79.47 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.678 0.791 . . . . 51.35 110.293 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -67.61 -24.93 65.53 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.373 0.669 . . . . 64.04 110.543 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.31 35.65 3.07 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.248 -0.433 . . . . 42.11 113.132 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -120.91 148.11 44.51 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.993 0.517 . . . . 74.31 110.508 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -74.09 123.46 24.45 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 108.441 -0.948 . . . . 64.12 108.441 175.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.3 p -138.08 143.77 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 O-C-N 123.917 0.76 . . . . 65.34 109.815 -175.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -138.3 158.11 44.94 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.232 1.013 . . . . 75.32 109.768 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.516 ' HD2' ' HB2' ' A' ' 87' ' ' GLU . 34.0 ttpt -125.5 141.68 51.91 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.055 -1.429 . . . . 75.2 108.707 177.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.4 m -144.39 169.86 8.72 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 C-N-CA 124.851 1.26 . . . . 74.42 109.486 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.8 p -129.13 -36.06 1.77 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.329 1.052 . . . . 73.14 109.985 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -95.58 155.83 16.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.18 0.592 . . . . 74.32 110.854 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 17.9 p-10 -72.99 -50.15 24.88 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.85 -1.068 . . . . 75.41 111.595 -175.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -67.46 -31.46 71.63 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.067 0.461 . . . . 51.21 110.41 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.498 ' O ' HG12 ' A' ' 116' ' ' ILE . 43.6 tt0 -62.99 -45.73 91.02 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.308 1.043 . . . . 72.32 109.915 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.14 -45.98 92.43 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.556 -0.747 . . . . 41.41 111.438 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 110' ' ' ASP . 80.2 mt -58.14 -38.22 76.14 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.017 0.927 . . . . 62.42 110.896 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 115' ' ' LYS . 37.8 ttmt -66.68 -39.26 88.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.199 1.4 . . . . 73.31 110.554 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 112' ' ' GLU . 42.5 mm -75.29 -33.33 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 123.359 0.664 . . . . 71.23 110.991 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 113' ' ' ALA . 87.7 t -56.95 -48.33 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 109.249 -0.649 . . . . 61.05 109.249 172.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 60.7 mtt180 -59.04 -38.38 79.19 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.161 0.913 . . . . 74.24 110.938 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -59.84 -55.52 33.17 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.739 0.65 . . . . 72.41 110.665 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.407 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.9 m-85 -51.9 -40.18 60.26 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.156 0.982 . . . . 71.51 112.224 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 78.4 mtp -67.94 -23.94 65.13 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.441 1.096 . . . . 72.32 112.501 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 118' ' ' ARG . 66.1 mt-30 -71.89 -46.08 59.01 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.53 0.732 . . . . 63.4 110.361 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -29.17 62.46 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.416 -0.811 . . . . 73.13 109.779 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.499 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -65.18 -46.13 82.02 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.986 0.803 . . . . 75.33 110.16 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.77 -38.6 96.41 Favored Glycine 0 C--N 1.347 1.18 0 CA-C-N 115.517 -0.765 . . . . 74.03 112.941 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 79.7 p -70.49 -17.34 62.96 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.598 0.592 . . . . 70.42 112.598 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.3 mt -54.49 -27.01 34.86 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 113.723 1.008 . . . . 75.0 113.723 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -74.69 -14.1 60.7 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-O 121.134 0.492 . . . . 75.41 111.961 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -109.03 -58.35 2.03 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 108.99 -0.745 . . . . 71.32 108.99 172.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -70.46 77.73 0.56 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.603 1.161 . . . . 73.53 109.139 172.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -73.09 138.28 45.74 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.61 0.764 . . . . 73.23 110.092 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -72.44 -27.96 62.65 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.051 0.94 . . . . 74.23 111.105 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -107.11 135.42 48.69 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.393 0.677 . . . . 71.15 110.48 175.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 38.6 m80 . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 108.321 -0.992 . . . . 64.5 108.321 173.068 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.012 -0.366 . . . . 60.11 110.012 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.5 161.07 37.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.675 1.19 . . . . 61.24 108.117 169.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.568 HD13 ' HB1' ' A' ' 124' ' ' ALA . 66.9 mt -119.02 103.67 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.083 -1.08 . . . . 71.21 108.083 174.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.413 ' HB2' HG22 ' A' ' 78' ' ' VAL . 10.9 mp -103.54 141.98 35.08 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.3 -0.629 . . . . 72.22 109.3 175.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.9 mt -119.81 113.69 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 107.149 -1.426 . . . . 74.14 107.149 169.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.656 ' HB3' HD23 ' A' ' 64' ' ' LEU . 93.2 mt -88.88 125.93 35.15 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.625 -0.88 . . . . 74.02 108.625 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -115.11 116.08 51.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 108.575 -0.898 . . . . 73.25 108.575 176.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -124.41 102.14 7.51 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 106.954 -1.498 . . . . 63.02 106.954 171.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.488 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 7.7 t -130.41 144.24 51.27 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.525 -0.762 . . . . 74.4 109.291 173.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -78.16 -21.1 50.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.531 -0.759 . . . . 52.22 110.596 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -102.98 109.9 21.62 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.463 0.649 . . . . 74.21 109.918 171.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.75 -22.13 66.57 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.548 1.139 . . . . 74.42 111.505 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.24 -40.09 64.32 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.779 1.231 . . . . 75.33 111.963 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.37 -36.72 85.05 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 114.833 -1.076 . . . . 64.21 111.329 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.486 HD13 ' HG2' ' A' ' 57' ' ' LYS . 54.7 mt -66.79 -29.22 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.378 0.671 . . . . 61.12 111.179 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -58.96 -31.56 68.83 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.501 0.667 . . . . 63.53 110.349 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 93.5 mttt -81.37 -52.1 7.64 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.316 -1.311 . . . . 74.35 110.144 175.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.29 -38.07 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 C-N-CA 124.182 0.993 . . . . 73.4 112.819 -173.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HE3' HG11 ' A' ' 29' ' ' VAL . 57.4 mtpt -61.6 -47.64 84.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.211 0.604 . . . . 72.24 109.59 176.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -64.45 -34.09 77.4 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.722 0.639 . . . . 72.15 111.637 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 14.0 mm-40 -61.0 -51.56 68.7 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 123.767 0.667 . . . . 33.34 110.351 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.616 HG11 HD13 ' A' ' 55' ' ' LEU . 23.3 m -74.88 -22.62 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 115.981 -0.554 . . . . 73.24 111.978 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.4 -30.18 71.03 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.106 0.562 . . . . 70.23 111.424 174.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -63.74 -33.87 76.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.646 0.379 . . . . 63.42 111.202 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -89.57 -2.13 58.24 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.55 0.74 . . . . 55.25 111.709 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.71 38.2 43.48 Favored Glycine 0 C--N 1.344 1.007 0 O-C-N 123.022 0.202 . . . . 72.43 113.1 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -78.98 140.76 37.94 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.117 0.484 . . . . 73.24 110.285 171.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -78.92 112.48 16.13 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.773 -1.195 . . . . 62.55 107.773 168.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.51 HG11 ' HE3' ' A' ' 19' ' ' LYS . 38.4 t -93.43 118.12 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.532 -0.544 . . . . 64.41 109.532 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -114.02 128.35 56.35 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.193 1.397 . . . . 65.44 109.403 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -104.94 112.69 25.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.971 0.908 . . . . 71.02 108.746 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -87.06 114.39 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.484 0.714 . . . . 72.45 109.565 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.448 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 31.1 m-80 -94.42 -17.43 22.5 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.65 0.78 . . . . 64.42 112.511 -174.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -164.46 174.45 10.95 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 117.822 0.283 . . . . 72.44 111.404 -170.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.0 p -68.73 -34.15 75.13 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.906 0.882 . . . . 71.01 111.017 173.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -45.13 95.32 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 122.952 0.501 . . . . 71.1 110.077 172.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 8.5 mm-40 -54.46 -46.91 73.44 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 123.934 0.771 . . . . 61.32 110.867 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 50.4 tp -56.01 -58.23 8.79 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.89 1.369 . . . . 63.11 111.689 -178.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -36.88 84.61 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 119.463 -0.303 . . . . 70.13 110.731 -175.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -55.3 -50.5 69.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.537 0.735 . . . . 72.31 111.453 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 9.2 pt-20 -73.57 -27.71 61.46 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.492 0.495 . . . . 73.2 110.744 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.467 ' HE3' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -62.01 -40.01 94.23 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.814 0.446 . . . . 75.11 111.447 177.004 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -60.2 -37.46 80.35 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.749 0.419 . . . . 75.12 110.312 173.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 11.2 mmpt? -71.57 -36.78 71.01 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.379 0.672 . . . . 62.54 110.91 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 71.3 mt -75.23 -22.51 57.86 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.89 0.476 . . . . 72.54 110.932 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.74 -50.02 7.06 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.577 0.751 . . . . 42.34 112.54 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -82.33 -52.54 6.82 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.555 0.742 . . . . 62.42 111.247 -172.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -74.05 97.51 2.89 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.791 -1.189 . . . . 74.23 107.791 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -85.78 25.32 1.11 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.194 0.997 . . . . 63.33 112.277 -171.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -68.24 139.07 56.0 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.297 0.639 . . . . 72.53 110.444 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -73.55 106.17 5.21 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 108.254 -1.017 . . . . 73.33 108.254 169.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -129.2 139.65 51.79 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.079 0.466 . . . . 64.12 110.195 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -93.47 113.45 25.6 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.988 -1.486 . . . . 72.43 106.988 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.1 mt -124.49 130.52 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.139 0.576 . . . . 65.24 110.916 -173.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.616 HD13 HG11 ' A' ' 22' ' ' VAL . 21.2 tp -90.63 140.71 29.5 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.328 -0.99 . . . . 74.15 108.328 166.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.3 mm -117.19 121.78 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.357 0.663 . . . . 73.55 109.519 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' HG2' HD13 ' A' ' 15' ' ' ILE . 6.9 tmtm? -98.98 116.07 30.37 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.404 1.082 . . . . 62.12 108.125 173.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -157.33 168.94 25.9 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.271 0.628 . . . . 61.24 109.522 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -134.24 -29.17 1.26 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.831 0.853 . . . . 61.24 109.976 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.51 98.41 1.45 Allowed 'General case' 0 C--N 1.348 0.512 0 C-N-CA 122.601 0.36 . . . . 74.14 110.198 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -48.53 -30.12 4.91 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.168 1.387 . . . . 72.35 113.311 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -59.33 -49.07 79.24 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.5 0.72 . . . . 62.35 109.363 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.8 mt -61.06 -41.8 97.29 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.714 0.806 . . . . 53.31 112.07 -175.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.656 HD23 ' HB3' ' A' ' 6' ' ' LEU . 6.3 mp -68.83 -39.57 79.9 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.516 0.51 . . . . 72.04 110.994 -176.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 61.0 tttm -71.14 -45.73 62.98 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 109.639 -0.504 . . . . 73.51 109.639 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -61.12 -29.63 69.88 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.968 0.907 . . . . 74.14 111.552 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.462 ' SD ' HD21 ' A' ' 6' ' ' LEU . 49.7 ttm -65.0 -48.75 72.83 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.937 -0.764 . . . . 75.41 108.937 173.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.423 HD13 HG23 ' A' ' 97' ' ' ILE . 88.6 mt -69.53 -23.66 63.62 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.109 0.964 . . . . 55.42 112.818 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 16.0 mm-40 -64.05 -41.01 97.53 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.226 -0.657 . . . . 74.42 109.226 173.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.7 mt -82.84 -32.68 27.38 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.148 -0.933 . . . . 44.42 110.856 -177.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.611 HD13 HG21 ' A' ' 78' ' ' VAL . 73.6 mt -68.6 -32.89 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.631 0.773 . . . . 75.33 110.563 177.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -62.91 -24.29 67.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.907 0.483 . . . . 74.14 111.084 176.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -80.64 -39.89 26.54 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.242 0.617 . . . . 74.3 109.771 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.5 -30.76 66.33 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.8 0.84 . . . . 71.44 112.222 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.53 74.0 0.85 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.859 -0.609 . . . . 62.2 113.427 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -154.2 157.01 38.16 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.016 0.526 . . . . 65.3 110.776 167.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 127' ' ' LEU . 3.1 tmtm? -84.79 130.48 34.67 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 115.435 -0.802 . . . . 73.43 109.365 -172.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.611 HG21 HD13 ' A' ' 71' ' ' ILE . 94.7 t -127.45 142.57 43.24 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 C-N-CA 124.191 0.996 . . . . 70.21 109.482 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -97.83 160.66 14.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.614 1.165 . . . . 71.42 109.255 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.8 tp -147.0 141.74 26.75 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.482 0.713 . . . . 72.04 109.395 177.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.494 HD13 HG21 ' A' ' 116' ' ' ILE . 50.8 tp -132.0 120.02 21.86 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.144 0.978 . . . . 73.11 108.972 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.496 ' HB3' HD22 ' A' ' 90' ' ' LEU . 89.3 mt -110.97 104.75 13.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.499 1.12 . . . . 74.51 108.724 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.488 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -115.3 111.82 21.47 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 123.148 0.579 . . . . 34.22 111.26 -175.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.463 ' HB3' HD11 ' A' ' 90' ' ' LEU . 38.2 t70 -168.69 158.02 8.89 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.086 -0.961 . . . . 75.45 109.347 176.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -59.09 -47.61 84.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.846 0.858 . . . . 71.55 109.772 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -82.22 103.55 11.9 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.475 -0.565 . . . . 53.01 109.475 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -87.53 -13.6 42.54 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.397 0.679 . . . . 60.23 111.92 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -57.92 -49.53 76.45 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.636 0.774 . . . . 64.24 110.733 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -45.46 81.8 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 115.039 -0.982 . . . . 74.44 109.858 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 82' ' ' LEU . 88.5 mt -65.79 -28.89 69.35 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.059 -0.973 . . . . 73.23 112.013 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 29.4 tt0 -64.33 -53.99 40.04 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 123.211 0.604 . . . . 61.32 110.426 -176.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.411 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -53.24 -45.51 68.77 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.468 1.105 . . . . 62.51 110.031 -178.765 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.457 ' HD2' HD11 ' A' ' 82' ' ' LEU . 55.8 t80 -61.03 -55.17 35.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.13 0.972 . . . . 73.1 110.83 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -68.51 -23.23 64.52 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.829 0.677 . . . . 74.11 112.829 -171.201 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 79.7 mtp180 -64.71 -42.01 95.58 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.568 0.347 . . . . 75.3 110.683 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -70.0 -44.45 69.35 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.357 -0.838 . . . . 53.32 109.905 179.31 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.423 HG23 HD13 ' A' ' 68' ' ' LEU . 41.6 mm -61.63 -44.66 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.963 0.905 . . . . 72.44 111.124 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.69 -33.43 74.9 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.38 -0.827 . . . . 64.34 110.953 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -73.3 -24.56 60.42 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.819 -0.628 . . . . 73.1 110.609 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -77.02 -4.28 43.36 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.499 0.72 . . . . 72.41 111.662 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.55 19.05 53.63 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-O 120.407 -0.107 . . . . 70.34 112.891 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -105.69 136.22 45.69 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.506 0.722 . . . . 53.54 109.255 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -78.44 129.19 34.63 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 109.323 -0.621 . . . . 75.45 109.323 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.45 HG13 ' HE2' ' A' ' 94' ' ' LYS . 2.8 p -140.66 126.71 20.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 121.2 0.524 . . . . 63.01 111.017 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -107.44 142.06 37.88 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.728 0.811 . . . . 75.21 109.815 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.83 126.16 52.32 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 106.91 -1.515 . . . . 73.02 106.91 169.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.3 m -131.25 166.61 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.648 0.779 . . . . 73.11 109.88 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.2 p -123.06 -38.4 2.6 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.645 0.778 . . . . 72.13 110.427 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.73 157.46 20.28 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.17 0.509 . . . . 71.23 111.566 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.99 -56.29 8.26 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.636 -1.166 . . . . 73.24 109.74 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.87 -34.29 77.06 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.492 -0.776 . . . . 73.24 110.938 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 116' ' ' ILE . 64.2 tt0 -64.93 -40.25 94.75 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 123.563 0.745 . . . . 63.43 110.019 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.42 96.23 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.592 0.357 . . . . 73.51 111.399 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.401 HD11 ' HD3' ' A' ' 17' ' ' LYS . 96.7 mt -62.28 -43.46 98.78 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.642 0.777 . . . . 64.21 112.022 -177.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -69.09 -31.32 69.95 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 123.435 0.459 . . . . 65.34 110.654 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.8 mm -67.16 -40.64 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.485 0.714 . . . . 72.14 110.727 177.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 84.9 t -62.4 -40.36 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.242 0.617 . . . . 65.23 109.795 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 91.8 mtt180 -68.15 -22.86 64.83 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.445 -0.798 . . . . 75.35 111.58 176.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.445 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 56.8 mt-10 -75.52 -53.18 9.06 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 110.097 -0.334 . . . . 71.42 110.097 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -49.73 -42.38 45.99 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.565 1.146 . . . . 73.21 112.718 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 19.8 ptp -69.55 -22.04 63.58 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.452 0.701 . . . . 72.45 112.69 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 9.1 mm100 -80.47 -45.54 17.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.787 0.435 . . . . 65.43 110.545 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.445 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 3.4 mptp? -63.64 -31.6 72.82 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 109.836 -0.431 . . . . 71.14 109.836 176.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.568 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -51.78 -45.86 63.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.948 1.299 . . . . 54.25 112.465 177.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.45 -38.02 95.23 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 116.06 -0.518 . . . . 45.44 112.543 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.7 m -67.54 -34.37 76.94 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.396 0.678 . . . . 73.32 110.508 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 77' ' ' LYS . 92.4 mt -60.73 -48.35 82.19 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.791 0.836 . . . . 74.05 111.338 176.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.73 -26.84 60.88 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 123.35 0.406 . . . . 74.3 110.891 -173.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.4 ' HA ' ' HB3' ' A' ' 133' ' ' HIS . 91.2 m-70 -77.12 76.01 3.68 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 121.275 0.56 . . . . 73.33 109.779 167.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -139.62 153.25 47.31 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.718 1.207 . . . . 70.32 108.973 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 20.6 m80 67.21 29.19 7.82 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.786 1.235 . . . . 72.13 110.561 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 30.1 t60 60.74 50.04 5.79 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.871 1.268 . . . . 65.23 110.37 -172.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 129' ' ' HIS . 20.1 t60 -77.49 107.06 9.67 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.174 -1.047 . . . . 73.13 108.174 172.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 . . . . . 0 CA--C 1.555 1.141 0 O-C-N 123.794 0.684 . . . . 75.41 109.597 177.888 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.457 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 13.7 tpt . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.86 -0.422 . . . . 73.33 109.86 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -91.05 137.49 32.33 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 109.111 -0.699 . . . . 61.44 109.111 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.54 HD12 ' HG2' ' A' ' 53' ' ' LYS . 55.6 mt -105.97 118.0 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.382 -0.599 . . . . 65.32 109.382 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.693 HD21 HD13 ' A' ' 45' ' ' LEU . 8.7 mp -115.37 133.31 56.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.595 0.758 . . . . 54.24 110.424 174.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.1 mt -113.08 107.46 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 N-CA-C 107.359 -1.349 . . . . 64.42 107.359 160.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.506 HD23 ' HB ' ' A' ' 56' ' ' ILE . 89.6 mt -86.06 111.44 20.32 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.42 -0.956 . . . . 72.34 108.42 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.475 HG13 HG21 ' A' ' 18' ' ' ILE . 38.9 mm -108.81 118.92 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 108.894 -0.78 . . . . 71.12 108.894 174.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -126.53 106.91 9.77 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.113 0.965 . . . . 73.42 108.673 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.503 HG21 ' HB3' ' A' ' 14' ' ' LEU . 11.9 t -129.37 147.11 51.16 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 123.091 0.557 . . . . 75.45 110.137 171.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -75.23 -38.73 60.48 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 109.239 -0.652 . . . . 70.4 109.239 171.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -82.59 84.25 7.32 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.618 0.723 . . . . 63.51 110.039 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -50.03 -29.2 8.25 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 126.552 1.941 . . . . 53.24 114.297 -173.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.651 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 23.3 mm-40 -55.79 -31.21 62.44 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.867 0.867 . . . . 63.31 111.997 -178.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' HB3' HG21 ' A' ' 9' ' ' THR . 56.1 tp -60.4 -48.36 82.08 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.334 1.054 . . . . 71.01 111.654 177.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.576 HG21 ' HG2' ' A' ' 57' ' ' LYS . 17.5 mt -69.68 -33.33 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 O-C-N 122.954 0.159 . . . . 74.24 110.759 -175.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 57.0 mtpt -55.12 -28.38 52.24 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.281 0.632 . . . . 74.12 111.107 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -83.44 -46.58 12.34 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.492 1.117 . . . . 62.45 110.494 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.475 HG21 HG13 ' A' ' 7' ' ' ILE . 75.6 mt -57.7 -31.84 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 124.721 1.209 . . . . 73.34 111.684 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HE3' HG11 ' A' ' 29' ' ' VAL . 53.4 mtpt -63.51 -43.69 96.45 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.535 0.734 . . . . 64.43 110.212 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -66.57 -38.18 86.53 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.112 -0.494 . . . . 72.35 110.065 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -57.86 -51.71 68.48 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.652 0.781 . . . . 73.22 110.92 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.578 HG11 HD13 ' A' ' 55' ' ' LEU . 19.8 m -72.91 -27.25 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 115.25 -0.886 . . . . 70.42 111.777 -173.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.94 -34.02 74.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.09 0.556 . . . . 72.24 111.555 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -62.93 -34.09 76.73 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.782 0.433 . . . . 53.41 110.821 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -93.87 -0.45 55.73 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.425 0.69 . . . . 55.32 111.614 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.23 37.82 11.96 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-N 116.257 -0.429 . . . . 72.45 114.05 171.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CE1' ' HE2' ' A' ' 53' ' ' LYS . 44.6 m-85 -88.33 137.36 32.4 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.68 0.392 . . . . 75.2 110.622 173.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -80.84 114.76 19.95 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 108.259 -1.015 . . . . 75.2 108.259 167.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.49 HG11 ' HE3' ' A' ' 19' ' ' LYS . 48.6 t -82.27 127.34 39.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 109.286 -0.635 . . . . 54.04 109.286 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -132.63 118.7 19.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.873 1.269 . . . . 74.34 107.723 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -110.23 114.67 28.34 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.613 0.765 . . . . 62.41 112.338 -169.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -73.14 110.16 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 C-N-CA 124.048 0.939 . . . . 62.42 109.588 174.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.458 ' H ' ' HG3' ' A' ' 37' ' ' GLU . 31.0 m-80 -100.6 -26.67 13.75 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.952 0.901 . . . . 74.53 110.202 173.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.4 172.88 12.33 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.001 0.921 . . . . 74.02 110.702 -171.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.6 m -69.15 -30.21 68.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.172 -0.922 . . . . 74.33 110.168 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -66.84 -44.74 80.26 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.421 0.688 . . . . 75.34 110.307 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' HG3' ' H ' ' A' ' 33' ' ' ASN . 15.3 mm-40 -54.34 -49.31 70.06 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 124.119 0.887 . . . . 73.02 110.077 173.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' ' 42' ' ' MET . 45.0 tp -54.74 -58.49 7.33 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 125.186 1.554 . . . . 73.52 111.668 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -41.76 89.88 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 119.065 -0.493 . . . . 75.52 111.214 -174.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -57.34 -46.23 83.51 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.467 0.307 . . . . 60.01 111.284 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.7 pt-20 -74.14 -26.87 60.56 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.369 -0.378 . . . . 71.14 110.832 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' A' ' 38' ' ' LEU . 29.0 mtp -70.81 -21.27 62.49 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.121 0.415 . . . . 63.2 112.121 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -47.64 85.06 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.577 -0.897 . . . . 72.05 108.577 164.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -72.6 -14.98 61.74 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.412 1.085 . . . . 75.31 113.331 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.693 HD13 HD21 ' A' ' 4' ' ' LEU . 53.7 mt -87.44 -41.89 13.21 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.763 0.316 . . . . 63.25 110.741 173.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.32 -54.75 3.56 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.429 1.27 . . . . 73.51 114.429 -166.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -85.04 11.74 9.01 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 115.009 1.485 . . . . 71.21 115.009 -158.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -133.57 -34.65 1.03 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.071 -0.714 . . . . 74.22 109.071 161.037 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt 61.14 20.01 10.55 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.957 1.303 . . . . 73.24 112.041 172.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.41 ' H ' ' HG2' ' A' ' 48' ' ' GLU . 26.2 p-10 -66.05 163.04 18.19 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.409 0.684 . . . . 72.54 111.526 -175.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.457 ' HA ' ' O ' ' A' ' 1' ' ' MET . 82.9 t80 -74.04 94.24 2.36 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.731 -0.668 . . . . 64.25 109.856 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -142.18 145.61 34.35 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 123.529 0.732 . . . . 74.11 109.355 170.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HG2' HD12 ' A' ' 3' ' ' ILE . 51.5 mtpt -95.79 114.41 26.15 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.585 1.154 . . . . 72.53 108.205 -175.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.8 mt -123.75 125.95 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.297 0.639 . . . . 60.4 110.106 -177.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.578 HD13 HG11 ' A' ' 22' ' ' VAL . 32.1 tp -85.94 118.2 25.27 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 107.586 -1.264 . . . . 74.14 107.586 165.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.506 ' HB ' HD23 ' A' ' 6' ' ' LEU . 36.2 mm -93.82 132.42 37.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 108.378 -0.971 . . . . 61.0 108.378 170.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.576 ' HG2' HG21 ' A' ' 15' ' ' ILE . 13.6 tmtt? -115.31 131.71 56.84 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.77 1.228 . . . . 73.03 107.992 -177.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.1 t -156.77 152.03 26.44 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.161 0.505 . . . . 62.2 110.33 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -105.79 -3.95 21.4 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.727 0.811 . . . . 44.33 110.165 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -121.5 131.52 54.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.303 0.641 . . . . 63.02 111.069 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -80.31 -20.05 45.18 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.328 1.451 . . . . 74.32 114.291 -175.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.92 -44.17 73.65 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 118.157 0.435 . . . . 71.4 110.09 -177.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 mt -54.76 -33.75 61.69 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.772 1.295 . . . . 74.03 111.851 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mp -74.73 -39.82 61.66 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.704 0.802 . . . . 61.41 111.346 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 54.6 mtmt -62.43 -45.7 91.92 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 110.225 -0.287 . . . . 51.23 110.225 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.29 -41.58 89.29 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.63 1.206 . . . . 62.3 110.808 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.48 ' SD ' HD21 ' A' ' 6' ' ' LEU . 37.8 ttm -62.84 -48.74 77.76 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.07 -0.968 . . . . 72.42 110.506 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.402 HD21 HG11 ' A' ' 78' ' ' VAL . 66.1 mt -65.13 -30.41 71.34 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.433 1.093 . . . . 63.32 112.934 -173.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 54.1 mt-10 -64.09 -37.4 87.3 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.844 0.458 . . . . 74.13 110.532 177.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 80.9 mt -81.53 -35.53 30.23 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.293 0.637 . . . . 54.21 110.654 178.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.55 -35.41 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 123.993 0.917 . . . . 74.0 110.555 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 t -56.38 -35.17 67.41 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.666 0.786 . . . . 64.44 111.353 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -76.62 -37.2 56.76 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 123.901 0.75 . . . . 71.53 109.761 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 36.0 mt -70.67 -41.21 72.38 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.362 1.065 . . . . 65.43 110.857 -176.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.51 83.85 0.19 Allowed Glycine 0 C--N 1.348 1.203 0 O-C-N 124.414 1.071 . . . . 42.43 113.164 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -154.4 169.05 24.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.268 0.627 . . . . 75.51 111.001 173.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -73.8 128.69 36.19 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.858 0.863 . . . . 63.14 111.286 -174.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.402 HG11 HD21 ' A' ' 68' ' ' LEU . 95.2 t -119.27 135.03 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.055 0.942 . . . . 72.12 109.823 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.73 106.93 14.44 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 108.081 -1.081 . . . . 75.23 108.081 174.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.529 ' HG ' HG23 ' A' ' 104' ' ' VAL . 19.0 tp -111.23 136.09 50.82 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.213 0.46 . . . . 64.1 110.002 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.552 HD13 HG21 ' A' ' 116' ' ' ILE . 42.6 tp -132.67 128.27 36.65 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.36 1.064 . . . . 34.15 109.322 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.41 HD11 ' HD1' ' A' ' 93' ' ' PHE . 61.3 mt -109.14 137.23 47.35 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.422 1.089 . . . . 75.43 108.203 176.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -148.26 118.55 7.32 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.515 0.326 . . . . 62.04 110.598 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.492 ' HB3' HD11 ' A' ' 90' ' ' LEU . 27.0 t70 -175.37 161.53 2.76 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.453 1.101 . . . . 65.33 108.857 173.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -62.59 -37.96 88.26 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.449 1.1 . . . . 71.4 111.864 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.76 77.98 5.22 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.72 0.771 . . . . 64.11 109.79 173.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.71 -15.77 58.05 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 114.645 -1.161 . . . . 74.12 111.436 -177.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -58.14 -57.82 11.15 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.851 0.861 . . . . 74.11 110.981 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -72.01 -28.53 63.45 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.578 -0.737 . . . . 74.14 111.327 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' ' 84' ' ' ASP . 83.2 mt -71.45 -31.89 67.7 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.742 0.651 . . . . 75.23 110.42 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.31 -45.98 85.53 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.931 -0.766 . . . . 73.21 108.931 175.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.17 -47.73 83.2 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.083 -0.962 . . . . 72.01 110.222 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.41 ' HD1' HD11 ' A' ' 82' ' ' LEU . 43.5 t80 -54.69 -51.43 65.56 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.695 1.198 . . . . 73.4 110.661 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -71.29 -22.59 61.93 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 115.716 -0.675 . . . . 71.43 111.566 -176.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -63.23 -43.97 96.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.331 0.252 . . . . 65.15 110.585 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -55.83 21.25 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.667 0.604 . . . . 62.01 109.889 176.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.529 HG22 ' HB2' ' A' ' 102' ' ' TYR . 38.2 mm -62.59 -37.71 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 124.002 0.814 . . . . 61.34 111.921 -170.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.01 -34.33 71.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.325 0.65 . . . . 73.42 110.499 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.8 t -74.17 -27.19 60.71 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.358 0.663 . . . . 34.0 110.395 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -76.56 -7.35 55.02 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.966 0.906 . . . . 72.43 111.405 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.81 21.25 19.21 Favored Glycine 0 C--N 1.347 1.194 0 CA-C-O 120.079 -0.289 . . . . 75.0 113.575 172.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.529 ' HB2' HG22 ' A' ' 97' ' ' ILE . 62.2 m-85 -106.24 146.8 29.86 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 109.507 -0.553 . . . . 73.42 109.507 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -77.19 116.02 17.46 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 108.456 -0.942 . . . . 71.44 108.456 173.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.529 HG23 ' HG ' ' A' ' 80' ' ' LEU . 3.6 p -138.35 127.63 32.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 CA-C-O 121.956 0.884 . . . . 74.24 110.136 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -112.53 150.98 30.54 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 114.243 -1.344 . . . . 70.24 107.895 177.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.441 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -133.32 115.01 14.39 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.313 -0.625 . . . . 72.23 109.313 -177.594 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 113' ' ' ALA . 25.2 m -124.72 -179.76 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.666 1.186 . . . . 61.53 110.418 -176.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.8 p -127.83 -49.65 1.36 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.23 1.012 . . . . 74.41 110.065 175.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.84 154.53 38.22 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.553 0.741 . . . . 63.41 112.285 -174.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.401 ' HA ' HD13 ' A' ' 14' ' ' LEU . 5.3 t70 -65.65 -54.68 24.26 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 114.403 -1.272 . . . . 60.21 110.654 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.96 -36.43 83.45 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 123.929 0.768 . . . . 74.35 110.879 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.527 ' O ' HG12 ' A' ' 116' ' ' ILE . 13.9 tp10 -64.51 -41.16 96.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.891 0.876 . . . . 72.41 110.242 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.431 ' HB2' HG21 ' A' ' 107' ' ' VAL . . . -68.7 -43.74 75.39 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.267 0.627 . . . . 23.51 112.545 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.47 -35.89 76.96 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.449 0.7 . . . . 64.52 110.514 178.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -60.58 -47.72 84.95 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 123.937 0.895 . . . . 75.53 109.703 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.552 HG21 HD13 ' A' ' 81' ' ' LEU . 45.1 mm -66.52 -31.99 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 123.93 0.769 . . . . 74.3 112.141 -175.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.15 -41.08 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.714 0.406 . . . . 73.24 110.03 172.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -73.16 -26.36 61.16 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.809 0.843 . . . . 75.21 111.085 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -63.62 -46.84 83.91 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.509 0.724 . . . . 74.34 109.069 171.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -59.16 -34.55 72.22 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.323 1.049 . . . . 71.22 111.881 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 24.6 mmt -61.29 -30.4 70.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.464 0.706 . . . . 71.31 112.196 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -66.53 -43.77 84.26 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.493 0.717 . . . . 42.44 110.58 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 11.1 mptt -78.9 -32.38 45.71 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.555 -0.748 . . . . 73.22 110.283 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.62 -37.25 70.93 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.593 0.757 . . . . 50.53 110.721 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.79 -39.96 95.42 Favored Glycine 0 C--N 1.346 1.094 0 CA-C-N 115.265 -0.88 . . . . 73.55 110.959 171.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.3 t -62.65 -24.55 67.67 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.102 0.961 . . . . 72.23 111.703 176.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 88.2 mt -70.2 -43.61 70.35 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 109.335 -0.617 . . . . 71.44 109.335 174.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -67.87 -24.29 65.23 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.373 -0.83 . . . . 63.34 110.65 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -75.96 75.8 2.86 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.258 -0.645 . . . . 75.22 109.258 170.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -70.25 135.56 49.1 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 108.175 -1.046 . . . . 65.42 108.175 174.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -65.57 90.15 0.11 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 121.334 0.588 . . . . 75.25 109.81 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -108.99 122.93 48.29 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.942 -1.026 . . . . 63.51 109.565 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -79.25 167.49 20.88 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.962 0.505 . . . . 54.21 110.878 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 123.68 0.792 . . . . 53.33 110.292 -178.75 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 107.843 -1.169 . . . . 60.13 107.843 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -155.16 119.26 4.63 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 109.758 -0.46 . . . . 54.43 109.758 -171.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.565 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 72.2 mt -99.35 117.06 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.604 0.762 . . . . 70.13 109.616 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.535 ' HB2' HG22 ' A' ' 78' ' ' VAL . 8.4 mp -112.0 146.82 37.2 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.032 0.933 . . . . 73.42 109.204 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.9 mt -123.62 106.43 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 107.206 -1.405 . . . . 62.24 107.206 166.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -85.53 132.58 34.17 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.187 0.995 . . . . 74.21 108.411 -178.011 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mm -127.45 117.73 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.041 -0.726 . . . . 64.5 109.041 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.586 ' HB2' HD21 ' A' ' 64' ' ' LEU . 52.1 t-20 -118.7 102.1 8.59 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 107.655 -1.239 . . . . 72.22 107.655 170.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.446 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.7 t -131.53 136.39 47.83 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.051 -0.722 . . . . 75.55 109.051 169.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -74.29 -15.58 60.96 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.542 0.737 . . . . 75.24 110.751 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -85.16 107.07 17.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.255 1.022 . . . . 73.54 109.631 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.593 ' HA ' HD12 ' A' ' 15' ' ' ILE . 30.2 m-20 -64.18 -34.95 79.26 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.463 0.705 . . . . 73.3 111.661 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -63.21 -38.72 92.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.295 0.638 . . . . 75.24 110.812 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 tp -71.23 -33.55 69.97 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.164 0.586 . . . . 64.45 110.495 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.66 HD13 ' HE2' ' A' ' 57' ' ' LYS . 92.2 mt -59.19 -46.76 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 123.458 0.703 . . . . 63.22 110.399 174.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 75.2 mmtt -57.18 -38.54 73.79 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.493 0.717 . . . . 75.02 111.274 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -76.58 -42.2 43.49 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.225 -0.898 . . . . 52.44 111.628 -175.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.5 mt -68.73 -33.6 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.285 0.634 . . . . 71.14 110.073 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.445 ' HE2' HG11 ' A' ' 29' ' ' VAL . 9.2 mtpm? -56.0 -63.85 1.05 Allowed 'General case' 0 C--N 1.358 0.965 0 CA-C-N 115.778 -0.646 . . . . 73.03 109.406 171.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.59 -23.95 66.96 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.975 0.51 . . . . 72.32 112.154 -176.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.41 -53.81 53.14 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.004 0.922 . . . . 75.12 109.904 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 m -83.47 -23.85 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 CA-C-N 115.06 -0.973 . . . . 74.03 112.292 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -72.42 -28.28 62.87 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.27 0.628 . . . . 71.42 110.747 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -69.3 -16.6 63.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.952 0.501 . . . . 63.23 110.959 170.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -111.09 18.65 19.2 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.068 0.947 . . . . 73.25 110.344 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.64 15.69 77.33 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 115.892 1.117 . . . . 52.41 115.892 167.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -80.14 133.49 36.07 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 118.46 1.13 . . . . 71.41 110.409 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.2 132.63 34.26 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.832 -0.803 . . . . 61.33 108.832 174.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.445 HG11 ' HE2' ' A' ' 19' ' ' LYS . 58.9 t -85.56 128.2 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 109.771 -0.455 . . . . 75.43 109.771 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -131.18 109.0 10.11 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 106.804 -1.554 . . . . 64.54 106.804 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -115.83 118.91 34.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.82 0.848 . . . . 74.34 112.078 -164.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.7 t -72.32 111.07 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.501 1.121 . . . . 71.15 110.103 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.617 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 3.7 m-20 -96.57 -19.27 19.19 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.984 0.513 . . . . 74.32 111.597 179.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -162.81 172.2 15.56 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.73 0.812 . . . . 74.24 109.487 -173.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -61.0 -39.94 91.61 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.095 0.958 . . . . 73.14 111.535 173.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.5 -46.03 90.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.265 1.026 . . . . 62.42 109.922 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.617 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 19.3 mm-40 -60.29 -44.18 95.62 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 115.24 -0.891 . . . . 71.41 110.568 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.4 tp -55.34 -58.64 6.88 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 124.382 1.052 . . . . 74.43 110.976 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -35.14 79.74 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 123.751 0.657 . . . . 64.23 111.218 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -59.43 -46.17 89.48 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.691 0.397 . . . . 64.35 111.775 175.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.5 pt-20 -84.66 -18.59 34.88 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.395 -0.366 . . . . 73.25 111.534 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 80.9 mmm -67.94 -32.41 72.84 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.191 0.596 . . . . 75.12 110.383 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -63.65 -37.42 87.27 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.94 -0.393 . . . . 75.1 109.94 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 31.3 mmmt -67.81 -29.84 69.12 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 120.726 0.298 . . . . 73.22 111.32 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 64.8 mt -82.75 -31.38 28.4 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.396 0.679 . . . . 71.35 111.449 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.12 -50.64 5.73 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.744 0.818 . . . . 61.32 112.675 -172.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.23 -64.12 0.95 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.129 0.571 . . . . 71.33 109.629 -174.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 1.9 pm0 -86.28 87.35 7.41 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.301 1.048 . . . . 74.34 108.517 171.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -91.43 37.19 0.94 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.722 1.209 . . . . 74.31 110.19 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -64.22 153.05 39.17 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.433 1.493 . . . . 74.31 111.383 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -70.27 93.39 0.84 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.436 -0.579 . . . . 64.53 109.436 177.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -148.79 145.83 27.74 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-N 114.772 -1.104 . . . . 74.32 108.968 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.565 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 33.8 mtmm -109.41 101.92 10.85 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.669 -0.696 . . . . 73.23 109.661 -176.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -106.59 132.34 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.09 0.956 . . . . 74.45 110.45 -175.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.73 117.26 21.26 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.266 -1.012 . . . . 73.5 108.266 166.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mm -92.6 147.08 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 108.575 -0.898 . . . . 70.34 108.575 170.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.66 ' HE2' HD13 ' A' ' 15' ' ' ILE . 14.1 tmtt? -135.85 134.12 38.51 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.259 -1.015 . . . . 75.05 108.259 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -158.05 173.94 15.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.285 0.634 . . . . 62.13 109.875 -177.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -132.65 -50.41 0.91 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.102 0.961 . . . . 74.32 110.612 -169.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -92.09 132.42 36.6 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.098 -0.501 . . . . 62.03 110.9 -172.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -54.1 -34.49 60.37 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.946 1.298 . . . . 61.33 113.512 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -67.12 -41.32 86.37 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 123.528 0.518 . . . . 74.13 109.757 -173.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.46 -38.29 83.73 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.678 0.791 . . . . 74.41 111.083 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.586 HD21 ' HB2' ' A' ' 8' ' ' ASN . 7.1 mp -72.6 -40.29 66.64 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.352 0.661 . . . . 74.05 111.211 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mmmp? -59.31 -58.28 9.31 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.514 0.509 . . . . 73.4 109.792 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -60.96 -36.29 79.01 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.636 1.174 . . . . 72.21 111.444 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.2 ttm -59.02 -58.6 7.93 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.607 0.763 . . . . 73.12 110.111 174.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.43 HD12 HD12 ' A' ' 97' ' ' ILE . 96.2 mt -72.87 -23.55 60.75 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.39 1.076 . . . . 75.43 113.24 -170.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -74.22 -29.83 61.9 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.857 0.463 . . . . 73.22 110.587 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.4 mt -80.52 -38.99 28.68 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.925 -0.579 . . . . 71.35 110.304 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.6 mt -66.95 -31.14 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.775 0.83 . . . . 53.44 110.408 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -61.24 -28.29 69.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.507 0.723 . . . . 65.53 111.041 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -85.68 -38.6 18.15 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.828 0.851 . . . . 75.04 111.0 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.31 -35.67 80.98 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.491 0.717 . . . . 73.5 111.143 -177.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.3 74.36 0.99 Allowed Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.667 -0.697 . . . . 43.31 113.726 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -155.43 177.67 11.1 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.344 0.658 . . . . 73.52 110.416 168.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.474 ' HG3' HD13 ' A' ' 127' ' ' LEU . 75.2 mmtt -88.65 134.74 33.8 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.965 0.906 . . . . 74.34 111.552 -170.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 4' ' ' LEU . 46.3 t -138.23 131.58 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.171 0.989 . . . . 74.12 108.837 170.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -114.61 108.85 17.37 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.479 -0.934 . . . . 72.14 108.479 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' ' 6' ' ' LEU . 33.9 tp -99.81 134.32 42.89 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.13 0.491 . . . . 63.01 111.342 -173.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.48 HD13 HG21 ' A' ' 116' ' ' ILE . 45.3 tp -120.96 136.82 54.88 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.325 1.05 . . . . 73.34 108.744 172.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 8' ' ' ASN . 74.9 mt -121.6 130.54 53.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.186 0.995 . . . . 62.03 109.045 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -147.79 110.12 4.61 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.867 0.467 . . . . 71.44 111.113 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.579 ' HB3' HD11 ' A' ' 90' ' ' LEU . 16.3 t70 -164.16 157.62 18.24 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.894 0.877 . . . . 62.13 109.147 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -54.2 -41.33 68.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.846 1.258 . . . . 64.44 111.802 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.62 76.42 7.49 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 108.558 -0.904 . . . . 63.41 108.558 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -39.44 90.85 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 114.581 -1.19 . . . . 71.43 112.775 -169.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -76.58 -22.76 53.81 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.924 0.49 . . . . 71.11 110.247 -171.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.13 -47.49 82.56 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.953 0.901 . . . . 64.2 109.79 170.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 84' ' ' ASP . 87.5 mt -72.89 -31.39 64.65 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.491 -1.232 . . . . 64.43 111.104 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 43.6 tt0 -67.17 -41.52 85.83 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.489 0.716 . . . . 72.22 109.641 178.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.413 ' HG2' ' NH1' ' A' ' 95' ' ' ARG . 0.6 OUTLIER -68.48 -40.42 80.98 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.579 0.752 . . . . 71.14 109.629 177.694 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -61.0 -49.89 75.59 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.862 -1.063 . . . . 71.01 111.591 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.443 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.64 -21.5 66.11 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.436 0.694 . . . . 62.14 111.731 -174.46 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 80.5 mtt180 -63.32 -46.84 84.8 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.126 0.571 . . . . 74.44 109.965 173.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.95 -29.67 63.27 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.267 1.027 . . . . 72.22 111.272 -177.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.444 HG22 ' HB2' ' A' ' 102' ' ' TYR . 44.5 mm -73.92 -37.74 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-O 121.136 0.493 . . . . 72.31 109.908 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.17 -31.55 66.04 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.185 0.994 . . . . 62.01 110.439 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 69.2 m -68.41 -34.38 75.91 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.316 0.646 . . . . 74.31 110.572 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -66.47 -27.86 68.13 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.706 0.402 . . . . 71.14 110.604 171.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.8 37.25 3.24 Favored Glycine 0 C--N 1.345 1.048 0 C-N-CA 123.065 0.364 . . . . 61.35 112.612 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.444 ' HB2' HG22 ' A' ' 97' ' ' ILE . 89.9 m-85 -109.86 147.48 33.27 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.893 0.477 . . . . 74.23 110.787 175.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.483 ' HG2' ' HD3' ' A' ' 123' ' ' LYS . 10.3 tp10 -75.9 109.56 9.63 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 114.961 -1.018 . . . . 75.44 108.661 173.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.89 134.49 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.252 0.621 . . . . 75.43 110.652 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.411 ' HB2' HG21 ' A' ' 116' ' ' ILE . 15.8 mmt180 -130.29 155.53 46.16 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.79 0.836 . . . . 71.03 109.489 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -123.6 136.56 54.58 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.132 0.973 . . . . 72.15 109.119 177.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.4 m -132.15 163.81 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.439 1.096 . . . . 75.21 110.201 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.2 p -125.51 -15.71 6.03 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.095 0.958 . . . . 75.33 111.204 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -109.51 152.58 25.25 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.463 0.649 . . . . 62.14 111.119 177.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -51.75 40.59 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.434 -1.257 . . . . 74.23 110.141 176.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -62.5 -27.76 69.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.836 0.854 . . . . 61.24 111.772 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -77.53 -38.75 48.07 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.374 1.069 . . . . 64.43 110.604 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.15 -42.37 94.74 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.278 0.631 . . . . 63.12 111.404 176.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.4 ' HB3' HH12 ' A' ' 118' ' ' ARG . 84.0 mt -64.35 -31.86 73.23 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.764 0.826 . . . . 64.32 111.202 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 63.4 mttp -63.25 -47.06 84.01 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.337 0.655 . . . . 74.3 110.284 173.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.48 HG21 HD13 ' A' ' 81' ' ' LEU . 46.6 mm -69.45 -34.24 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.273 0.629 . . . . 74.32 111.477 -175.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' ' 121' ' ' MET . 82.1 t -54.09 -49.91 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 109.405 -0.591 . . . . 72.45 109.405 171.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.4 HH12 ' HB3' ' A' ' 114' ' ' LEU . 73.1 mtt85 -64.15 -31.94 73.33 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.501 -0.772 . . . . 62.43 112.171 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.88 -46.99 85.28 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.745 0.418 . . . . 43.41 110.219 172.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.494 ' HA ' ' HD2' ' A' ' 123' ' ' LYS . 22.1 m-30 -63.87 -29.13 70.35 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.259 1.024 . . . . 61.15 112.173 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.536 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 98.3 mmm -70.21 -34.46 72.95 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.375 0.67 . . . . 72.42 110.851 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -73.39 -36.31 66.02 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.747 -0.66 . . . . 71.42 110.293 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.494 ' HD2' ' HA ' ' A' ' 120' ' ' PHE . 62.1 mttm -67.05 -47.5 71.15 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.39 1.076 . . . . 54.2 110.541 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.463 ' HA ' HD12 ' A' ' 127' ' ' LEU . . . -65.94 -32.54 74.09 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.055 0.942 . . . . 54.54 110.725 177.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.74 -37.38 76.14 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-N 115.334 -0.848 . . . . 21.23 112.139 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.536 ' HA ' ' HB3' ' A' ' 130' ' ' HIS . 73.0 m -65.27 -22.86 66.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.499 0.72 . . . . 75.33 111.453 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.474 HD13 ' HG3' ' A' ' 77' ' ' LYS . 30.2 mt -83.46 -46.59 12.32 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.556 0.742 . . . . 72.12 110.389 175.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -84.57 -70.46 0.57 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.613 0.765 . . . . 73.53 112.298 -172.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -125.57 93.35 3.83 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.768 0.827 . . . . 74.2 109.336 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.536 ' HB3' ' HA ' ' A' ' 126' ' ' SER . 17.2 p80 -112.95 127.2 56.15 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.67 0.388 . . . . 75.24 110.212 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -122.09 -44.15 2.3 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.299 -1.0 . . . . 50.32 108.299 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -80.93 100.22 8.79 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.455 -0.943 . . . . 73.22 108.455 169.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -79.05 145.53 33.79 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.968 -0.753 . . . . 72.22 108.968 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.0 t60 . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 108.169 -1.049 . . . . 75.42 108.169 172.313 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 109.923 -0.399 . . . . 75.32 109.923 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.518 ' HE3' ' HB3' ' A' ' 52' ' ' GLU . 3.1 ttmp? -159.07 153.79 24.6 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.519 -0.919 . . . . 74.3 108.519 172.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.409 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 79.2 mt -119.08 109.55 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.03 0.932 . . . . 73.0 108.874 -178.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.7 mp -105.43 136.79 44.34 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.748 -0.834 . . . . 71.21 108.748 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.5 mt -113.04 114.49 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.189 -1.411 . . . . 73.13 107.189 164.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.495 HD21 ' SD ' ' A' ' 67' ' ' MET . 84.7 mt -88.65 132.5 34.54 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.297 -1.001 . . . . 65.11 108.297 178.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.7 mm -125.49 113.41 34.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.871 -1.159 . . . . 75.22 107.871 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -119.29 97.98 5.93 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.569 -1.641 . . . . 70.43 106.569 168.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 t -132.31 139.7 48.3 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 115.281 -0.872 . . . . 74.3 109.491 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -75.87 -19.74 58.63 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.27 -0.877 . . . . 73.33 109.846 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -75.34 88.36 2.57 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.841 0.857 . . . . 75.32 109.062 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.18 -34.09 76.78 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.812 0.845 . . . . 72.32 111.353 -176.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.35 -40.54 71.38 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.799 1.24 . . . . 71.23 111.515 172.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.9 tp -71.37 -33.65 69.74 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.769 1.227 . . . . 75.14 111.194 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.2 mt -63.23 -39.6 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 122.972 0.509 . . . . 72.2 110.834 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -57.4 -33.19 67.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 123.82 0.7 . . . . 74.14 110.543 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HE2' HD11 ' A' ' 114' ' ' LEU . 49.1 mtpt -81.33 -42.94 19.79 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.806 1.242 . . . . 41.15 110.722 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.72 -36.0 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.945 0.898 . . . . 61.52 109.835 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.606 ' HE2' HG11 ' A' ' 29' ' ' VAL . 8.6 mtpm? -58.83 -57.03 14.84 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.167 -0.924 . . . . 72.1 109.557 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -56.85 -32.24 65.59 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.216 0.606 . . . . 43.54 112.053 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.73 -55.41 23.5 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.263 0.625 . . . . 74.54 111.128 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.0 m -80.91 -22.68 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 112.911 0.708 . . . . 71.24 112.911 -171.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.13 -21.64 60.68 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.662 0.785 . . . . 62.44 110.803 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.94 -18.85 64.88 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.175 0.59 . . . . 63.34 111.019 170.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -108.56 8.78 27.34 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.015 0.926 . . . . 74.2 111.264 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.38 37.39 62.81 Favored Glycine 0 C--N 1.347 1.145 0 N-CA-C 114.287 0.475 . . . . 55.21 114.287 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -75.82 127.21 32.54 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.832 -0.433 . . . . 71.23 109.832 170.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -79.79 114.23 18.55 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.35 -0.982 . . . . 73.11 108.35 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.606 HG11 ' HE2' ' A' ' 19' ' ' LYS . 43.0 t -87.15 127.91 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.859 -0.422 . . . . 75.44 109.859 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HB2' HD13 ' A' ' 56' ' ' ILE . 2.4 mpt_? -117.33 159.49 22.64 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.374 1.07 . . . . 73.42 108.506 170.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -129.84 112.68 13.81 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.377 -0.972 . . . . 64.33 108.377 171.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.637 HG12 HD13 ' A' ' 63' ' ' LEU . 63.3 t -111.7 110.76 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.417 1.087 . . . . 51.14 108.302 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -103.77 -36.76 7.73 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.713 0.805 . . . . 72.3 109.759 175.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -117.0 158.83 23.46 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.543 0.737 . . . . 74.11 110.658 -173.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.2 t -65.75 -21.84 66.55 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.606 1.162 . . . . 62.21 112.022 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 18.4 t70 -60.11 -58.88 6.64 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 123.476 0.71 . . . . 65.25 109.358 170.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.71 -27.57 67.99 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.626 1.204 . . . . 75.41 111.275 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.3 tp -65.28 -61.5 2.09 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.484 0.714 . . . . 63.5 110.474 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -68.38 -25.08 64.89 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 123.541 0.525 . . . . 72.43 111.997 -172.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 4.5 mmmp? -62.34 -48.24 80.68 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.715 0.635 . . . . 74.53 110.036 175.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 62.8 mm-40 -77.8 -27.23 50.09 Favored 'General case' 0 C--N 1.348 0.5 0 N-CA-C 112.337 0.495 . . . . 72.03 112.337 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.463 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 93.2 mmm -66.57 -31.29 71.9 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.119 0.168 . . . . 62.41 110.651 174.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -61.41 -48.59 80.5 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 109.285 -0.635 . . . . 73.32 109.285 169.763 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -57.59 -36.75 72.15 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.905 0.882 . . . . 74.33 111.279 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 51.5 mt -70.31 -36.77 74.53 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.699 0.8 . . . . 62.41 110.638 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.9 -36.96 64.8 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.677 0.791 . . . . 72.33 112.192 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 6.3 mm-40 -75.47 -61.85 1.77 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.887 -0.783 . . . . 64.22 108.887 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -93.43 93.78 8.33 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 108.623 -0.88 . . . . 64.04 108.623 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.685 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -101.22 8.93 42.35 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.29 1.036 . . . . 73.44 109.75 173.421 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -65.01 162.71 16.11 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.773 1.229 . . . . 72.45 110.247 168.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.01 129.53 41.88 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 120.957 0.408 . . . . 72.4 111.508 -175.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 11.3 tp10 -159.54 158.84 32.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.156 -0.929 . . . . 73.42 109.104 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 57.0 mtmt -125.57 115.67 20.54 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.198 -1.038 . . . . 75.12 108.198 175.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.5 mt -127.44 125.9 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.165 0.986 . . . . 52.21 109.829 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.3 tp -86.46 131.92 34.06 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.22 -1.03 . . . . 73.42 108.22 169.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.405 HD13 ' HB2' ' A' ' 30' ' ' ARG . 30.5 mm -115.47 122.11 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 108.719 -0.845 . . . . 64.12 108.719 172.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -96.52 140.26 31.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.318 1.047 . . . . 72.45 109.053 171.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.435 ' HB2' HD11 ' A' ' 64' ' ' LEU . 68.8 m -149.43 144.74 26.54 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.21 0.604 . . . . 43.42 111.214 174.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -102.51 -2.32 28.84 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.209 1.004 . . . . 75.33 110.223 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.437 ' HB3' HD12 ' A' ' 63' ' ' LEU . 24.1 t70 -118.82 139.11 52.14 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.031 0.932 . . . . 61.0 109.685 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.51 -36.15 38.95 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.596 0.758 . . . . 73.51 112.424 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -69.21 -34.51 74.99 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.879 0.871 . . . . 71.32 110.99 -169.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.637 HD13 HG12 ' A' ' 32' ' ' VAL . 86.0 mt -52.27 -40.1 61.3 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.883 0.873 . . . . 75.3 111.587 176.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 58' ' ' SER . 6.6 mp -70.57 -40.1 73.52 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.33 1.052 . . . . 74.05 110.489 -176.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -61.72 -56.47 19.28 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.196 -0.668 . . . . 74.23 109.196 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -54.62 -43.28 72.13 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 125.045 1.466 . . . . 75.51 110.953 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.495 ' SD ' HD21 ' A' ' 6' ' ' LEU . 33.9 ttm -60.12 -53.04 62.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.169 0.987 . . . . 74.33 110.423 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.412 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 96.6 mt -68.82 -26.91 65.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.218 1.007 . . . . 74.25 112.19 -175.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.78 -30.36 64.04 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.181 0.592 . . . . 61.51 110.4 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.6 mt -84.12 -28.25 27.62 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.616 0.766 . . . . 73.31 110.732 174.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.469 HD13 HG21 ' A' ' 78' ' ' VAL . 70.2 mt -73.17 -22.43 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.052 0.941 . . . . 72.12 109.861 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.9 t -57.67 -31.3 66.2 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.343 0.657 . . . . 74.42 111.169 171.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -73.6 -33.57 64.67 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.528 0.731 . . . . 74.01 111.457 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -81.61 -48.42 11.77 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.128 0.571 . . . . 65.45 111.159 -174.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.42 73.74 1.15 Allowed Glycine 0 C--N 1.343 0.938 0 C-N-CA 123.391 0.52 . . . . 51.43 113.53 172.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -149.49 174.18 12.77 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.172 0.589 . . . . 75.41 111.18 174.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -73.45 120.79 19.54 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.989 0.916 . . . . 73.12 111.105 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.469 HG21 HD13 ' A' ' 71' ' ' ILE . 42.1 t -124.94 139.28 51.52 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.813 -0.81 . . . . 71.21 108.813 169.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -107.33 157.93 17.55 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.972 1.309 . . . . 70.22 108.388 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 81' ' ' LEU . 18.6 tp -148.36 136.2 20.85 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.061 0.458 . . . . 54.41 110.578 177.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.428 HD21 ' HB1' ' A' ' 113' ' ' ALA . 41.8 tp -125.11 133.37 52.88 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.448 1.099 . . . . 72.53 109.239 174.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.545 ' HB3' HD22 ' A' ' 90' ' ' LEU . 75.0 mt -121.06 124.75 45.58 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.267 1.027 . . . . 64.51 108.708 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.438 ' HB2' HG23 ' A' ' 107' ' ' VAL . . . -142.94 110.62 5.85 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 118.421 0.555 . . . . 73.33 110.742 178.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' HB3' HD11 ' A' ' 90' ' ' LEU . 24.0 t70 -159.51 162.72 35.55 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.037 0.535 . . . . 72.14 110.079 -177.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.36 -47.32 81.93 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.944 1.298 . . . . 62.31 110.522 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -78.37 83.03 4.62 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.638 -1.245 . . . . 71.53 107.638 173.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.56 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -73.43 -21.21 60.53 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.579 -1.191 . . . . 74.31 110.808 -179.353 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -71.35 -43.19 67.43 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.491 1.116 . . . . 72.31 111.016 -174.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -68.56 -31.8 71.27 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 123.502 0.501 . . . . 74.45 110.649 178.124 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 82' ' ' LEU . 78.8 mt -69.08 -39.76 78.87 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.604 0.761 . . . . 75.31 110.455 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.461 ' HB2' ' HZ3' ' A' ' 106' ' ' LYS . 35.6 tt0 -69.28 -35.19 75.79 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.492 0.495 . . . . 75.23 110.352 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -69.55 -45.67 68.2 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.936 0.894 . . . . 74.51 109.482 176.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.429 ' HD2' HD11 ' A' ' 82' ' ' LEU . 55.8 t80 -62.55 -46.71 87.11 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.934 1.294 . . . . 64.12 111.079 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -34.55 78.58 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.531 -0.758 . . . . 64.44 110.365 -173.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -62.08 -33.34 74.23 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.388 0.675 . . . . 73.53 111.88 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -72.6 -45.01 61.21 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.816 0.846 . . . . 54.23 110.597 176.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.1 mm -66.84 -33.15 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-O 122.025 0.917 . . . . 72.11 110.552 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.45 -35.56 68.3 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.503 1.521 . . . . 73.23 110.118 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -72.31 -30.11 64.48 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.783 -1.099 . . . . 63.22 110.418 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 97.9 mt-30 -66.98 -19.72 65.76 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.133 0.573 . . . . 65.12 111.23 173.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.44 27.53 9.13 Favored Glycine 0 C--N 1.348 1.245 0 C-N-CA 122.845 0.26 . . . . 44.42 112.556 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -109.1 144.28 37.34 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.323 0.649 . . . . 73.23 110.013 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -72.99 113.12 9.66 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 108.779 -0.823 . . . . 63.21 108.779 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.4 p -139.18 142.22 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.056 0.543 . . . . 55.31 109.935 -175.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -133.72 139.04 46.15 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.549 0.74 . . . . 75.04 109.911 -177.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.56 ' HE3' ' HB2' ' A' ' 87' ' ' GLU . 1.7 tmtp? -102.69 122.86 45.29 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.827 1.251 . . . . 73.4 108.101 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.438 HG23 ' HB2' ' A' ' 83' ' ' ALA . 33.1 m -137.93 -178.97 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.892 1.277 . . . . 70.24 109.657 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 m -148.9 -42.38 0.15 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.561 0.745 . . . . 74.1 109.618 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.04 154.04 31.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.82 0.848 . . . . 75.14 111.143 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.56 -60.26 2.88 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.593 1.157 . . . . 73.53 111.852 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.15 -21.18 56.88 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 120.619 0.247 . . . . 73.22 110.76 -174.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.502 ' O ' HG12 ' A' ' 116' ' ' ILE . 42.8 tt0 -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 115.592 -0.731 . . . . 64.33 110.046 170.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.428 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -61.91 -44.5 96.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 122.53 0.332 . . . . 74.12 111.24 175.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.434 HD11 ' HE2' ' A' ' 17' ' ' LYS . 96.1 mt -62.93 -38.18 90.0 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.411 0.684 . . . . 60.41 112.042 -176.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 14.0 ptmm? -74.54 -26.58 60.05 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.646 0.378 . . . . 75.45 110.955 -177.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 112' ' ' GLU . 37.5 mm -73.01 -42.96 59.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 123.548 0.739 . . . . 62.33 110.543 175.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 113' ' ' ALA . 93.4 t -56.07 -40.19 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.398 0.679 . . . . 74.1 110.092 175.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 99.9 mtt180 -64.46 -32.69 74.43 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.443 -0.799 . . . . 70.43 111.638 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.85 -48.3 74.83 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 110.346 -0.242 . . . . 70.12 110.346 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 22.8 m-30 -54.91 -36.51 65.28 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.496 0.719 . . . . 73.25 111.57 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 78.6 mtp -73.02 -31.24 64.33 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.044 0.938 . . . . 72.5 111.073 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 84.9 mm-40 -67.37 -43.67 80.86 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.307 0.643 . . . . 70.13 110.828 175.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 3.8 mptp? -62.03 -46.13 90.51 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 109.203 -0.666 . . . . 74.5 109.203 173.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.571 ' HA ' HD12 ' A' ' 127' ' ' LEU . . . -61.89 -41.57 98.04 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.314 1.046 . . . . 63.1 112.533 -171.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.1 -48.69 84.85 Favored Glycine 0 C--N 1.346 1.119 0 N-CA-C 111.102 -0.799 . . . . 72.32 111.102 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.0 m -60.41 -29.14 68.79 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.44 1.096 . . . . 73.4 112.516 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 124' ' ' ALA . 75.2 mt -69.49 -33.19 72.51 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.478 0.711 . . . . 71.42 110.938 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -71.14 -33.65 70.28 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.428 -0.806 . . . . 61.25 110.985 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -80.16 30.8 0.27 Allowed 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.58 0.956 . . . . 75.44 113.58 -171.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -78.58 66.99 4.24 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 108.414 -0.958 . . . . 62.22 108.414 164.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -79.04 79.85 5.41 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.826 0.85 . . . . 74.05 111.671 -173.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -81.88 130.36 35.05 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 114.896 -1.047 . . . . 71.43 109.925 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -153.1 9.08 0.43 Allowed 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.25 0.62 . . . . 75.23 110.88 -176.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 . . . . . 0 CA--C 1.553 1.067 0 N-CA-C 108.573 -0.899 . . . . 73.3 108.573 176.717 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.678 -0.49 . . . . 65.21 109.678 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.482 ' HE3' HD11 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -160.01 168.1 26.4 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.395 1.078 . . . . 72.13 108.852 172.409 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.611 HD13 ' HB1' ' A' ' 124' ' ' ALA . 75.8 mt -110.09 123.06 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 109.158 -0.682 . . . . 61.32 109.158 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.482 HD11 ' HE3' ' A' ' 2' ' ' LYS . 9.6 mp -122.21 121.81 37.69 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.814 -0.81 . . . . 74.23 108.814 168.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.6 mt -106.63 112.17 38.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.506 -1.294 . . . . 70.41 107.506 169.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.508 HD21 ' SD ' ' A' ' 67' ' ' MET . 85.7 mt -87.02 124.3 33.05 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.884 0.874 . . . . 73.45 109.031 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.433 HG13 HG21 ' A' ' 18' ' ' ILE . 46.0 mm -111.84 116.08 51.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 108.646 -0.872 . . . . 71.45 108.646 173.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.431 ' OD1' ' HG2' ' A' ' 61' ' ' LYS . 28.1 t-20 -124.56 104.67 8.84 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 108.185 -1.043 . . . . 70.12 108.185 169.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 4.5 t -130.94 143.95 51.11 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.844 -0.616 . . . . 74.2 111.09 175.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -65.65 -24.36 67.01 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.731 1.212 . . . . 63.12 109.693 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -95.71 93.97 7.42 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.445 1.098 . . . . 65.01 109.383 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.08 -25.49 68.13 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.225 0.61 . . . . 74.11 111.096 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.65 -42.33 98.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.945 0.898 . . . . 72.44 111.178 174.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.54 -34.49 74.2 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.965 0.906 . . . . 74.41 111.045 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.36 -41.31 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.083 0.553 . . . . 71.22 111.495 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 66.9 mttm -50.93 -43.67 60.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 123.719 0.637 . . . . 75.44 110.867 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.64 -42.17 71.2 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.292 -1.322 . . . . 73.32 110.265 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.433 HG21 HG13 ' A' ' 7' ' ' ILE . 83.0 mt -63.44 -33.34 60.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 123.801 0.84 . . . . 72.43 111.155 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 25.1 mtpp -62.84 -53.73 49.68 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.568 0.747 . . . . 74.24 110.175 177.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -63.74 -32.81 74.43 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.256 -0.884 . . . . 73.31 110.013 -178.318 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.79 -48.93 72.69 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.915 1.286 . . . . 64.51 110.88 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.6 HG11 HD13 ' A' ' 55' ' ' LEU . 26.3 m -73.4 -24.29 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 115.935 -0.575 . . . . 74.44 111.979 -176.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 50.1 mt-10 -61.68 -27.39 68.65 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.978 0.511 . . . . 74.53 111.775 173.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -68.52 -17.19 64.11 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.808 0.443 . . . . 73.14 111.981 176.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -111.34 -3.38 15.3 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.617 0.767 . . . . 71.35 111.448 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.43 32.43 22.43 Favored Glycine 0 C--N 1.351 1.387 0 O-C-N 123.31 0.381 . . . . 64.54 113.894 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.571 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 4.3 m-85 -88.19 141.27 28.7 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.203 0.601 . . . . 64.31 110.041 174.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.71 167.73 17.92 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.853 -1.067 . . . . 65.5 108.304 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.9 t -127.59 128.8 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 108.38 -0.97 . . . . 64.5 108.38 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.649 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -121.22 111.57 17.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.277 1.031 . . . . 74.33 109.638 -177.356 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.62 111.9 19.53 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.352 0.596 . . . . 73.01 110.916 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.51 HG12 HD13 ' A' ' 63' ' ' LEU . 89.9 t -102.72 108.62 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.467 -1.242 . . . . 62.32 107.883 167.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.47 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 26.0 m-80 -93.19 -36.82 12.42 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.023 0.929 . . . . 73.23 110.511 -178.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' H ' ' HB2' ' A' ' 37' ' ' GLU . 38.9 t70 -141.63 172.86 12.11 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.323 -0.853 . . . . 73.44 110.364 -166.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -58.47 -35.83 72.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.736 1.214 . . . . 73.12 112.179 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.75 -49.55 67.97 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.509 0.724 . . . . 73.41 109.617 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 8.8 mm-40 -56.69 -40.13 75.05 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 124.15 0.906 . . . . 73.43 110.721 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' A' ' 66' ' ' GLU . 43.8 tp -60.49 -61.23 2.75 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.898 0.879 . . . . 70.54 110.079 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -64.04 -36.03 82.65 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 124.108 0.88 . . . . 71.23 111.454 -171.228 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -56.46 -51.84 66.91 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 122.755 0.422 . . . . 75.45 109.943 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 11.1 mm-40 -73.44 -24.44 60.24 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 115.344 -0.844 . . . . 73.13 110.83 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.74 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 74.8 mmm -70.39 -35.42 73.48 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 118.64 -0.695 . . . . 73.31 112.102 -178.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -59.48 -43.8 93.2 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 109.485 -0.561 . . . . 60.42 109.485 170.13 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.498 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 11.3 mmpt? -60.31 -61.07 2.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.826 0.704 . . . . 74.31 110.366 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.467 HD13 HD21 ' A' ' 4' ' ' LEU . 51.6 mt -55.76 -30.34 61.09 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.116 1.366 . . . . 60.21 111.962 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.2 -47.67 41.64 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 123.191 0.596 . . . . 50.32 111.252 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 36.5 mm-40 -68.29 -22.54 64.72 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.511 0.724 . . . . 74.1 111.525 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 44' ' ' LYS . 50.1 mt-10 -74.26 91.12 2.13 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.451 0.7 . . . . 74.5 111.034 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -85.37 -16.12 40.94 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.661 0.784 . . . . 73.11 109.963 169.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -66.58 142.45 57.48 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.603 0.761 . . . . 75.44 110.531 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -75.8 118.17 18.32 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.501 -0.772 . . . . 73.44 109.607 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -155.39 143.88 20.37 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.143 0.497 . . . . 52.12 110.501 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.593 ' HG2' HD12 ' A' ' 3' ' ' ILE . 18.0 mtmm -91.04 108.41 19.84 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 125.714 1.606 . . . . 64.25 109.306 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.9 mt -123.91 125.58 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 123.733 0.813 . . . . 72.21 109.766 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.6 HD13 HG11 ' A' ' 22' ' ' VAL . 16.0 tp -90.01 123.14 33.65 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.633 -1.247 . . . . 75.44 107.633 168.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.4 mm -95.24 120.23 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 109.115 -0.698 . . . . 53.45 109.115 173.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -92.98 122.31 35.21 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.813 1.245 . . . . 53.44 108.431 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.576 ' HB3' HD11 ' A' ' 64' ' ' LEU . 36.2 t -158.38 139.05 12.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.075 0.464 . . . . 54.51 110.131 175.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -100.01 -16.1 18.03 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.897 0.879 . . . . 54.34 110.201 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.28 131.6 42.61 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.234 0.614 . . . . 62.13 110.019 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG2' ' OD1' ' A' ' 8' ' ' ASN . 90.5 mttt -79.23 -29.14 42.6 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.652 1.181 . . . . 65.23 112.279 -171.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 14.0 mm100 -69.56 -39.93 77.11 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.073 0.549 . . . . 75.11 110.882 -177.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.51 HD13 HG12 ' A' ' 32' ' ' VAL . 92.3 mt -56.1 -39.73 72.6 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.721 0.808 . . . . 72.33 112.541 -176.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.6 mp -71.76 -30.82 65.99 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.307 0.643 . . . . 73.3 111.073 -177.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 50.8 mtpt -66.2 -49.96 65.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.101 0.561 . . . . 75.22 110.056 175.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 15.9 mm-40 -60.64 -36.55 78.95 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.0 0.92 . . . . 64.45 110.455 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.74 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 44.1 ttm -63.19 -49.34 74.63 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.261 -1.336 . . . . 64.02 110.497 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.478 HD23 HD12 ' A' ' 71' ' ' ILE . 90.5 mt -67.86 -20.72 65.17 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.756 0.823 . . . . 72.02 112.753 -175.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.7 -32.12 65.53 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.916 0.389 . . . . 64.04 110.456 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.3 mt -83.14 -35.4 25.6 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.621 0.768 . . . . 71.54 110.16 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.491 HG21 HG21 ' A' ' 78' ' ' VAL . 57.7 mt -67.76 -26.25 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.879 0.872 . . . . 74.35 110.538 177.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.5 t -55.28 -35.32 64.93 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.748 0.819 . . . . 64.13 111.452 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -75.71 -27.87 58.36 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.701 0.801 . . . . 73.41 111.174 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 71' ' ' ILE . 47.8 mt -84.28 -44.64 13.65 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.975 0.91 . . . . 63.13 110.908 -173.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.1 70.03 1.3 Allowed Glycine 0 C--N 1.349 1.291 0 CA-C-N 116.054 -0.521 . . . . 40.55 114.089 172.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -141.24 159.63 41.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.518 0.727 . . . . 74.43 110.244 172.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -70.61 114.6 8.88 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.943 0.897 . . . . 71.42 110.505 -175.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.491 HG21 HG21 ' A' ' 71' ' ' ILE . 60.1 t -110.7 139.93 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.093 0.957 . . . . 63.23 109.5 176.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -116.82 109.26 16.87 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.164 0.986 . . . . 54.3 109.123 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.468 HD23 HG21 ' A' ' 97' ' ' ILE . 17.6 tp -102.46 127.82 49.34 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.717 0.807 . . . . 74.4 110.091 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.8 tp -111.06 126.36 54.73 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.706 0.803 . . . . 70.1 109.333 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.617 ' HB3' HD22 ' A' ' 90' ' ' LEU . 95.1 mt -107.5 118.95 38.06 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.362 1.065 . . . . 72.43 108.307 174.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -132.24 110.31 10.54 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.99 0.516 . . . . 54.25 109.886 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -141.5 166.13 25.61 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 107.767 -1.197 . . . . 71.51 107.767 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.432 ' HG3' ' H ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -70.62 -6.86 39.9 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.173 0.589 . . . . 72.34 112.15 175.577 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -133.4 118.38 18.36 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.029 0.932 . . . . 71.43 110.351 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.77 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -80.65 -22.39 40.55 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.819 1.248 . . . . 74.23 112.223 -179.218 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.59 -49.28 71.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.784 0.834 . . . . 74.31 110.812 -173.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.44 -39.27 88.81 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.526 0.73 . . . . 63.42 110.585 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' A' ' 82' ' ' LEU . 81.7 mt -63.96 -38.95 92.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.907 0.483 . . . . 73.35 111.63 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.534 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 32.7 tt0 -69.76 -39.64 76.57 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 123.435 0.459 . . . . 64.33 109.77 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.36 -40.4 94.16 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 124.646 1.178 . . . . 72.44 109.766 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.75 -48.01 64.8 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.807 1.243 . . . . 53.24 111.033 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.451 ' HG3' ' HA ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -69.72 -18.62 63.54 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.862 0.465 . . . . 54.22 111.437 -173.061 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 27.6 mmm180 -64.81 -36.95 85.98 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.249 0.62 . . . . 75.31 111.195 175.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.24 -47.7 83.23 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.347 0.659 . . . . 72.22 110.456 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.468 HG21 HD23 ' A' ' 80' ' ' LEU . 34.2 mm -67.39 -38.92 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 114.879 -1.055 . . . . 74.22 110.574 -173.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.03 -31.22 64.31 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.838 1.255 . . . . 61.13 110.523 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.5 t -71.92 -21.37 61.63 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.088 0.555 . . . . 64.32 111.015 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -88.05 -3.37 58.91 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.603 0.761 . . . . 73.11 110.859 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.04 36.74 45.46 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.144 0.277 . . . . 53.22 113.388 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -109.6 142.6 40.47 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.441 0.696 . . . . 75.43 109.979 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -74.23 113.73 11.76 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 123.818 0.847 . . . . 64.4 108.792 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.7 p -138.95 127.52 28.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 O-C-N 123.201 0.313 . . . . 64.43 111.311 -173.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -113.83 142.28 46.29 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.771 0.829 . . . . 54.13 110.02 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.77 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -109.58 123.9 50.23 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.964 1.305 . . . . 71.13 108.892 179.093 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.1 m -139.1 163.05 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 124.304 1.042 . . . . 74.5 109.531 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.5 p -128.23 -10.28 5.26 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.631 0.773 . . . . 51.45 112.347 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -109.04 155.03 21.4 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.574 0.35 . . . . 54.44 110.795 -173.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.6 -60.47 2.69 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.767 1.227 . . . . 61.14 111.435 -175.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.26 -27.07 64.14 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.226 0.329 . . . . 72.3 110.115 -175.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.561 ' O ' HG12 ' A' ' 116' ' ' ILE . 9.0 tp10 -61.75 -48.24 81.59 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 123.937 0.773 . . . . 72.42 109.857 174.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.29 -48.78 76.65 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.173 0.589 . . . . 73.25 111.346 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 64.6 mt -55.15 -39.97 70.08 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.253 1.021 . . . . 70.44 111.386 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -62.52 -47.8 82.32 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.742 1.217 . . . . 72.31 110.434 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 112' ' ' GLU . 46.2 mm -68.7 -31.75 52.15 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 O-C-N 123.951 0.782 . . . . 75.13 111.258 -177.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.23 -47.04 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 123.472 0.709 . . . . 72.33 110.222 173.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -68.18 -36.46 79.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.091 -0.959 . . . . 73.32 110.965 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.78 -34.47 75.61 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.044 -0.525 . . . . 72.24 110.959 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -63.19 -38.78 92.51 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.037 0.535 . . . . 72.23 110.791 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 22' ' ' VAL . 77.3 mtm -73.0 -28.51 62.42 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.726 0.639 . . . . 53.33 112.726 -177.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.94 -34.72 44.18 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.588 0.631 . . . . 64.24 110.485 177.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.37 -30.18 68.12 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 122.941 0.496 . . . . 75.24 110.247 171.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.611 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -77.11 -29.24 54.73 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.4 -0.818 . . . . 73.5 110.685 177.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.32 -24.23 70.53 Favored Glycine 0 C--N 1.349 1.265 0 N-CA-C 112.189 -0.364 . . . . 73.4 112.189 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.9 t -72.71 -21.88 60.98 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.246 1.018 . . . . 72.43 110.569 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.96 -14.84 58.29 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.879 0.871 . . . . 73.21 111.283 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.1 -27.95 69.74 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.49 0.662 . . . . 64.41 109.968 172.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -81.01 140.88 34.9 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 107.852 -1.166 . . . . 75.45 107.852 170.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -55.48 102.43 0.07 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.594 0.758 . . . . 75.02 111.17 -175.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -93.1 113.75 26.09 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.615 0.766 . . . . 73.25 109.123 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -74.47 121.89 22.18 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.74 0.816 . . . . 73.35 110.657 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -118.22 160.65 21.22 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 108.3 -1.0 . . . . 74.25 108.3 168.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 . . . . . 0 CA--C 1.558 1.257 0 N-CA-C 109.298 -0.631 . . . . 65.11 109.298 174.815 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.731 -0.47 . . . . 74.43 109.731 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.613 ' HZ1' ' HA ' ' A' ' 45' ' ' LEU . 69.2 tttt -158.87 134.46 8.69 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.049 -1.093 . . . . 52.24 108.049 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.414 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 68.4 mt -107.7 123.29 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 122.851 0.46 . . . . 72.53 110.137 -175.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.412 HD21 HD22 ' A' ' 45' ' ' LEU . 11.1 mp -118.98 141.94 48.22 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 108.62 -0.881 . . . . 74.24 108.62 171.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.9 mt -124.75 112.35 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 107.12 -1.437 . . . . 71.14 107.12 167.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' HB2' HD13 ' A' ' 80' ' ' LEU . 81.8 mt -88.2 137.04 32.68 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.459 -0.941 . . . . 63.1 108.459 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.4 mm -127.95 115.83 40.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 108.112 -1.07 . . . . 64.1 108.112 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -127.94 103.55 7.31 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 107.588 -1.264 . . . . 73.33 107.588 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 8.1 t -129.43 145.35 51.43 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.254 -0.884 . . . . 72.43 109.948 174.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -73.53 -19.59 60.87 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 115.225 -0.898 . . . . 73.51 111.061 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -109.51 115.3 29.66 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.26 0.552 . . . . 74.32 110.369 173.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.74 -19.44 64.34 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.46 0.704 . . . . 73.54 111.498 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -55.54 -38.47 69.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.273 0.629 . . . . 65.1 110.923 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 110' ' ' ASP . 19.4 tp -64.69 -44.86 88.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.105 -0.952 . . . . 63.14 111.229 176.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.521 HG21 ' HD2' ' A' ' 57' ' ' LYS . 57.2 mt -60.16 -41.29 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.796 0.438 . . . . 60.04 110.747 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.508 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 10.5 mtmp? -61.57 -26.9 68.25 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.568 0.542 . . . . 65.25 112.129 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.55 ' HE3' ' HB3' ' A' ' 110' ' ' ASP . 36.7 mtmm -78.93 -46.43 18.4 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.808 0.443 . . . . 64.11 111.413 170.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.18 -32.15 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.207 1.003 . . . . 72.03 111.254 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 28.9 mtpp -57.45 -53.17 61.21 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.418 -0.81 . . . . 64.33 109.608 174.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -65.23 -34.13 77.62 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.628 -0.715 . . . . 75.52 111.017 -175.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.56 -53.89 53.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.597 0.759 . . . . 74.41 110.275 174.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.526 HG11 HD13 ' A' ' 55' ' ' LEU . 19.2 m -76.37 -17.5 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 N-CA-C 112.531 0.567 . . . . 60.33 112.531 -173.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 28.9 mm-40 -62.36 -33.1 74.08 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.406 0.282 . . . . 62.54 111.506 174.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -59.62 -29.48 68.04 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.379 0.672 . . . . 63.11 112.058 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -110.37 8.65 23.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.539 0.736 . . . . 70.41 112.755 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.14 38.32 59.35 Favored Glycine 0 C--N 1.344 0.976 0 N-CA-C 114.425 0.53 . . . . 75.53 114.425 170.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -79.82 157.65 26.98 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 121.105 0.479 . . . . 74.23 110.423 172.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -106.0 113.94 27.79 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.821 1.248 . . . . 70.04 108.023 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.8 t -89.56 124.36 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-O 120.917 0.389 . . . . 64.14 110.407 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HE ' ' HB3' ' A' ' 41' ' ' GLU . 23.8 tpt180 -128.04 118.88 24.29 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.737 1.215 . . . . 73.45 108.568 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -100.91 120.97 40.94 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.444 0.64 . . . . 75.41 110.829 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.425 HG22 ' HG2' ' A' ' 41' ' ' GLU . 42.4 t -88.3 114.1 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 125.118 1.367 . . . . 65.14 109.066 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.458 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 6.0 m120 -91.59 -24.13 19.67 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.459 0.704 . . . . 64.23 111.884 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -161.2 172.15 17.19 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.299 0.639 . . . . 54.33 109.954 -171.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.3 p -63.25 -27.6 69.45 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.591 0.756 . . . . 64.44 111.757 176.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.92 -50.44 68.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.736 0.815 . . . . 74.42 109.1 172.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 57.5 mm-40 -59.48 -33.28 71.13 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.918 -1.037 . . . . 74.54 111.109 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 67' ' ' MET . 36.3 tp -62.58 -56.19 20.22 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 123.749 0.656 . . . . 73.23 110.639 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -65.79 -29.02 69.46 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 111.599 0.222 . . . . 73.24 111.599 -177.459 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.76 -51.64 68.88 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.871 0.468 . . . . 65.5 111.138 174.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.559 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.17 -24.02 40.66 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.263 -0.426 . . . . 51.44 111.203 -178.06 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.536 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 40.8 mmm -65.09 -30.48 71.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.984 0.514 . . . . 73.43 110.979 174.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.1 -35.61 76.64 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.744 0.307 . . . . 73.24 110.481 170.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -70.36 -27.31 64.24 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.885 0.474 . . . . 72.13 110.562 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.613 ' HA ' ' HZ1' ' A' ' 2' ' ' LYS . 76.9 mt -83.54 -43.49 15.66 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.717 0.807 . . . . 62.33 111.44 178.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.57 -51.08 5.43 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.07 0.767 . . . . 72.51 113.07 -168.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.46 -46.43 76.41 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.688 -0.856 . . . . 72.03 108.688 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -95.82 102.63 14.44 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.044 -0.98 . . . . 51.34 109.922 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -102.52 17.36 23.84 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.817 -0.628 . . . . 55.21 109.759 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -62.94 150.61 41.71 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.147 0.579 . . . . 75.41 109.748 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.08 107.16 1.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 109.879 -0.415 . . . . 52.34 109.879 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -146.15 142.2 28.24 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 123.654 0.782 . . . . 71.01 108.935 175.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 53.8 mtmt -99.72 112.98 25.17 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.149 0.98 . . . . 72.11 108.37 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.7 121.08 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 O-C-N 123.359 0.412 . . . . 61.51 110.442 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.526 HD13 HG11 ' A' ' 22' ' ' VAL . 19.3 tp -84.18 108.39 17.05 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.09 -1.078 . . . . 74.34 108.09 167.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.408 ' HB ' HD23 ' A' ' 6' ' ' LEU . 35.5 mm -91.42 121.93 42.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.896 0.379 . . . . 75.32 110.135 176.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.521 ' HD2' HG21 ' A' ' 15' ' ' ILE . 64.3 tttt -93.37 143.54 26.18 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.073 -1.084 . . . . 64.35 108.073 162.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.414 ' HB3' HD11 ' A' ' 64' ' ' LEU . 34.4 t -153.84 127.77 8.9 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.917 -0.771 . . . . 73.21 108.917 169.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -74.47 -37.49 63.18 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.965 0.791 . . . . 73.4 110.175 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -84.68 128.18 34.47 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.9 -0.591 . . . . 71.31 109.494 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -79.7 -26.62 40.85 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.346 1.058 . . . . 74.51 111.613 -170.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 24.5 mm-40 -72.32 -38.41 68.67 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.596 0.358 . . . . 73.22 110.61 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 38' ' ' LEU . 83.3 mt -53.1 -32.77 49.03 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 124.21 0.944 . . . . 75.11 112.786 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.414 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.1 mp -65.23 -43.43 91.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.266 0.627 . . . . 73.15 111.123 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -66.4 -45.73 78.98 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.573 0.545 . . . . 73.43 110.481 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 6.4 mm-40 -64.75 -31.37 72.57 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.91 0.884 . . . . 74.13 111.007 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.536 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 41.5 ttm -69.64 -54.51 13.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.033 0.933 . . . . 64.15 110.13 175.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.461 HD23 HD12 ' A' ' 71' ' ' ILE . 81.1 mt -60.9 -31.57 71.07 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.049 0.94 . . . . 73.34 112.053 -175.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.16 -47.14 69.03 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.772 1.229 . . . . 75.52 110.266 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.1 mt -81.21 -31.89 33.72 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.107 -0.951 . . . . 62.35 111.459 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.538 HG21 HG21 ' A' ' 78' ' ' VAL . 50.7 mt -61.63 -30.43 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 123.897 0.879 . . . . 62.12 111.33 176.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.3 t -56.4 -31.84 64.25 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.566 0.746 . . . . 72.5 112.016 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' NZ ' ' HB3' ' A' ' 73' ' ' LYS . 8.2 mtpm? -75.69 -35.94 60.19 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.88 -0.6 . . . . 63.45 111.467 176.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.42 -35.29 77.42 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.392 0.677 . . . . 63.24 111.366 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.74 76.15 0.52 Allowed Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.286 -0.87 . . . . 75.42 113.46 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -151.89 168.76 24.13 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.447 0.699 . . . . 75.31 109.951 171.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -86.44 123.18 31.38 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.411 0.684 . . . . 72.11 109.361 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.538 HG21 HG21 ' A' ' 71' ' ' ILE . 43.2 t -119.58 144.45 28.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 124.519 1.127 . . . . 63.25 109.375 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -106.8 155.9 19.23 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.392 1.077 . . . . 73.02 108.387 172.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' A' ' 6' ' ' LEU . 15.0 tp -147.93 131.74 17.02 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.129 0.572 . . . . 74.43 109.743 176.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.482 HD21 ' HB1' ' A' ' 113' ' ' ALA . 40.8 tp -121.56 124.03 43.39 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.207 -0.906 . . . . 74.32 108.744 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.59 ' HB3' HD22 ' A' ' 90' ' ' LEU . 74.7 mt -110.91 125.98 54.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.634 -1.166 . . . . 71.54 108.157 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -138.37 121.5 16.84 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 121.064 0.459 . . . . 74.54 110.168 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' N ' HD11 ' A' ' 90' ' ' LEU . 35.6 t0 -168.6 150.91 5.06 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 107.06 -1.459 . . . . 72.42 107.06 -176.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -65.45 -34.84 79.24 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 123.735 0.647 . . . . 75.24 109.312 176.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.79 83.54 7.68 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 115.589 -0.732 . . . . 72.23 109.254 171.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.765 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 9.7 pt-20 -75.24 -21.19 58.78 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 114.814 -1.084 . . . . 71.33 112.074 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -62.43 -39.22 92.62 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.875 0.87 . . . . 73.11 110.519 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.4 -46.73 88.93 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.73 -1.123 . . . . 65.34 109.94 173.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 82' ' ' LEU . 45.4 mt -70.14 -28.09 65.07 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 114.741 -1.118 . . . . 51.43 111.436 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' HA ' ' HG3' ' A' ' 94' ' ' LYS . 46.6 mt-10 -70.85 -48.41 54.06 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.488 0.493 . . . . 71.43 110.055 177.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.461 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 3.5 mm-40 -58.18 -37.26 74.4 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.655 0.597 . . . . 73.33 110.847 174.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -57.5 10.91 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.401 1.08 . . . . 74.45 109.6 177.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -71.26 -24.77 62.23 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.674 0.62 . . . . 64.3 112.674 -170.509 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -66.16 -34.75 78.75 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.701 0.4 . . . . 71.41 111.118 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 13.6 mptt -73.58 -52.99 11.59 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.91 0.484 . . . . 75.23 109.815 175.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.508 HG22 ' HB2' ' A' ' 102' ' ' TYR . 40.1 mm -61.71 -42.03 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.778 0.831 . . . . 75.13 111.872 -173.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.68 -41.77 95.82 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.612 0.765 . . . . 72.41 109.994 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.5 t -65.81 -28.66 69.16 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.326 0.65 . . . . 70.0 111.179 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 56.1 mt-30 -80.37 -5.39 56.36 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.889 0.876 . . . . 70.14 111.695 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.17 45.21 4.5 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.194 0.309 . . . . 45.02 112.735 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.508 ' HB2' HG22 ' A' ' 97' ' ' ILE . 92.9 m-85 -124.54 151.06 45.17 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.458 0.703 . . . . 71.11 109.699 175.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -80.38 115.27 19.83 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.249 -1.019 . . . . 74.33 108.249 172.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.453 HG23 ' HG ' ' A' ' 80' ' ' LEU . 4.8 p -139.34 136.37 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 122.902 0.481 . . . . 51.21 110.074 -178.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -129.15 146.66 51.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.104 0.562 . . . . 73.11 110.001 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.765 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.8 OUTLIER -112.19 119.06 37.07 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.773 -1.103 . . . . 55.21 108.315 -179.734 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.6 m -129.77 -176.8 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.519 1.128 . . . . 74.04 109.255 175.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.1 p -131.34 -57.19 1.01 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.353 0.661 . . . . 45.0 110.343 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.72 159.16 22.63 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.388 0.675 . . . . 73.03 111.968 -171.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.55 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . 6.6 m-20 -62.78 -59.36 4.98 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 124.68 1.192 . . . . 71.42 112.832 -176.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.32 -21.34 58.5 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.771 0.319 . . . . 75.23 111.057 -171.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.35 -47.75 75.36 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.214 -0.903 . . . . 73.34 110.024 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.482 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -62.07 -39.33 92.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.082 -0.963 . . . . 65.53 111.885 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.2 -36.78 75.97 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.442 0.697 . . . . 72.04 111.986 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -59.24 -44.22 92.37 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.113 0.565 . . . . 65.34 110.524 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 22.2 mm -72.48 -32.73 42.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.07 -0.968 . . . . 73.15 110.786 -175.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 86.1 t -60.93 -47.64 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.202 0.601 . . . . 74.31 109.587 172.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.453 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 97.4 mtt180 -60.83 -37.89 83.6 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 123.928 0.767 . . . . 73.02 110.882 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.444 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 29.8 mm-40 -61.7 -48.49 80.53 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.697 0.623 . . . . 74.52 110.471 174.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -60.78 -30.13 69.86 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.264 0.626 . . . . 71.11 111.803 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 77.4 mtp -75.78 -27.48 58.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.803 0.841 . . . . 63.21 111.202 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 22.5 mm-40 -73.74 -42.73 60.72 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.483 0.659 . . . . 75.31 109.28 175.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.444 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 53.2 mttm -69.3 -39.89 78.01 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 114.243 -1.344 . . . . 71.12 110.594 -177.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.0 -31.77 66.55 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.78 -0.645 . . . . 60.21 110.239 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.96 -36.75 92.7 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 115.729 -0.668 . . . . 73.45 111.629 171.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.1 m -75.4 -24.04 57.12 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.63 0.772 . . . . 55.21 111.602 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 96.7 mt -75.69 -50.64 14.78 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.915 0.486 . . . . 75.04 110.447 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.78 -45.8 84.8 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.711 -0.677 . . . . 74.35 110.485 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -91.29 75.98 6.04 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 106.558 -1.645 . . . . 74.23 106.558 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -71.46 80.8 0.78 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 108.722 -0.844 . . . . 74.02 108.722 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -82.76 148.64 27.71 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.385 -1.279 . . . . 74.14 110.375 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -71.0 152.15 43.89 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.498 0.719 . . . . 74.35 111.093 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -124.24 167.31 14.47 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.925 0.89 . . . . 71.44 109.268 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.78 -0.629 . . . . 74.23 109.571 175.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 108.305 -0.998 . . . . 62.12 108.305 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -129.12 148.13 51.03 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.722 -0.844 . . . . 70.41 108.722 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.0 mt -91.75 105.65 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.201 -1.037 . . . . 71.21 108.201 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 mp -107.95 135.65 48.97 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.664 -0.865 . . . . 71.2 108.664 174.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.1 mt -123.66 111.12 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 107.62 -1.252 . . . . 74.13 107.62 169.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.585 HD21 ' SD ' ' A' ' 67' ' ' MET . 88.1 mt -89.89 129.73 36.21 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.371 0.668 . . . . 74.44 109.308 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.4 mm -117.92 117.98 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.615 -0.884 . . . . 63.34 108.615 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -129.87 102.57 6.36 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.609 -0.885 . . . . 51.45 108.609 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t -129.81 147.8 51.62 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.058 0.943 . . . . 61.24 110.047 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -62.09 -49.16 77.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.594 0.758 . . . . 73.21 109.898 176.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -86.41 117.1 24.99 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 121.165 0.507 . . . . 71.21 110.278 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.06 -27.25 65.47 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.163 0.985 . . . . 62.32 112.043 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.49 -29.81 68.11 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.694 0.798 . . . . 75.41 112.013 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.64 -41.05 93.05 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.256 -0.429 . . . . 71.15 111.323 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.545 HG21 ' HG2' ' A' ' 57' ' ' LYS . 33.3 mt -60.9 -37.28 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 123.291 0.369 . . . . 74.33 110.175 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -56.82 -39.47 74.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.001 0.92 . . . . 54.24 111.211 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -69.24 -47.79 63.72 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.147 -0.933 . . . . 74.15 110.102 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.69 -35.56 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.507 1.123 . . . . 55.51 111.017 -176.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -61.78 -56.59 17.86 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 115.557 -0.747 . . . . 72.13 110.038 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -68.75 -24.19 64.42 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.482 0.489 . . . . 54.41 111.536 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -62.06 -50.83 70.43 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.079 0.952 . . . . 74.11 110.435 173.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.432 HG12 ' SD ' ' A' ' 121' ' ' MET . 32.4 m -84.32 -25.79 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 115.718 -0.674 . . . . 71.23 112.465 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -68.06 -28.12 67.1 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.466 0.706 . . . . 54.13 111.12 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -54.36 -40.38 68.03 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.239 0.616 . . . . 71.41 110.049 170.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -97.67 11.54 36.72 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 114.791 -1.095 . . . . 75.55 112.696 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.28 37.61 27.7 Favored Glycine 0 C--N 1.346 1.131 0 N-CA-C 114.234 0.454 . . . . 73.44 114.234 171.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -89.78 122.79 33.19 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.807 0.443 . . . . 73.31 109.96 172.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -78.2 113.25 15.98 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.153 0.981 . . . . 62.12 109.284 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 55' ' ' LEU . 38.1 t -94.72 134.49 31.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 122.807 0.443 . . . . 60.54 110.386 -175.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -142.99 150.91 40.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.572 1.149 . . . . 73.0 108.242 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -116.93 150.09 39.08 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.871 0.868 . . . . 64.44 110.604 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.3 t -95.68 122.45 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 N-CA-C 108.262 -1.014 . . . . 42.54 108.262 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.615 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 40.9 m-80 -103.61 -11.08 17.93 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.921 0.489 . . . . 73.24 111.802 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -173.28 170.21 4.32 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.619 0.768 . . . . 75.13 109.922 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 t -62.41 -27.09 68.86 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.753 0.821 . . . . 71.34 110.895 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.45 -50.05 66.84 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.227 1.011 . . . . 72.43 109.231 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.615 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 16.4 mm-40 -63.06 -37.11 85.9 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.729 -1.123 . . . . 74.11 110.762 177.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.447 ' O ' ' HG2' ' A' ' 42' ' ' MET . 49.7 tp -58.25 -53.17 61.26 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 124.75 1.281 . . . . 64.23 110.759 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -69.06 -29.47 67.61 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 111.807 0.299 . . . . 73.51 111.807 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -59.06 -50.55 73.66 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.32 0.387 . . . . 65.4 110.531 172.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 6.1 pt-20 -77.36 -19.0 56.88 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.954 -0.546 . . . . 44.23 111.375 -179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.697 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 83.9 mmm -66.8 -28.96 68.8 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 118.4 0.546 . . . . 74.2 110.868 170.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -38.29 88.59 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 117.331 0.06 . . . . 74.41 111.137 167.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.65 -41.23 92.82 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 120.915 0.388 . . . . 74.23 110.418 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.0 mt -77.93 -46.23 21.79 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.751 0.82 . . . . 54.42 111.561 -175.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.56 -49.89 6.06 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.262 0.625 . . . . 71.42 112.576 -171.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -78.89 -47.45 16.49 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 120.63 0.252 . . . . 65.02 110.662 -172.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -82.78 76.69 9.61 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.852 0.834 . . . . 64.34 109.437 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -80.76 86.19 6.0 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.509 -1.223 . . . . 75.12 109.284 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -136.73 130.83 32.6 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 107.574 -1.269 . . . . 71.4 107.574 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -65.28 117.42 7.81 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.889 0.475 . . . . 55.41 109.908 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -160.22 168.19 25.94 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.33 0.652 . . . . 55.11 110.659 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -100.41 122.65 43.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.272 1.029 . . . . 63.44 109.895 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.9 mt -133.2 129.69 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.716 0.807 . . . . 64.23 109.812 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.426 ' HB3' HG22 ' A' ' 29' ' ' VAL . 26.3 tp -106.66 129.5 54.55 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 108.067 -1.086 . . . . 60.33 108.067 167.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.404 ' HB ' HD23 ' A' ' 6' ' ' LEU . 48.6 mm -108.74 128.12 64.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 109.517 -0.549 . . . . 74.24 109.517 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.545 ' HG2' HG21 ' A' ' 15' ' ' ILE . 13.9 tmtt? -97.7 130.45 44.68 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 124.978 1.311 . . . . 74.25 108.207 177.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.539 ' HB3' HD11 ' A' ' 64' ' ' LEU . 46.8 t -161.5 149.8 15.5 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.317 -0.623 . . . . 63.51 109.317 172.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -115.73 10.26 15.38 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.936 0.894 . . . . 71.21 109.384 173.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -119.18 104.13 10.15 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.272 1.029 . . . . 74.44 109.408 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -58.89 -24.91 62.86 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.493 1.117 . . . . 72.34 112.224 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.538 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 16.0 mm100 -61.43 -46.05 91.75 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.824 1.25 . . . . 71.21 111.92 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.0 mt -64.91 -33.29 75.68 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 114.895 -1.048 . . . . 72.22 110.824 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD11 ' HB3' ' A' ' 58' ' ' SER . 8.5 mp -70.87 -36.94 73.03 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.764 -0.653 . . . . 54.4 110.819 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.538 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 59.2 mtpt -57.95 -55.74 31.03 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.115 0.566 . . . . 73.34 110.457 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.81 -36.97 77.86 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 124.255 0.972 . . . . 75.33 111.278 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.697 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 46.6 ttm -62.32 -52.23 64.49 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.136 -0.938 . . . . 72.44 110.378 176.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.506 HD23 HD12 ' A' ' 71' ' ' ILE . 88.1 mt -68.66 -24.82 64.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.375 1.07 . . . . 72.11 112.215 -174.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 69.8 mm-40 -61.69 -42.28 98.71 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.178 0.513 . . . . 64.43 109.999 173.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.7 mt -83.72 -27.0 29.27 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.749 0.82 . . . . 75.24 111.956 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.506 HD12 HD23 ' A' ' 68' ' ' LEU . 81.0 mt -70.69 -29.93 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.106 0.562 . . . . 74.3 110.163 173.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.7 t -58.34 -25.42 61.93 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.473 0.709 . . . . 61.31 111.677 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -74.68 -34.21 62.62 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.554 0.742 . . . . 75.4 110.16 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 71' ' ' ILE . 40.4 mt -79.43 -49.91 11.61 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.394 1.078 . . . . 54.11 111.646 -174.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.15 89.16 0.31 Allowed Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.048 -0.524 . . . . 64.54 113.122 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -161.02 173.7 14.84 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.638 0.775 . . . . 75.32 110.899 172.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -71.89 111.38 7.1 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 115.246 -0.888 . . . . 53.04 111.353 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 71' ' ' ILE . 63.6 t -112.25 124.66 69.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 107.522 -1.288 . . . . 74.0 107.522 166.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -101.33 107.27 18.58 Favored 'General case' 0 C--O 1.226 -0.169 0 N-CA-C 108.205 -1.035 . . . . 73.22 108.205 -177.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.418 HD23 HG21 ' A' ' 97' ' ' ILE . 22.7 tp -104.49 132.12 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.579 -0.526 . . . . 74.33 109.579 -177.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.417 HD21 ' HB1' ' A' ' 113' ' ' ALA . 43.0 tp -123.67 126.84 47.3 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.297 -0.865 . . . . 70.13 109.006 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.549 HD11 ' HD2' ' A' ' 93' ' ' PHE . 71.0 mt -111.37 142.26 43.84 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.202 1.001 . . . . 73.41 108.446 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -147.63 123.97 10.93 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.896 0.379 . . . . 52.45 111.089 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -178.03 155.75 0.99 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.669 1.588 . . . . 74.44 107.821 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -62.21 -39.03 91.38 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.573 0.749 . . . . 75.04 111.5 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.84 90.53 4.08 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 107.819 -1.178 . . . . 72.02 107.819 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.464 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 11.8 pt-20 -66.29 -22.77 66.3 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.926 -1.033 . . . . 73.0 111.289 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -76.31 -37.88 56.82 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 124.194 0.998 . . . . 74.11 110.972 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -49.5 77.22 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 108.179 -1.045 . . . . 74.44 108.179 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 82' ' ' LEU . 70.7 mt -69.52 -33.89 73.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.821 -1.536 . . . . 70.54 111.546 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.435 ' HG2' ' HD2' ' A' ' 95' ' ' ARG . 36.1 tt0 -61.48 -51.55 68.22 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 123.414 0.446 . . . . 71.3 109.869 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.452 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 12.0 mm-40 -54.2 -36.16 63.16 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.124 0.89 . . . . 72.45 111.756 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.549 ' HD2' HD11 ' A' ' 82' ' ' LEU . 54.2 t80 -66.98 -56.37 10.43 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.557 -0.747 . . . . 75.34 110.64 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.462 ' HG2' ' HB2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -75.21 -19.48 59.76 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.539 -0.755 . . . . 64.55 112.743 -167.624 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.435 ' HD2' ' HG2' ' A' ' 91' ' ' GLU . 63.7 mtp180 -61.55 -46.66 88.99 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.502 0.501 . . . . 74.22 109.953 175.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 1.1 mptm? -71.79 -39.85 69.63 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.692 0.797 . . . . 62.13 110.342 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.525 HG22 ' HB2' ' A' ' 102' ' ' TYR . 50.6 mm -64.64 -38.45 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.36 0.664 . . . . 63.2 110.922 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.74 -36.06 82.51 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.749 0.82 . . . . 74.4 109.572 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.8 m -70.79 -28.61 64.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.201 0.601 . . . . 62.3 111.169 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 96.4 mt-30 -74.03 -18.1 60.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.048 0.539 . . . . 72.21 110.684 175.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.26 42.01 2.29 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.426 0.454 . . . . 72.5 112.738 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.525 ' HB2' HG22 ' A' ' 97' ' ' ILE . 76.1 m-85 -117.71 138.48 51.98 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.976 0.51 . . . . 73.4 110.87 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -73.99 101.01 3.71 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 108.049 -1.093 . . . . 75.24 108.049 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.4 p -133.96 134.59 55.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-N 116.131 -0.486 . . . . 72.43 110.657 -171.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -129.07 149.62 50.81 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.546 0.738 . . . . 73.0 109.672 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.464 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.5 OUTLIER -116.55 126.23 53.01 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.89 1.276 . . . . 60.45 108.342 -179.641 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.13 175.47 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.723 0.809 . . . . 74.32 110.106 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.0 p -127.62 -34.8 2.18 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.586 0.754 . . . . 65.4 110.653 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.46 149.01 21.56 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.119 0.568 . . . . 72.44 110.366 -176.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.71 -48.04 67.67 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.071 0.948 . . . . 73.22 110.72 175.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.45 -41.06 84.26 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.179 -0.919 . . . . 52.44 111.259 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -66.22 -43.47 86.56 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.342 1.057 . . . . 74.01 110.713 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -58.33 -44.85 88.88 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.098 0.874 . . . . 55.34 111.822 -179.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.47 -34.36 77.6 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 124.099 0.874 . . . . 73.24 111.895 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -62.61 -45.83 91.06 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.798 0.686 . . . . 53.05 109.699 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.9 mm -68.59 -32.84 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.357 0.663 . . . . 73.14 111.284 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 113' ' ' ALA . 69.2 t -60.47 -50.23 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.179 0.592 . . . . 71.43 109.673 173.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 82.7 mtt180 -61.66 -33.16 73.48 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.492 -0.776 . . . . 75.21 110.363 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.13 -52.45 59.07 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 123.787 0.68 . . . . 75.54 110.444 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.413 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 14.1 m-85 -53.57 -35.2 60.53 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.927 0.891 . . . . 65.41 112.082 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.432 ' SD ' HG12 ' A' ' 22' ' ' VAL . 89.2 mtp -76.45 -21.78 55.45 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.098 0.959 . . . . 64.32 111.651 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 22.7 mm-40 -72.79 -42.07 64.31 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 109.82 -0.437 . . . . 72.43 109.82 171.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 3.0 mptp? -64.62 -40.93 96.36 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 109.471 -0.566 . . . . 71.13 109.471 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 127' ' ' LEU . . . -64.61 -37.44 87.57 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.854 0.862 . . . . 72.24 110.672 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.65 94.18 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.302 -0.863 . . . . 70.03 112.272 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.2 m -63.91 -27.58 69.25 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.422 0.689 . . . . 64.12 111.869 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 124' ' ' ALA . 69.8 mt -68.12 -40.35 82.55 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.441 0.696 . . . . 63.13 110.281 176.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -77.15 -24.72 51.56 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 114.706 -1.133 . . . . 75.43 111.127 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -72.32 81.9 1.03 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.089 -1.078 . . . . 74.51 108.089 170.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -83.35 127.24 33.51 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.354 -0.839 . . . . 70.44 109.938 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -75.28 12.53 0.92 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.591 0.757 . . . . 73.4 112.416 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -68.7 92.15 0.46 Allowed 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 108.133 -1.062 . . . . 73.43 108.133 167.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -59.62 122.34 13.86 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.335 1.054 . . . . 72.01 111.58 -174.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 . . . . . 0 CA--C 1.55 0.951 0 C-N-CA 123.89 0.876 . . . . 64.41 108.996 176.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.331 -0.618 . . . . 64.31 109.331 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -148.56 153.02 37.8 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 109.407 -0.59 . . . . 72.53 109.407 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.501 HD12 ' HG2' ' A' ' 53' ' ' LYS . 75.4 mt -92.75 115.75 32.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 C-N-CA 123.715 0.806 . . . . 70.02 109.254 174.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.778 HD21 HD13 ' A' ' 45' ' ' LEU . 11.0 mp -112.96 133.64 54.83 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.262 -1.014 . . . . 72.23 108.262 166.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.435 HG12 ' HB2' ' A' ' 79' ' ' PHE . 37.3 mt -120.77 110.55 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 107.499 -1.297 . . . . 75.23 107.499 166.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.658 HD21 ' SD ' ' A' ' 67' ' ' MET . 88.6 mt -86.74 137.82 32.13 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.571 0.748 . . . . 64.21 109.011 178.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -122.88 116.99 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 108.006 -1.109 . . . . 65.33 108.006 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.422 ' HB3' HD23 ' A' ' 82' ' ' LEU . 27.3 t30 -127.79 101.0 6.17 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.667 -1.234 . . . . 63.45 107.667 171.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.2 t -130.97 146.23 52.3 Favored 'General case' 0 C--O 1.244 0.763 0 C-N-CA 123.914 0.886 . . . . 73.21 109.845 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -62.56 -43.84 97.82 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.505 0.722 . . . . 73.23 111.228 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -91.81 114.3 26.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.09 0.556 . . . . 72.41 110.348 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.37 -31.53 71.42 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.642 1.177 . . . . 74.42 112.057 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.71 -31.68 68.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.951 0.9 . . . . 73.13 112.034 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 18' ' ' ILE . 45.6 tp -66.97 -40.07 87.38 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.496 0.719 . . . . 73.12 110.619 175.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.56 HD13 ' HG3' ' A' ' 57' ' ' LYS . 34.0 mt -62.86 -41.34 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 122.728 0.411 . . . . 54.42 110.6 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -51.37 -36.3 42.62 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.882 0.873 . . . . 72.1 111.247 177.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -77.68 -44.12 29.04 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.22 1.008 . . . . 72.22 111.114 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.487 HG12 HG21 ' A' ' 117' ' ' VAL . 74.6 mt -62.79 -29.44 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.118 0.967 . . . . 75.13 111.064 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.551 ' HG2' HG11 ' A' ' 29' ' ' VAL . 57.7 mtpt -61.13 -57.85 10.79 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.058 0.543 . . . . 73.34 109.931 174.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.73 -26.05 67.57 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.046 0.538 . . . . 75.02 111.371 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.88 -54.81 32.9 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.073 0.949 . . . . 42.52 110.083 175.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.461 HG11 HD13 ' A' ' 55' ' ' LEU . 23.2 m -76.45 -23.19 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 115.863 -0.608 . . . . 72.41 112.113 -175.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.74 -26.07 68.2 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.565 0.746 . . . . 73.33 111.722 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -60.13 -28.98 68.33 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.82 0.448 . . . . 63.14 111.447 174.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.96 18.86 20.22 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.504 0.722 . . . . 44.31 111.785 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.57 24.02 73.76 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 114.925 0.73 . . . . 74.21 114.925 169.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -77.45 142.16 39.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.99 0.424 . . . . 63.11 110.17 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -78.81 160.33 27.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.036 1.334 . . . . 74.02 108.313 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.551 HG11 ' HG2' ' A' ' 19' ' ' LYS . 23.7 t -136.55 138.97 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 118.546 0.612 . . . . 74.02 109.466 173.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -137.99 143.34 40.59 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.683 0.793 . . . . 73.1 110.359 173.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.89 116.22 28.54 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.327 1.051 . . . . 74.12 108.553 172.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.541 HG12 HD13 ' A' ' 63' ' ' LEU . 73.0 t -97.91 108.43 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.403 -1.332 . . . . 63.32 107.403 167.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -107.65 -14.94 14.7 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.626 0.77 . . . . 71.34 111.476 -169.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -153.7 165.22 36.67 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.354 0.662 . . . . 53.43 109.752 -171.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 t -66.13 -31.72 72.75 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.115 0.966 . . . . 34.32 111.424 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.9 -43.09 80.09 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 108.574 -0.899 . . . . 64.44 108.574 175.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -61.11 -34.68 75.34 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.575 0.547 . . . . 73.42 111.239 174.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 67' ' ' MET . 36.6 tp -62.02 -54.74 37.29 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 124.096 0.872 . . . . 74.4 110.256 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -69.85 -25.52 63.77 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.49 -0.323 . . . . 75.33 111.295 -176.673 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' A' ' 40' ' ' LYS . 6.9 mmpt? -59.89 -57.84 11.12 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.509 0.324 . . . . 62.25 110.372 176.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.3 pp20? -76.47 -30.63 57.37 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.946 -0.57 . . . . 74.4 111.786 -176.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.744 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 50.1 mmm -64.05 -31.38 72.55 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 117.785 0.266 . . . . 71.12 111.472 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 6.3 mptp? -71.21 -29.22 64.87 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.572 0.349 . . . . 74.34 110.473 172.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -73.14 -34.69 66.23 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 110.013 -0.366 . . . . 73.02 110.013 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.778 HD13 HD21 ' A' ' 4' ' ' LEU . 35.0 mt -75.68 -28.42 58.65 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.033 0.933 . . . . 71.33 110.325 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.54 -50.06 8.63 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 123.226 0.611 . . . . 73.33 111.98 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -74.19 -45.88 45.58 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.075 0.465 . . . . 75.15 110.412 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -102.51 74.75 1.4 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.319 -0.993 . . . . 73.54 108.319 175.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.51 ' HD3' HD22 ' A' ' 74' ' ' LEU . 26.3 ttpp -89.52 16.21 8.06 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 121.974 0.892 . . . . 75.0 110.976 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -61.61 165.88 4.64 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.509 1.124 . . . . 72.23 110.817 172.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -71.89 128.66 36.44 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 110.058 -0.349 . . . . 72.31 110.058 -177.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -161.95 145.59 12.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.416 0.687 . . . . 71.35 109.524 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.501 ' HG2' HD12 ' A' ' 3' ' ' ILE . 86.9 mttt -93.78 105.13 17.18 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.104 0.961 . . . . 60.13 108.48 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.4 mt -125.34 134.8 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.212 0.605 . . . . 72.23 109.94 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.461 HD13 HG11 ' A' ' 22' ' ' VAL . 13.5 tp -106.55 110.71 22.99 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 125.238 1.415 . . . . 73.52 107.545 173.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.516 ' HB ' HD23 ' A' ' 6' ' ' LEU . 40.3 mm -93.54 125.13 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.325 0.583 . . . . 51.03 109.884 176.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.56 ' HG3' HD13 ' A' ' 15' ' ' ILE . 77.9 tttt -93.75 144.2 25.63 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.997 1.319 . . . . 64.25 110.21 175.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.491 ' HB3' HD11 ' A' ' 64' ' ' LEU . 31.3 t -167.46 174.15 8.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.611 1.165 . . . . 54.55 108.692 168.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -143.15 16.25 1.9 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.104 0.962 . . . . 61.44 109.322 173.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -128.08 99.75 5.6 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.382 1.073 . . . . 73.13 108.996 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -59.79 -14.33 14.27 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.905 1.282 . . . . 65.2 113.983 -176.888 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.496 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . 13.2 mm100 -62.53 -51.49 67.21 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.568 -0.53 . . . . 70.12 109.568 176.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.541 HD13 HG12 ' A' ' 32' ' ' VAL . 93.4 mt -55.53 -40.29 71.65 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.322 -1.308 . . . . 72.04 111.45 177.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' A' ' 58' ' ' SER . 9.2 mp -66.28 -42.96 87.66 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.497 0.719 . . . . 42.21 111.327 -177.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.496 ' HE2' ' HA ' ' A' ' 62' ' ' GLN . 58.5 mtmt -58.16 -55.12 39.03 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 109.893 -0.41 . . . . 74.43 109.893 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.57 -35.18 78.68 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 125.025 1.453 . . . . 74.5 111.795 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.744 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 52.2 ttm -58.64 -53.76 54.7 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.805 0.842 . . . . 65.32 110.132 174.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.505 HD23 HD12 ' A' ' 71' ' ' ILE . 65.3 mt -65.0 -29.35 70.27 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.305 1.003 . . . . 74.4 111.599 -175.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 10.7 mm-40 -64.77 -34.1 77.54 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.929 0.491 . . . . 73.21 110.946 176.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.6 mt -78.9 -35.0 44.27 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.381 0.672 . . . . 63.1 110.164 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.505 HD12 HD23 ' A' ' 68' ' ' LEU . 76.9 mt -66.81 -21.32 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.115 0.966 . . . . 71.31 110.592 175.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -56.37 -37.51 70.18 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.392 0.677 . . . . 75.14 111.08 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.61 -34.15 53.49 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.28 0.632 . . . . 53.41 111.21 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.51 HD22 ' HD3' ' A' ' 49' ' ' LYS . 89.6 mt -75.1 -37.63 61.45 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.603 0.761 . . . . 74.13 111.664 -173.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.61 78.43 0.2 Allowed Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.367 -0.833 . . . . 40.21 113.689 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -152.56 161.03 43.14 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.214 0.606 . . . . 73.54 110.588 170.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' NZ ' ' HB2' ' A' ' 103' ' ' GLU . 61.8 tttp -83.17 129.31 35.01 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.346 0.658 . . . . 73.01 110.672 -175.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.13 144.26 25.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 124.502 1.121 . . . . 73.35 109.179 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.435 ' HB2' HG12 ' A' ' 5' ' ' ILE . 77.5 m-85 -115.98 109.51 17.65 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.33 1.052 . . . . 74.21 109.209 -177.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.7 tp -109.28 123.31 49.06 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.984 -0.448 . . . . 70.44 110.468 -175.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.0 tp -103.82 128.24 51.26 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 123.287 0.635 . . . . 72.24 109.468 170.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.534 ' HB3' HD22 ' A' ' 90' ' ' LEU . 73.0 mt -115.42 124.3 50.82 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 107.853 -1.166 . . . . 74.01 107.853 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.11 116.42 11.9 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 111.894 0.331 . . . . 70.43 111.894 -172.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -177.72 155.7 1.05 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.143 1.377 . . . . 75.01 109.377 173.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -59.26 -37.34 77.34 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.102 0.961 . . . . 54.0 111.393 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -77.12 88.31 3.6 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.905 -1.146 . . . . 64.42 107.905 170.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.65 -13.52 61.01 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.896 -1.047 . . . . 62.13 110.962 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -58.22 -59.8 4.76 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.133 0.973 . . . . 73.0 111.508 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.07 -43.25 86.89 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.737 0.648 . . . . 71.32 110.449 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 82' ' ' LEU . 51.4 mt -62.92 -46.8 86.1 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 124.601 1.188 . . . . 72.5 111.253 -176.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 40.8 tt0 -70.97 -44.51 65.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.048 0.539 . . . . 54.44 110.711 -174.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.54 -37.62 88.19 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.631 0.372 . . . . 42.33 110.659 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -63.16 -48.95 76.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.724 0.81 . . . . 70.14 110.828 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -68.04 -26.56 65.93 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.999 -0.546 . . . . 63.31 111.612 -170.691 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 91.3 mtt-85 -57.46 -39.79 77.1 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.424 0.69 . . . . 72.44 111.366 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.91 -41.53 67.78 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.273 0.629 . . . . 74.11 110.277 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.536 ' HB ' HG11 ' A' ' 104' ' ' VAL . 25.9 mm -69.3 -38.93 78.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 C-N-CA 123.79 0.836 . . . . 73.1 110.264 -174.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -74.03 -32.97 63.58 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.855 1.262 . . . . 44.34 110.859 -175.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.1 t -66.91 -25.45 66.38 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.504 -0.771 . . . . 53.54 110.986 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -86.55 -4.25 59.14 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.039 0.936 . . . . 64.25 111.916 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.91 -6.52 54.37 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-O 119.955 -0.359 . . . . 75.11 113.701 177.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.466 ' HB2' HG22 ' A' ' 97' ' ' ILE . 48.8 m-85 -74.18 130.47 39.83 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.531 -0.544 . . . . 62.42 109.531 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 79' ' ' PHE . 8.5 tp10 -77.88 101.98 7.06 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.136 0.574 . . . . 75.43 109.548 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.536 HG11 ' HB ' ' A' ' 97' ' ' ILE . 4.2 p -127.7 127.49 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 121.236 0.541 . . . . 73.14 111.077 -175.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -117.0 157.49 25.7 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.018 -0.992 . . . . 73.34 109.228 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.95 146.02 51.84 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.62 0.768 . . . . 71.13 109.056 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.5 m -145.95 172.05 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.258 1.023 . . . . 75.02 110.771 -174.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.6 p -118.94 -21.07 7.89 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.951 0.9 . . . . 74.01 112.209 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -121.33 159.51 25.93 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 122.662 0.385 . . . . 73.23 111.266 -170.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.02 -59.16 3.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.097 1.359 . . . . 71.24 111.827 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -22.03 61.37 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.5 0.32 . . . . 54.13 111.202 -174.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.37 -45.1 70.14 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.877 0.871 . . . . 74.31 109.868 170.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.1 -40.2 88.79 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.402 0.681 . . . . 73.32 111.234 178.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.89 -38.17 81.49 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.308 1.005 . . . . 75.22 111.685 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -60.71 -40.49 92.48 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.445 0.698 . . . . 63.4 110.466 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 32.4 mm -77.76 -29.17 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 CA-C-N 115.205 -0.907 . . . . 64.2 111.013 -175.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.487 HG21 HG12 ' A' ' 18' ' ' ILE . 86.5 t -59.44 -44.96 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 108.922 -0.77 . . . . 71.24 108.922 170.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 38.3 mtp180 -58.92 -45.74 89.63 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 124.465 1.103 . . . . 63.35 109.908 177.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.444 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 59.7 mm-40 -54.11 -53.75 48.97 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 123.92 0.762 . . . . 51.41 110.641 177.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -59.94 -36.66 77.54 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.318 0.647 . . . . 60.33 112.133 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 76.2 mtp -68.93 -34.58 75.61 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.49 0.716 . . . . 64.53 111.719 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 11.4 mm100 -75.25 -46.74 31.81 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.873 0.469 . . . . 74.12 110.316 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 14.3 mptt -66.91 -31.46 72.06 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.568 -0.742 . . . . 51.54 110.943 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.21 56.49 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.383 0.673 . . . . 75.43 110.808 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.85 -35.45 82.61 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.224 -0.351 . . . . 53.13 112.224 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.5 m -64.97 -24.36 67.49 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.4 1.08 . . . . 73.22 112.681 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.79 -25.16 67.12 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.903 0.481 . . . . 73.42 111.271 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -82.31 -75.35 0.31 Allowed 'General case' 0 C--N 1.351 0.66 0 N-CA-C 109.251 -0.648 . . . . 74.51 109.251 172.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -122.14 149.18 43.96 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.091 -1.078 . . . . 74.4 108.091 -176.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.5 m80 63.77 52.33 2.2 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 107.239 -1.393 . . . . 70.2 107.239 -160.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -75.46 82.11 2.52 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.571 -1.65 . . . . 75.11 109.193 -174.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -52.22 -41.9 63.11 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.368 1.067 . . . . 70.12 111.907 -175.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -72.18 79.29 0.97 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.829 0.852 . . . . 72.24 111.217 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 . . . . . 0 CA--C 1.553 1.059 0 N-CA-C 108.739 -0.838 . . . . 72.01 108.739 -179.886 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.84 -0.429 . . . . 63.34 109.84 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -145.66 145.23 30.84 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.938 -1.134 . . . . 62.13 107.938 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.494 HG21 ' HB1' ' A' ' 124' ' ' ALA . 66.1 mt -119.26 108.58 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.815 -0.809 . . . . 72.01 108.815 177.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.612 HD11 HD22 ' A' ' 45' ' ' LEU . 10.3 mp -99.95 141.15 33.16 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.12 0.568 . . . . 62.33 109.82 174.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.422 ' HB ' HD12 ' A' ' 55' ' ' LEU . 56.3 mt -121.63 111.38 30.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 N-CA-C 106.177 -1.786 . . . . 64.55 106.177 162.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.482 HD23 ' HB ' ' A' ' 56' ' ' ILE . 83.4 mt -88.48 130.58 35.18 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 108.667 -0.864 . . . . 73.53 108.667 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.0 mm -119.26 115.11 46.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.386 -0.968 . . . . 73.44 108.386 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.439 ' HB2' HD21 ' A' ' 64' ' ' LEU . 28.8 t-20 -124.91 102.59 7.61 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.428 -1.323 . . . . 65.02 107.428 172.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 10.2 t -129.8 144.97 51.56 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.679 -0.691 . . . . 53.53 109.829 176.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -65.16 -49.14 71.02 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 124.171 0.92 . . . . 72.22 110.424 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -80.83 101.19 9.23 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 109.38 -0.6 . . . . 71.42 109.38 176.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.98 -17.88 58.57 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.667 1.187 . . . . 73.24 111.697 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.38 -41.66 89.87 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.702 1.201 . . . . 71.12 111.11 173.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.27 -35.16 74.87 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.865 0.866 . . . . 63.53 111.606 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.586 HG21 ' HG3' ' A' ' 57' ' ' LYS . 76.0 mt -60.25 -40.99 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.494 0.718 . . . . 64.32 111.144 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -54.79 -39.73 68.73 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.334 0.588 . . . . 65.43 111.248 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 53.2 mtpt -73.55 -46.12 49.35 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 114.589 -1.187 . . . . 74.25 110.335 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.23 -36.26 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.207 1.003 . . . . 64.3 110.978 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.515 ' HG2' HG11 ' A' ' 29' ' ' VAL . 59.2 mtpt -60.7 -55.91 27.61 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 115.705 -0.679 . . . . 71.44 109.589 176.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -67.4 -21.16 65.6 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.653 -0.703 . . . . 70.25 112.328 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 16.2 mm-40 -65.48 -54.38 29.11 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.854 0.462 . . . . 64.33 110.633 168.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.58 HG11 HD13 ' A' ' 55' ' ' LEU . 28.5 m -76.67 -30.32 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 113.048 0.759 . . . . 73.44 113.048 -170.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.4 -21.34 66.66 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.349 0.66 . . . . 55.41 112.53 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -61.51 -36.34 80.25 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.854 0.462 . . . . 74.23 111.732 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -99.51 19.63 15.34 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.654 0.781 . . . . 72.03 111.904 -176.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.91 37.9 60.49 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.862 -0.608 . . . . 64.01 114.189 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.68 124.28 33.4 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 109.409 -0.589 . . . . 74.53 109.409 170.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -80.07 115.94 19.91 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.758 -0.83 . . . . 75.24 108.758 170.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.515 HG11 ' HG2' ' A' ' 19' ' ' LYS . 23.3 t -87.93 127.45 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 109.83 -0.433 . . . . 63.51 109.83 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.01 109.75 19.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.26 1.024 . . . . 62.41 108.492 -177.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -83.01 110.17 17.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.76 -0.83 . . . . 73.44 108.76 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.452 HG12 HD13 ' A' ' 63' ' ' LEU . 87.6 t -109.58 123.53 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.27 -1.011 . . . . 74.24 108.27 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.406 ' HA ' ' OD1' ' A' ' 59' ' ' ASN . 32.5 m-80 -108.75 -39.8 5.25 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.584 0.754 . . . . 73.32 110.989 -177.255 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -134.44 171.13 14.73 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.097 0.959 . . . . 74.32 109.523 -168.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.6 t -68.56 -23.52 64.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.275 0.63 . . . . 74.22 111.073 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 18.4 t70 -66.56 -50.95 61.44 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.618 0.767 . . . . 75.34 109.351 170.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 15.7 mm-40 -57.19 -35.54 69.73 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.158 0.911 . . . . 62.13 110.728 175.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' A' ' 66' ' ' GLU . 51.2 tp -64.45 -57.9 7.96 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.442 -0.799 . . . . 73.0 111.37 -178.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -63.8 -33.46 75.73 Favored 'General case' 0 C--N 1.362 1.148 0 O-C-N 123.68 0.613 . . . . 74.2 110.962 -176.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -52.16 -51.6 57.0 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.779 0.831 . . . . 73.5 110.559 170.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 20.5 mm-40 -79.19 -17.2 55.33 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.289 -0.414 . . . . 73.34 111.727 -179.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.428 ' SD ' HD12 ' A' ' 45' ' ' LEU . 94.2 mmm -71.49 -19.82 62.15 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 117.848 0.295 . . . . 75.04 111.012 172.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.86 -43.2 90.77 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 109.658 -0.497 . . . . 72.55 109.658 163.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 31.7 mmmt -70.45 -41.0 73.4 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.677 0.791 . . . . 54.32 112.257 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.612 HD22 HD11 ' A' ' 4' ' ' LEU . 66.2 mt -82.37 -41.17 20.33 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.976 0.51 . . . . 73.22 111.225 -173.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.49 -41.14 10.99 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.85 0.685 . . . . 43.21 112.85 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -93.69 -3.45 52.33 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 112.304 0.483 . . . . 63.42 112.304 -176.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 86.3 mt-10 -121.86 108.31 13.3 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.971 -0.751 . . . . 74.02 108.971 171.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.38 -0.6 43.37 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.059 0.944 . . . . 72.43 110.346 178.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.94 140.68 56.54 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.539 0.524 . . . . 73.41 110.635 175.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.601 ' HZ ' ' HG2' ' A' ' 128' ' ' GLU . 79.8 t80 -62.31 125.05 22.55 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.705 0.628 . . . . 72.11 111.771 -173.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -162.87 144.41 10.06 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 123.435 0.694 . . . . 70.13 109.923 177.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -99.5 105.03 16.89 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.595 -0.891 . . . . 53.03 108.595 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.3 mt -110.55 124.49 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.152 0.581 . . . . 53.14 109.911 -177.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.58 HD13 HG11 ' A' ' 22' ' ' VAL . 13.5 tp -84.73 105.35 15.45 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.651 -1.24 . . . . 73.35 107.651 169.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.576 HD11 HD21 ' A' ' 45' ' ' LEU . 16.4 mm -90.76 117.55 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 108.772 -0.825 . . . . 72.13 108.772 177.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.586 ' HG3' HG21 ' A' ' 15' ' ' ILE . 11.6 tmtt? -91.9 142.57 27.42 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.41 -0.959 . . . . 61.14 108.41 171.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.2 t -154.41 129.98 9.92 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 123.858 0.723 . . . . 75.21 109.488 168.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.406 ' OD1' ' HA ' ' A' ' 33' ' ' ASN . 2.8 p-10 -88.31 1.03 55.46 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.577 0.751 . . . . 63.14 111.052 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -127.59 128.99 46.5 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.195 0.598 . . . . 63.02 110.273 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -69.85 -22.71 63.25 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.524 1.13 . . . . 74.12 112.983 -176.547 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.466 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 28.8 mt-30 -70.96 -31.21 67.71 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.576 0.351 . . . . 75.13 110.693 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.452 HD13 HG12 ' A' ' 32' ' ' VAL . 44.2 mt -66.49 -34.95 79.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.532 -0.758 . . . . 62.51 110.475 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 8' ' ' ASN . 8.8 mp -63.51 -39.39 94.32 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.528 -0.76 . . . . 75.41 110.161 175.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 12.4 mmmm -66.83 -56.92 8.24 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 123.335 0.397 . . . . 70.14 111.773 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.496 ' HB2' HD21 ' A' ' 38' ' ' LEU . 35.5 mt-10 -53.81 -39.84 65.84 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 123.925 0.766 . . . . 74.53 110.5 -178.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.432 ' HB2' HD11 ' A' ' 38' ' ' LEU . 27.4 ttm -62.58 -57.33 11.48 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.828 -1.078 . . . . 50.12 110.548 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 71' ' ' ILE . 64.8 mt -65.1 -28.66 69.6 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.035 0.934 . . . . 75.34 112.814 -173.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 43.1 mm-40 -66.52 -40.44 89.15 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.15 0.5 . . . . 71.31 109.943 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.0 mt -76.78 -28.58 55.7 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.537 -0.756 . . . . 64.14 110.86 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.502 HD12 HD23 ' A' ' 68' ' ' LEU . 80.2 mt -69.0 -32.63 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.368 0.667 . . . . 54.1 110.234 175.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -60.06 -31.5 70.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.968 0.507 . . . . 73.5 110.475 175.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.78 -40.74 61.0 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.685 0.794 . . . . 52.24 111.019 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 78.7 mt -68.66 -41.09 79.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.884 0.874 . . . . 75.34 112.222 -175.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.12 74.07 0.96 Allowed Glycine 0 C--N 1.343 0.938 0 CA-C-N 115.851 -0.613 . . . . 73.03 113.857 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.419 ' CE1' HD13 ' A' ' 4' ' ' LEU . 35.3 p90 -149.99 168.41 23.91 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.48 0.712 . . . . 73.44 110.367 168.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.437 ' HD2' HD11 ' A' ' 127' ' ' LEU . 2.9 tmtp? -87.09 131.17 34.22 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.494 0.717 . . . . 74.54 109.737 -174.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.42 HG21 HG21 ' A' ' 71' ' ' ILE . 81.5 t -126.96 140.81 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.94 0.896 . . . . 74.24 110.161 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -102.64 152.07 21.62 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.774 1.229 . . . . 74.24 108.282 170.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.5 tp -140.41 136.64 33.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.146 0.579 . . . . 75.23 109.776 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.567 HD13 HG21 ' A' ' 116' ' ' ILE . 37.8 tp -128.66 117.96 22.08 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.291 1.036 . . . . 61.21 108.858 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.421 HD11 ' HD2' ' A' ' 93' ' ' PHE . 61.7 mt -101.64 134.74 44.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.737 -1.208 . . . . 24.43 107.737 174.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -146.49 111.73 5.45 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.048 0.385 . . . . 42.3 110.604 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.432 ' HB3' HD11 ' A' ' 90' ' ' LEU . 13.8 t0 -162.53 150.58 14.22 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.124 -0.695 . . . . 65.35 109.124 175.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -55.92 -43.63 77.55 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.768 1.227 . . . . 74.41 110.366 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.71 107.17 15.14 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.558 -1.275 . . . . 50.34 107.558 170.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.06 -14.07 34.58 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.478 -0.783 . . . . 72.31 111.889 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.16 -52.25 66.14 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.999 0.919 . . . . 64.15 112.392 -168.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.67 -44.81 92.68 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.349 0.405 . . . . 54.04 110.417 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 84' ' ' ASP . 80.4 mt -63.32 -28.82 70.27 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.07 -0.968 . . . . 72.35 111.282 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.14 -46.23 78.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.127 0.971 . . . . 72.44 110.498 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -69.25 -39.84 78.22 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.507 -0.769 . . . . 65.35 109.646 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.447 ' O ' HG12 ' A' ' 97' ' ' ILE . 34.1 t80 -59.34 -47.7 84.41 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 114.311 -1.313 . . . . 74.52 111.163 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -26.98 65.65 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.271 -0.422 . . . . 61.32 112.074 -177.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -66.97 -36.9 83.24 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.912 0.485 . . . . 54.13 110.211 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -64.8 -53.34 48.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.664 0.786 . . . . 71.14 110.305 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.455 HG22 ' HB2' ' A' ' 102' ' ' TYR . 32.5 mm -68.64 -35.53 70.44 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 CA-C-N 114.935 -1.029 . . . . 71.25 111.093 -171.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.17 -45.37 94.91 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.579 -0.737 . . . . 62.42 109.697 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -67.16 -27.38 67.24 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.533 -0.758 . . . . 75.02 111.031 -176.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -78.43 -6.25 54.74 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.528 0.731 . . . . 72.41 112.449 177.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.48 17.38 39.45 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 113.784 0.274 . . . . 54.25 113.784 173.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.455 ' HB2' HG22 ' A' ' 97' ' ' ILE . 68.7 m-85 -99.55 151.79 20.76 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.007 0.523 . . . . 71.21 109.853 174.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -79.8 128.17 33.11 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 108.487 -0.931 . . . . 65.01 108.487 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.9 p -141.14 134.92 31.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.317 0.579 . . . . 73.24 110.439 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -122.64 135.82 54.71 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.504 1.122 . . . . 75.33 108.112 172.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -117.4 115.33 24.99 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.63 -0.878 . . . . 53.11 108.63 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.2 m -123.58 -178.78 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 124.65 1.18 . . . . 61.3 110.06 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.2 p -128.64 -51.96 1.25 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.273 0.629 . . . . 62.11 110.06 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.94 154.07 40.7 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 112.872 0.693 . . . . 74.23 112.872 -171.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.8 -54.16 46.05 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.764 1.225 . . . . 64.22 110.437 176.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.14 -36.73 68.6 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.365 1.066 . . . . 74.44 111.39 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.535 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.0 tt0 -79.42 -33.95 42.15 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 114.258 -1.337 . . . . 75.12 110.346 -172.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -66.88 -49.07 66.82 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.707 0.403 . . . . 74.24 111.037 174.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.06 -36.54 79.88 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.665 0.786 . . . . 63.25 112.184 -176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -72.96 -26.45 61.37 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 110.42 -0.215 . . . . 73.32 110.42 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.567 HG21 HD13 ' A' ' 81' ' ' LEU . 49.3 mm -73.42 -41.45 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.549 0.339 . . . . 71.31 110.172 173.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 113' ' ' ALA . 74.5 t -56.74 -53.77 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.629 0.771 . . . . 72.23 110.975 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -62.45 -32.5 73.38 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.489 -0.778 . . . . 71.52 110.974 -176.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -74.77 -39.17 61.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.309 0.644 . . . . 74.54 111.577 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -59.33 -33.24 70.88 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.307 0.643 . . . . 60.01 111.057 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 71.3 mtp -68.02 -30.29 69.49 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.104 0.962 . . . . 65.0 111.384 176.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.34 -46.58 54.91 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.378 0.671 . . . . 73.02 110.448 176.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 13.3 mptt -69.31 -29.83 67.76 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.284 -0.416 . . . . 45.23 110.707 179.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.494 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -70.59 -35.51 73.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 122.998 0.519 . . . . 61.22 110.324 173.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.73 -34.56 90.22 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.655 -0.702 . . . . 42.25 112.477 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.1 m -64.87 -32.79 74.66 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.395 0.678 . . . . 53.12 110.518 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.518 ' HA ' ' HB2' ' A' ' 130' ' ' HIS . 97.6 mt -76.02 -21.9 56.36 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.258 0.623 . . . . 54.34 111.444 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.601 ' HG2' ' HZ ' ' A' ' 51' ' ' PHE . 28.1 mt-10 -70.06 -54.21 14.11 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.618 0.367 . . . . 64.44 110.352 176.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -90.16 19.46 5.01 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.905 -0.589 . . . . 73.43 111.503 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.518 ' HB2' ' HA ' ' A' ' 127' ' ' LEU . 4.9 t-80 -68.68 100.98 1.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.953 0.901 . . . . 71.43 108.615 174.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -82.04 63.58 6.33 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.254 1.022 . . . . 63.42 111.964 -166.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 39.8 m80 53.14 19.56 1.5 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.893 1.277 . . . . 72.34 112.781 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -121.94 116.34 24.19 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 107.904 -1.147 . . . . 74.0 107.904 -172.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 79.3 t60 . . . . . 0 CA--C 1.553 1.075 0 O-C-N 123.832 0.707 . . . . 72.4 110.891 -178.881 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 tpt . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 108.793 -0.818 . . . . 73.31 108.793 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -157.77 175.94 13.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.253 0.621 . . . . 75.3 110.287 176.413 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.464 HD12 ' HG2' ' A' ' 53' ' ' LYS . 74.2 mt -110.08 124.78 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.967 0.907 . . . . 55.03 109.343 -178.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -112.75 137.44 51.06 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.239 0.616 . . . . 75.34 109.674 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.495 ' HB ' HD12 ' A' ' 55' ' ' LEU . 30.6 mt -115.44 103.59 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 107.062 -1.459 . . . . 71.4 107.062 162.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.48 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -85.84 129.59 34.79 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.529 1.132 . . . . 72.35 108.993 -178.16 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.6 mm -123.63 120.42 59.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 C-N-CA 124.136 0.975 . . . . 74.32 109.099 -178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.585 ' HB2' HD21 ' A' ' 64' ' ' LEU . 24.9 t-20 -122.89 103.35 8.56 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.433 -1.321 . . . . 51.01 107.433 171.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.484 ' HB ' ' CG1' ' A' ' 15' ' ' ILE . 89.4 m -127.93 128.8 45.75 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.517 -1.22 . . . . 70.14 108.368 178.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -71.75 -28.76 63.86 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 123.441 0.463 . . . . 61.05 110.37 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -98.02 96.23 8.01 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.04 -1.096 . . . . 70.24 108.04 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -60.78 -26.41 67.25 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.285 1.034 . . . . 74.34 113.027 -170.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -57.06 -39.04 74.13 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.182 0.593 . . . . 61.05 111.559 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -71.4 -33.26 69.32 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.715 0.806 . . . . 63.4 110.859 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.49 HG21 ' HG3' ' A' ' 57' ' ' LYS . 49.0 mt -59.45 -46.53 92.7 Favored 'Isoleucine or valine' 0 C--N 1.365 1.271 0 N-CA-C 109.639 -0.504 . . . . 63.35 109.639 174.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 51.8 mtpt -56.39 -39.16 72.54 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 123.973 0.795 . . . . 62.11 111.081 -177.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -65.41 -44.08 88.53 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.514 0.726 . . . . 63.22 111.006 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.76 -37.37 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 C-N-CA 124.153 0.981 . . . . 72.41 111.265 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.539 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 59.8 mtpt -63.06 -40.35 97.44 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.548 0.739 . . . . 72.14 110.225 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 33.5 mmtp -66.45 -46.41 76.5 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 115.755 -0.657 . . . . 73.14 110.025 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -49.36 -53.22 23.44 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.359 1.064 . . . . 40.15 111.796 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.709 HG11 HD13 ' A' ' 55' ' ' LEU . 32.8 m -71.35 -35.05 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 115.122 -0.944 . . . . 64.55 111.593 -176.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -70.98 -19.51 62.53 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.568 0.581 . . . . 75.11 112.568 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -65.15 -26.08 68.02 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 118.072 0.396 . . . . 70.24 110.626 168.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -111.02 20.82 17.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.554 0.741 . . . . 71.43 110.954 174.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.31 31.26 71.47 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 115.811 1.085 . . . . 51.1 115.811 167.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 4.8 m-85 -78.1 139.94 39.05 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.739 0.769 . . . . 73.4 109.829 172.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -81.15 118.5 22.6 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.829 0.852 . . . . 64.01 108.774 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -97.82 133.1 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 121.869 -0.519 . . . . 74.54 109.927 -176.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 ttm-85 -134.14 114.2 12.87 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.386 1.074 . . . . 74.22 108.565 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.538 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 1.4 m-20 -97.41 139.9 32.66 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.945 0.898 . . . . 75.03 110.593 -170.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.2 t -128.23 113.54 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 107.885 -1.154 . . . . 73.2 107.885 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -102.41 -20.91 14.37 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.295 0.638 . . . . 74.41 110.115 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -146.13 160.36 42.04 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.922 0.489 . . . . 71.14 111.751 -171.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 m -56.76 -33.44 66.59 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.513 1.525 . . . . 62.24 113.185 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 23.7 t70 -60.04 -51.1 71.09 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.874 0.87 . . . . 61.0 109.97 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 50.0 mt-10 -65.94 -33.15 75.15 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.137 -0.938 . . . . 73.22 110.539 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' A' ' 63' ' ' LEU . 50.5 tp -55.06 -59.15 5.15 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.079 0.552 . . . . 75.11 110.839 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -33.47 75.88 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.853 0.721 . . . . 71.22 111.407 -176.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 9.9 mtmp? -61.21 -52.68 63.76 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.295 0.372 . . . . 75.55 111.53 174.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 4.2 mm-40 -72.25 -27.88 62.78 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.809 -0.178 . . . . 75.43 110.628 -174.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.564 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 90.0 mmm -67.74 -34.78 77.51 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.655 0.382 . . . . 64.11 110.864 175.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -42.44 99.44 Favored 'General case' 0 C--O 1.209 -1.075 0 N-CA-C 109.516 -0.55 . . . . 73.02 109.516 170.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HA ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -59.77 -38.99 83.37 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.597 0.359 . . . . 74.43 111.508 178.238 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 80.2 mt -74.74 -26.86 60.08 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.557 0.743 . . . . 75.11 111.651 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.99 -38.08 15.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.762 0.825 . . . . 72.43 112.785 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -77.54 -56.97 4.08 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.791 0.836 . . . . 75.2 109.469 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -74.72 125.59 29.06 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 108.254 -1.017 . . . . 72.34 108.254 176.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -104.05 -1.02 28.04 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.556 0.742 . . . . 73.12 110.035 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -59.23 139.62 56.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.356 1.462 . . . . 73.42 112.474 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -77.32 122.3 24.93 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.758 0.823 . . . . 70.45 109.747 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 10.9 tp10 -160.35 137.53 9.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.583 0.753 . . . . 74.5 109.549 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HG2' HD12 ' A' ' 3' ' ' ILE . 34.0 mtmm -88.56 94.96 10.05 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.828 -0.804 . . . . 74.13 108.828 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.0 mt -103.33 122.55 55.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 115.314 -0.857 . . . . 74.03 110.09 -176.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.709 HD13 HG11 ' A' ' 22' ' ' VAL . 10.4 tp -79.72 109.23 13.93 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 107.723 -1.214 . . . . 62.1 107.723 169.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.8 mm -90.0 114.38 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 108.614 -0.884 . . . . 73.1 108.614 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.538 ' HB3' ' HA ' ' A' ' 31' ' ' ASP . 1.4 tmtp? -91.17 135.9 33.46 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.648 -1.241 . . . . 64.14 107.648 169.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.3 t -150.33 117.12 5.85 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.291 -1.003 . . . . 52.14 108.291 172.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -70.99 -43.5 67.87 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.854 0.862 . . . . 61.31 111.158 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -95.86 126.99 41.5 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.12 -0.491 . . . . 75.31 110.849 -171.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -59.58 -28.62 67.31 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.842 1.657 . . . . 55.22 112.9 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -57.45 -47.51 81.63 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.661 0.785 . . . . 72.3 109.832 176.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.451 ' HB3' HD13 ' A' ' 38' ' ' LEU . 49.7 mt -60.26 -36.61 78.18 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 113.813 -1.539 . . . . 64.42 110.988 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' A' ' 8' ' ' ASN . 7.9 mp -66.72 -46.2 76.26 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.902 0.751 . . . . 70.4 111.798 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -56.58 -53.77 53.66 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.905 0.753 . . . . 72.01 109.965 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.79 -40.27 87.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.47 1.108 . . . . 75.31 111.385 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.564 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 38.5 ttm -61.53 -52.47 64.34 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.483 1.113 . . . . 75.22 110.123 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.564 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 44.9 mt -70.64 -29.56 65.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.287 1.035 . . . . 65.34 112.069 -172.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.91 -33.71 76.67 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.267 0.627 . . . . 74.4 110.969 173.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.9 mt -82.56 -31.75 28.91 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.515 0.726 . . . . 64.11 110.834 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.564 ' HB ' ' HA ' ' A' ' 68' ' ' LEU . 39.9 mt -65.47 -26.01 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.421 1.088 . . . . 73.13 110.309 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 t -61.5 -27.0 68.28 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.308 0.643 . . . . 74.43 111.795 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -83.25 -37.21 23.83 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.258 0.623 . . . . 73.33 110.671 172.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.79 -33.57 75.07 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.413 0.685 . . . . 75.45 112.178 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.79 64.95 3.64 Favored Glycine 0 C--N 1.349 1.261 0 N-CA-C 114.339 0.496 . . . . 51.24 114.339 173.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.67 170.88 14.94 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.854 0.461 . . . . 71.43 110.907 175.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HG2' HD11 ' A' ' 127' ' ' LEU . 54.0 tptt -76.45 127.05 32.09 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.656 -0.702 . . . . 73.3 110.597 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.436 HG11 HD21 ' A' ' 68' ' ' LEU . 58.0 t -122.29 133.08 69.64 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 123.848 0.859 . . . . 74.0 109.076 173.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.52 107.42 17.06 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 107.592 -1.262 . . . . 61.02 107.592 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 6' ' ' LEU . 22.8 tp -107.41 130.94 54.75 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.348 0.522 . . . . 73.4 111.062 -173.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 116' ' ' ILE . 32.2 tp -119.29 134.31 55.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.001 0.92 . . . . 71.3 109.507 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.523 ' HB3' HD22 ' A' ' 90' ' ' LEU . 74.2 mt -119.18 94.03 4.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.299 1.04 . . . . 70.12 109.038 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.98 110.97 22.83 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.967 0.507 . . . . 73.41 111.94 -175.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.444 ' HB3' HD11 ' A' ' 90' ' ' LEU . 24.1 t70 -165.55 156.74 14.06 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.467 0.707 . . . . 74.33 110.637 173.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.466 ' HA ' HG23 ' A' ' 108' ' ' THR . 97.3 mt-30 -58.12 -41.23 83.18 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.007 1.323 . . . . 65.33 111.763 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.48 101.61 7.42 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 108.415 -0.957 . . . . 73.2 108.415 169.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -83.68 -15.98 46.75 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.031 -0.986 . . . . 75.5 111.294 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -62.76 -57.52 10.63 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.419 1.088 . . . . 75.51 112.504 -168.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.2 -39.63 86.35 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.133 0.573 . . . . 63.1 111.043 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 82' ' ' LEU . 97.1 mt -65.14 -30.79 71.75 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.562 -0.744 . . . . 72.51 111.376 178.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.99 -37.29 84.29 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.886 0.875 . . . . 64.44 110.274 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -77.29 -44.51 29.43 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.867 -1.061 . . . . 74.41 109.955 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.47 -48.41 65.91 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.717 1.207 . . . . 72.2 111.185 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -61.72 -31.41 71.56 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.859 0.724 . . . . 71.33 112.004 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.33 -35.24 79.01 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.524 0.73 . . . . 63.34 111.754 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -65.03 -53.24 49.1 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 123.991 0.807 . . . . 72.12 108.948 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.588 HG22 ' HB2' ' A' ' 102' ' ' TYR . 24.1 mm -65.11 -37.65 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 115.259 -0.882 . . . . 62.43 111.031 -172.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.44 -35.75 71.02 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.416 -0.811 . . . . 74.51 110.742 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -73.3 -26.66 61.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.3 0.64 . . . . 71.22 110.637 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -75.99 -10.41 59.4 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.641 0.776 . . . . 75.23 111.204 174.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.14 43.29 3.3 Favored Glycine 0 C--N 1.355 1.608 0 O-C-N 123.347 0.404 . . . . 73.11 113.029 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.588 ' HB2' HG22 ' A' ' 97' ' ' ILE . 84.9 m-85 -125.21 155.27 40.29 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.113 0.565 . . . . 73.44 109.86 175.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -89.37 110.74 21.51 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.375 -0.972 . . . . 73.11 108.375 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.477 HG11 ' HB ' ' A' ' 97' ' ' ILE . 2.6 p -138.04 125.39 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 123.207 0.603 . . . . 70.21 111.272 -175.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -109.81 158.56 18.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.465 1.106 . . . . 64.14 109.442 172.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -129.27 127.84 42.0 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.24 1.016 . . . . 74.14 108.404 179.01 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.417 HG22 HD11 ' A' ' 81' ' ' LEU . 28.9 m -132.12 178.73 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.709 0.804 . . . . 74.41 110.946 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 85' ' ' GLN . 85.5 m -144.75 -30.03 0.45 Allowed 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 114.269 -1.332 . . . . 72.44 110.487 -174.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 112' ' ' GLU . 12.4 t70 -94.74 157.38 15.97 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 124.218 1.007 . . . . 74.22 110.815 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.06 -59.47 3.01 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.195 1.398 . . . . 42.34 111.906 -174.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.04 -26.09 62.94 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.927 0.394 . . . . 71.33 110.122 -176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.534 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -66.21 -36.14 82.28 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 124.108 0.963 . . . . 74.43 110.127 174.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -66.85 -43.77 82.77 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.088 0.155 . . . . 42.14 111.354 172.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -39.18 92.54 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.774 0.829 . . . . 74.04 111.907 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -69.82 -36.66 75.82 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.378 0.271 . . . . 71.1 110.761 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.68 HG21 HD13 ' A' ' 81' ' ' LEU . 44.4 mm -62.67 -42.1 94.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 123.421 0.688 . . . . 72.13 111.04 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 113' ' ' ALA . 99.7 t -60.26 -45.33 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 123.958 0.786 . . . . 72.35 110.437 177.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.91 -38.27 90.46 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.272 0.629 . . . . 73.24 111.233 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.56 -44.49 82.18 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.823 0.702 . . . . 74.03 110.569 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -54.98 -41.43 71.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.021 0.928 . . . . 64.4 111.309 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 75.8 mtp -65.33 -29.18 69.9 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.079 -0.964 . . . . 75.41 111.545 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -66.11 -45.82 79.79 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.642 0.377 . . . . 62.23 110.542 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -28.1 64.96 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.56 0.344 . . . . 74.3 110.554 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.52 78.92 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.347 0.659 . . . . 65.22 110.403 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.73 -24.78 76.14 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-N 115.286 -0.87 . . . . 72.03 112.424 175.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.3 t -71.36 -22.58 61.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.782 0.833 . . . . 71.21 110.776 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.45 HD11 ' HG2' ' A' ' 77' ' ' LYS . 54.9 mt -86.97 -33.22 19.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.566 0.747 . . . . 62.41 110.304 175.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -71.87 -14.48 61.96 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.113 0.965 . . . . 70.22 111.029 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -42.0 134.21 2.76 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.553 1.141 . . . . 72.32 109.859 168.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -33.12 89.69 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 O-C-N 125.471 1.732 . . . . 73.12 113.246 -165.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -107.66 117.37 33.94 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 113.394 -1.73 . . . . 71.21 108.051 -170.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -64.65 114.42 4.4 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 108.929 -0.767 . . . . 73.0 108.929 173.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -141.83 169.52 17.44 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.274 -0.639 . . . . 63.25 109.274 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 . . . . . 0 CA--C 1.556 1.189 0 CA-C-O 118.986 -0.531 . . . . 73.43 110.657 177.755 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 121.494 0.664 . . . . 63.15 109.797 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 50' ' ' ASN . 28.8 tptt -90.25 109.39 20.48 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 107.915 -1.142 . . . . 61.21 107.915 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.459 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 70.6 mt -94.55 105.07 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 109.333 -0.617 . . . . 74.32 109.333 -178.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mp -101.99 136.33 42.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.412 0.685 . . . . 72.21 109.425 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 59.2 mt -114.69 111.26 35.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 107.266 -1.383 . . . . 60.2 107.266 166.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.527 ' HB3' HD23 ' A' ' 64' ' ' LEU . 65.6 mt -89.98 123.78 34.18 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.298 -0.63 . . . . 74.05 109.298 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.421 HG13 HG21 ' A' ' 18' ' ' ILE . 47.9 mm -115.37 115.17 48.55 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 C-N-CA 123.544 0.738 . . . . 72.44 109.295 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -117.09 101.66 8.67 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.922 -1.14 . . . . 74.24 107.922 168.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.521 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.4 t -132.23 136.61 47.12 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.054 0.454 . . . . 64.32 110.341 168.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -71.26 -19.02 62.4 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 114.871 -1.059 . . . . 63.42 110.319 175.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -89.85 106.83 18.73 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.524 1.13 . . . . 75.33 109.906 -175.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.08 -34.71 78.66 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.385 0.674 . . . . 53.1 111.831 -178.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 41.9 mt-10 -65.35 -36.04 82.82 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.182 0.593 . . . . 74.02 110.8 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' ' 113' ' ' ALA . 26.6 tp -71.63 -37.75 70.86 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.05 -0.523 . . . . 64.53 110.497 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.92 -48.95 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.018 0.527 . . . . 72.54 109.896 173.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 28.4 mtpp -53.36 -45.25 69.11 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.391 1.076 . . . . 72.22 111.861 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.569 ' HE2' HD11 ' A' ' 114' ' ' LEU . 58.0 mtpt -70.42 -36.59 74.09 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.893 -0.594 . . . . 70.03 111.684 -176.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.421 HG21 HG13 ' A' ' 7' ' ' ILE . 88.7 mt -69.55 -31.52 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 123.114 0.566 . . . . 52.12 110.584 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 2.1 mptm? -58.96 -52.96 63.52 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.433 -0.58 . . . . 75.32 109.433 169.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -56.72 -36.72 70.03 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.908 0.755 . . . . 73.23 111.607 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.66 -51.83 67.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.161 0.585 . . . . 72.52 111.58 173.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.581 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 9.2 m -75.36 -20.16 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 112.403 0.52 . . . . 64.41 112.403 -175.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 20.0 mm-40 -67.74 -42.69 81.45 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.125 0.57 . . . . 75.51 109.995 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -61.29 -27.59 68.58 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 114.776 -1.102 . . . . 74.45 111.457 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -96.56 -14.49 22.21 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.867 0.867 . . . . 64.43 112.185 -176.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.97 29.65 33.85 Favored Glycine 0 C--N 1.346 1.103 0 N-CA-C 114.2 0.44 . . . . 65.32 114.2 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.581 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 1.9 m-85 -81.36 150.72 28.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.172 0.589 . . . . 74.43 109.821 171.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.75 157.91 25.67 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.231 -1.026 . . . . 64.35 108.231 170.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.4 t -130.97 111.1 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 122.91 0.484 . . . . 64.13 109.789 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.51 ' HG2' ' HG3' ' A' ' 41' ' ' GLU . 14.5 tpt180 -104.7 120.8 42.19 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.286 -0.635 . . . . 60.41 109.286 169.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.99 120.61 31.34 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.794 0.838 . . . . 74.42 109.149 171.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.483 HG13 ' HB2' ' A' ' 37' ' ' GLU . 98.4 t -109.82 130.35 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.414 1.085 . . . . 51.04 108.593 177.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -109.46 -52.37 2.78 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.753 0.821 . . . . 71.51 108.787 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -111.08 160.35 16.96 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 114.789 -1.096 . . . . 72.34 111.334 -171.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.7 m -58.99 -26.83 64.84 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.216 1.406 . . . . 63.34 112.453 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 4.5 t70 -56.76 -56.3 23.2 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.8 0.84 . . . . 73.0 110.874 172.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 34.0 mt-10 -60.2 -36.59 78.01 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.794 -0.639 . . . . 75.44 110.897 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.402 HD22 HD22 ' A' ' 63' ' ' LEU . 58.8 tp -55.32 -61.49 2.3 Favored 'General case' 0 C--O 1.246 0.911 0 O-C-N 124.172 0.92 . . . . 74.13 111.181 176.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.493 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.85 -32.02 73.52 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 123.485 0.491 . . . . 73.45 112.009 -174.425 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 8.9 mtmp? -57.59 -50.65 72.42 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.478 0.311 . . . . 74.11 110.76 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.51 ' HG3' ' HG2' ' A' ' 30' ' ' ARG . 14.3 mm-40 -66.62 -37.42 84.83 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.112 0.882 . . . . 71.44 110.251 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 mmt -61.17 -40.74 95.02 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.142 0.577 . . . . 75.43 111.916 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 5.5 mptp? -62.41 -46.28 89.32 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 109.548 -0.538 . . . . 74.32 109.548 173.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HA ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -61.75 -35.73 78.94 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.15 0.58 . . . . 71.31 111.876 -178.291 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 89.8 mt -73.84 -33.92 64.31 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.474 0.31 . . . . 44.32 110.297 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.54 -42.45 67.88 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.861 0.464 . . . . 73.14 111.948 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -80.58 -52.36 7.68 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.811 0.844 . . . . 73.1 111.756 -172.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -75.91 170.2 16.69 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.334 0.654 . . . . 62.4 111.427 -174.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -64.39 115.08 4.75 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.276 1.03 . . . . 73.44 110.008 -171.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.439 ' HA ' ' HD3' ' A' ' 2' ' ' LYS . 5.2 t-20 -82.01 27.38 0.47 Allowed 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 124.206 1.002 . . . . 74.02 113.101 -162.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -115.22 112.27 22.23 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.487 -0.758 . . . . 74.32 109.662 160.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -172.46 153.77 2.99 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.197 1.399 . . . . 74.44 109.302 166.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 37.1 mtmm -103.77 110.13 22.11 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.3 -0.864 . . . . 74.5 109.132 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 55.7 mt -127.96 126.75 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.681 0.792 . . . . 75.1 110.1 -174.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.534 HD13 HG11 ' A' ' 22' ' ' VAL . 19.8 tp -79.15 124.81 28.68 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.097 0.959 . . . . 34.31 108.796 166.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.4 mm -109.57 115.16 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 108.483 -0.932 . . . . 70.24 108.483 170.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -90.76 140.8 29.44 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.053 -1.091 . . . . 55.13 108.053 171.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.627 ' HB3' HD11 ' A' ' 64' ' ' LEU . 29.6 t -164.58 117.93 1.33 Allowed 'General case' 0 C--O 1.241 0.612 0 N-CA-C 108.235 -1.024 . . . . 72.04 108.235 168.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -76.18 -11.69 59.97 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.643 0.777 . . . . 51.4 111.781 -177.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -97.15 114.7 26.42 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 108.774 -0.824 . . . . 64.14 108.774 170.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.545 ' HA ' HD13 ' A' ' 64' ' ' LEU . 4.3 pttp -76.94 -20.81 55.71 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.531 0.732 . . . . 74.11 112.826 -173.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -63.6 -40.24 96.42 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.316 0.507 . . . . 74.05 109.633 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.402 HD22 HD22 ' A' ' 38' ' ' LEU . 88.5 mt -55.75 -34.29 65.07 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 124.153 0.908 . . . . 70.55 111.897 176.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.3 mp -74.81 -42.09 58.71 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.189 0.596 . . . . 73.25 111.314 -177.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -67.72 -43.51 79.85 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 122.558 0.343 . . . . 75.1 110.103 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.12 -37.75 83.91 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 114.947 -1.024 . . . . 71.12 110.56 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.444 ' SD ' HD21 ' A' ' 6' ' ' LEU . 33.3 ttm -62.21 -44.9 95.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.86 0.864 . . . . 71.13 110.011 177.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.99 -28.33 69.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.962 0.905 . . . . 74.12 111.725 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.45 -24.39 60.22 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.476 0.71 . . . . 73.35 111.091 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.8 mt -84.91 -35.02 22.4 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.255 0.622 . . . . 62.32 110.256 172.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.597 HD13 HG21 ' A' ' 78' ' ' VAL . 84.5 mt -71.14 -29.21 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 124.913 1.285 . . . . 72.31 111.392 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.9 p -59.69 -30.48 68.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.055 0.542 . . . . 53.1 111.101 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -82.01 -32.09 30.7 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.527 0.731 . . . . 73.13 110.798 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.8 mt -75.27 -47.6 27.25 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.51 0.724 . . . . 71.41 111.12 -177.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.79 71.77 1.23 Allowed Glycine 0 C--N 1.342 0.886 0 CA-C-N 115.907 -0.588 . . . . 52.32 113.606 173.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -152.95 166.99 30.65 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.45 0.537 . . . . 73.05 112.45 172.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 77' ' ' LYS . 11.3 mmpt? -82.29 130.12 35.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.586 1.154 . . . . 73.14 111.066 -175.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.597 HG21 HD13 ' A' ' 71' ' ' ILE . 48.6 t -131.34 134.49 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.823 0.849 . . . . 64.11 109.698 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -114.66 109.43 18.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.32 1.048 . . . . 74.1 108.867 -175.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.7 tp -99.15 139.67 34.46 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.625 0.77 . . . . 74.41 111.287 -174.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.519 HD13 HG21 ' A' ' 116' ' ' ILE . 45.3 tp -132.61 126.19 32.16 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.697 1.199 . . . . 72.04 108.994 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.59 ' HB3' HD22 ' A' ' 90' ' ' LEU . 91.9 mt -114.97 130.33 56.91 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.958 1.303 . . . . 72.04 108.702 -178.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.521 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -148.19 111.74 5.01 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.615 0.643 . . . . 64.55 111.475 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.507 ' HB3' HD11 ' A' ' 90' ' ' LEU . 11.6 t0 -164.56 153.93 13.45 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.012 0.925 . . . . 62.32 108.924 -178.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -59.69 -36.92 77.47 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.197 0.999 . . . . 73.12 110.878 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -82.5 81.66 8.23 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.956 0.884 . . . . 71.54 108.776 175.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.61 -14.18 59.71 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.569 -1.196 . . . . 75.51 111.622 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -65.21 -55.62 17.48 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.286 1.035 . . . . 61.21 111.214 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -70.62 -31.51 68.5 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.202 -0.454 . . . . 73.3 110.121 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 82' ' ' LEU . 59.1 mt -60.03 -42.19 93.88 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.374 0.421 . . . . 65.44 111.143 171.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -66.63 -43.12 85.57 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.09 0.556 . . . . 71.11 110.187 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.49 ' HA ' ' HD3' ' A' ' 95' ' ' ARG . 0.4 OUTLIER -68.34 -35.87 78.41 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.857 -0.61 . . . . 62.43 110.134 179.762 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -68.52 -46.71 68.86 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.309 -0.86 . . . . 74.14 111.302 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.63 -26.04 67.64 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.742 0.417 . . . . 71.24 111.789 -177.05 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.49 ' HD3' ' HA ' ' A' ' 92' ' ' GLU . 41.7 mtp85 -60.5 -39.24 87.03 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.718 0.807 . . . . 74.21 111.33 173.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.56 -27.78 60.65 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.49 0.716 . . . . 62.11 110.905 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.6 mm -74.52 -34.73 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-O 121.311 0.576 . . . . 74.32 109.692 176.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.91 -35.42 81.1 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.982 -1.008 . . . . 64.42 110.253 171.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -70.76 -31.56 68.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.462 0.705 . . . . 64.15 110.767 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -76.32 -19.71 57.97 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.38 0.672 . . . . 73.52 110.479 172.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.86 40.66 16.68 Favored Glycine 0 C--N 1.348 1.237 0 CA-C-N 116.103 -0.499 . . . . 64.42 113.557 173.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.72 157.09 18.86 Favored 'General case' 0 C--O 1.246 0.882 0 C-N-CA 123.429 0.692 . . . . 75.02 109.594 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.51 123.33 19.36 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 108.599 -0.889 . . . . 75.52 108.599 171.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.43 137.08 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.348 0.659 . . . . 75.52 110.318 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -131.34 130.64 42.94 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.524 0.73 . . . . 71.45 110.146 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.41 117.82 35.55 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.119 -1.437 . . . . 75.34 107.119 173.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.58 158.32 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.127 0.971 . . . . 63.43 109.671 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.8 p -134.33 0.78 3.11 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.297 0.639 . . . . 62.23 111.436 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -117.35 147.02 43.0 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 108.898 -0.778 . . . . 62.11 108.898 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.05 -39.64 79.02 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.396 0.435 . . . . 60.45 110.663 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.41 -37.5 87.54 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.134 0.574 . . . . 73.44 110.541 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.561 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -72.33 -32.27 66.37 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.098 -0.955 . . . . 65.41 109.775 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.406 ' HB3' HD11 ' A' ' 14' ' ' LEU . . . -67.88 -44.16 77.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.58 0.352 . . . . 43.42 111.33 173.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.569 HD11 ' HE2' ' A' ' 17' ' ' LYS . 95.1 mt -60.24 -45.21 94.04 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.684 0.615 . . . . 75.21 111.754 -178.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -63.29 -35.71 81.28 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 123.442 0.464 . . . . 72.52 110.38 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 112' ' ' GLU . 47.8 mm -66.94 -40.02 84.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 123.297 0.639 . . . . 74.31 110.859 177.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.448 ' O ' ' HG2' ' A' ' 121' ' ' MET . 93.2 t -62.72 -39.62 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.034 0.534 . . . . 72.1 110.262 176.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 21.1 mtp180 -64.46 -39.96 94.8 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.791 0.837 . . . . 65.42 111.0 178.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.475 ' HB3' ' NZ ' ' A' ' 123' ' ' LYS . 41.6 mt-10 -71.42 -35.4 70.97 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.407 -0.815 . . . . 75.1 111.032 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -61.42 -28.61 69.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.908 0.883 . . . . 75.43 111.088 175.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 25.3 mmt -71.25 -33.17 69.57 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.137 0.575 . . . . 74.12 110.939 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.57 -42.71 58.26 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 109.327 -0.62 . . . . 72.31 109.327 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.475 ' NZ ' ' HB3' ' A' ' 119' ' ' GLU . 57.4 mttp -64.85 -40.19 94.76 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.45 -1.25 . . . . 70.22 110.673 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.452 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -69.22 -37.65 78.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.703 0.801 . . . . 51.42 110.452 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -68.0 -25.68 74.26 Favored Glycine 0 C--N 1.351 1.413 0 CA-C-N 115.427 -0.806 . . . . 44.13 112.955 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.457 ' HA ' ' HB2' ' A' ' 130' ' ' HIS . 50.5 m -65.02 -32.93 74.89 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.566 0.747 . . . . 63.13 111.017 176.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 37.8 mt -74.76 -38.68 62.13 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.265 1.026 . . . . 70.51 111.896 -173.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.19 -75.29 0.12 Allowed 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.403 -0.817 . . . . 72.24 112.268 -170.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -154.96 32.82 0.39 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 121.12 0.486 . . . . 64.14 109.847 -168.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.457 ' HB2' ' HA ' ' A' ' 126' ' ' SER . 22.6 t-80 -62.21 -25.58 67.88 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.74 0.816 . . . . 75.52 111.719 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -71.48 79.05 0.78 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.027 0.531 . . . . 62.31 109.687 170.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -81.46 87.45 6.2 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 121.71 0.767 . . . . 75.52 109.921 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -153.55 -11.2 0.15 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.95 0.9 . . . . 74.33 110.548 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 24.1 t60 . . . . . 0 C--O 1.25 1.109 0 N-CA-C 106.433 -1.691 . . . . 72.51 106.433 -176.332 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.902 0.382 . . . . 74.54 110.071 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 27.8 mtpp -131.06 151.76 51.09 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.408 -1.33 . . . . 73.42 107.408 172.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.484 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 65.5 mt -111.35 104.07 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 108.093 -1.077 . . . . 74.11 108.093 174.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.473 HD21 HD13 ' A' ' 45' ' ' LEU . 10.6 mp -113.8 123.48 49.92 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 109.376 -0.602 . . . . 73.24 109.376 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.9 mt -99.6 109.74 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 107.935 -1.135 . . . . 75.02 107.935 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.468 HD11 ' SD ' ' A' ' 67' ' ' MET . 0.4 OUTLIER -87.42 123.34 32.25 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.985 -1.007 . . . . 61.32 108.487 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.9 mm -115.97 129.45 72.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 109.13 -0.692 . . . . 61.41 109.13 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.495 ' HB2' HD21 ' A' ' 64' ' ' LEU . 55.0 t-20 -135.4 104.47 5.86 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 107.202 -1.407 . . . . 54.15 107.202 169.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.493 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.6 t -128.42 142.83 50.98 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.535 -0.757 . . . . 74.05 110.273 172.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -72.94 -24.02 60.75 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.811 -1.086 . . . . 73.53 110.263 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -83.92 106.57 15.7 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.744 -0.835 . . . . 72.04 108.744 -178.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.75 -35.45 81.12 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.614 0.766 . . . . 63.24 111.488 -175.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 42.6 mt-10 -72.92 -30.56 64.0 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.727 -0.669 . . . . 73.51 110.582 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.423 HD23 ' OG1' ' A' ' 9' ' ' THR . 32.6 tp -66.3 -35.42 80.34 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.92 0.488 . . . . 71.21 110.181 174.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.432 HG21 ' HE3' ' A' ' 57' ' ' LYS . 88.8 mt -56.35 -50.56 71.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 123.459 0.474 . . . . 71.22 109.797 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -53.32 -38.87 63.59 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 124.431 1.082 . . . . 70.44 111.025 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 28.3 mtpp -72.24 -50.73 25.1 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.891 0.876 . . . . 74.04 111.106 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.401 HG23 HG21 ' A' ' 117' ' ' VAL . 76.7 mt -60.33 -34.76 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.961 0.904 . . . . 64.41 111.245 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HE3' HG11 ' A' ' 29' ' ' VAL . 60.1 mtpt -59.43 -51.01 71.73 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 123.242 0.617 . . . . 54.15 109.746 173.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -65.42 -28.55 69.33 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.307 0.643 . . . . 74.13 112.193 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.52 -54.04 45.85 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.293 0.637 . . . . 73.2 110.331 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.709 HG11 HD13 ' A' ' 55' ' ' LEU . 18.8 m -76.45 -29.78 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 116.175 -0.466 . . . . 64.52 111.823 -173.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -61.94 -40.57 95.97 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.544 0.737 . . . . 71.23 109.815 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.77 -37.51 86.94 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.1 -0.954 . . . . 63.11 110.848 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -81.61 -12.68 58.64 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.475 0.71 . . . . 50.15 111.78 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.29 38.21 5.14 Favored Glycine 0 C--N 1.351 1.376 0 N-CA-C 114.264 0.466 . . . . 54.1 114.264 173.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.461 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 7.1 m-85 -101.87 144.32 30.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.84 0.856 . . . . 72.23 110.289 176.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -79.75 113.41 17.88 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.484 -0.932 . . . . 72.42 108.484 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.573 HG11 ' HE3' ' A' ' 19' ' ' LYS . 45.2 t -79.98 119.15 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 109.358 -0.608 . . . . 64.34 109.358 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -122.03 133.22 54.8 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.462 1.105 . . . . 63.41 108.05 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -111.95 116.51 30.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.119 0.968 . . . . 43.14 111.979 -163.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.407 HG12 HD13 ' A' ' 63' ' ' LEU . 22.4 t -105.96 121.27 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.832 0.853 . . . . 60.22 109.126 171.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -113.61 -25.74 8.58 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.029 0.532 . . . . 63.32 111.573 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.467 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 26.7 t70 -141.26 168.05 20.71 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 122.695 0.398 . . . . 73.32 110.965 -167.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.5 t -68.13 -37.11 80.73 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.525 1.13 . . . . 75.32 111.601 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.96 -50.42 64.39 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.873 -0.788 . . . . 75.44 108.873 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.467 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 67.2 mm-40 -51.57 -44.76 62.86 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 124.285 0.99 . . . . 74.33 110.333 176.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.1 tp -55.35 -61.92 2.02 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.767 1.292 . . . . 64.51 111.012 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -33.38 75.79 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.368 0.417 . . . . 74.31 111.806 -172.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 11.2 mmmm -59.65 -63.52 1.27 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.324 0.649 . . . . 73.42 110.157 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.7 pt-20 -75.12 -24.6 58.07 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.896 -0.593 . . . . 54.35 112.246 -172.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.708 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 12.0 mtp -72.06 -41.69 67.1 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.005 0.522 . . . . 75.41 111.838 178.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.52 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 11.6 mtpp -68.45 -24.34 64.71 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.959 -0.543 . . . . 74.54 110.52 176.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -70.65 -31.06 67.86 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 110.129 -0.322 . . . . 74.22 110.129 171.02 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.473 HD13 HD21 ' A' ' 4' ' ' LEU . 94.0 mt -73.08 -34.5 66.26 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.241 0.617 . . . . 74.55 110.957 176.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.71 -31.07 63.21 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.366 -0.833 . . . . 31.01 110.925 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 44.4 mt-10 -77.16 -61.26 2.04 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.176 -0.676 . . . . 72.44 109.176 172.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -87.8 83.98 7.08 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.791 1.236 . . . . 64.2 109.549 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HA ' ' HD2' ' A' ' 2' ' ' LYS . 10.2 mtmp? -89.89 22.61 3.08 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 114.794 -1.094 . . . . 70.14 111.443 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -50.66 133.57 25.51 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.996 1.319 . . . . 51.42 111.354 175.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -63.4 93.73 0.07 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.47 -0.937 . . . . 64.31 108.47 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -141.19 138.24 33.22 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 114.915 -1.039 . . . . 63.23 108.935 -172.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 52.8 mtmt -95.15 98.66 10.8 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.933 0.893 . . . . 75.22 109.442 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.7 mt -112.44 126.29 69.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 123.885 0.874 . . . . 74.41 109.46 -173.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.709 HD13 HG11 ' A' ' 22' ' ' VAL . 15.6 tp -79.93 107.44 12.71 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 107.957 -1.127 . . . . 64.33 107.957 167.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.2 mm -90.6 105.69 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 107.507 -1.294 . . . . 72.24 107.507 173.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HE3' HG21 ' A' ' 15' ' ' ILE . 12.8 tmtt? -91.66 145.71 24.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.363 -0.835 . . . . 75.01 108.862 177.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.512 ' HB3' HD11 ' A' ' 64' ' ' LEU . 35.1 t -157.38 170.7 21.85 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 124.103 0.961 . . . . 73.02 108.987 171.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -135.1 14.76 3.54 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.183 0.993 . . . . 72.4 110.877 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -149.02 118.94 7.1 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.528 0.731 . . . . 72.2 110.272 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.451 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -63.48 -21.53 66.37 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.217 1.007 . . . . 63.42 113.372 -175.623 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 14.0 mm100 -69.65 -39.22 77.21 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 109.153 -0.684 . . . . 72.1 109.153 -178.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.407 HD13 HG12 ' A' ' 32' ' ' VAL . 81.2 mt -58.36 -36.85 74.09 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 124.086 0.866 . . . . 71.23 110.604 173.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 58' ' ' SER . 9.0 mp -72.05 -35.46 69.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.724 0.81 . . . . 73.34 111.29 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 55.7 mtpt -60.89 -50.07 74.92 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.606 -0.516 . . . . 72.51 109.606 176.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 8.4 mm-40 -66.66 -32.73 74.23 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.437 1.086 . . . . 73.24 111.041 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.708 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 44.0 ttm -64.01 -55.3 23.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.011 0.924 . . . . 73.12 110.285 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 80.1 mt -69.64 -17.35 63.51 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.754 -1.112 . . . . 74.24 112.695 -173.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 36.0 mm-40 -60.54 -51.88 67.53 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.804 0.442 . . . . 73.24 110.501 170.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.75 -36.57 73.19 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.556 -0.747 . . . . 40.41 110.385 -178.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.453 HG21 HG21 ' A' ' 78' ' ' VAL . 58.5 mt -67.24 -31.83 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 115.705 -0.679 . . . . 64.11 111.507 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.4 m -58.37 -37.29 74.93 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.061 0.545 . . . . 43.15 111.181 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -74.2 -32.96 63.26 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.947 0.899 . . . . 74.01 110.999 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.5 mt -78.06 -31.98 50.59 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.725 -0.67 . . . . 64.54 110.467 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.79 82.18 0.07 OUTLIER Glycine 0 C--N 1.346 1.087 0 C-N-CA 124.488 1.042 . . . . 71.15 114.88 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -148.86 165.17 32.33 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.207 0.527 . . . . 72.12 111.49 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -77.16 102.89 6.79 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.032 -0.986 . . . . 72.11 111.409 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.453 HG21 HG21 ' A' ' 71' ' ' ILE . 87.8 t -98.46 131.61 45.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-N 114.691 -1.14 . . . . 74.04 108.928 168.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -102.96 103.46 13.58 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 108.257 -1.016 . . . . 73.21 108.257 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 6' ' ' LEU . 23.8 tp -95.53 135.69 36.86 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.547 0.739 . . . . 72.21 110.622 -178.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.476 HD21 ' HB1' ' A' ' 113' ' ' ALA . 57.5 tp -121.57 129.89 53.15 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.257 1.023 . . . . 71.24 108.842 173.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.545 ' HB3' HD22 ' A' ' 90' ' ' LEU . 96.0 mt -115.18 102.47 9.93 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.389 -0.967 . . . . 52.41 108.389 175.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.493 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -117.04 108.23 15.5 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.28 0.562 . . . . 70.22 110.144 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.539 ' HB3' HD11 ' A' ' 90' ' ' LEU . 18.1 t0 -171.24 142.66 1.77 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 108.232 -1.025 . . . . 53.13 108.232 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -73.99 -18.52 60.85 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.855 -0.612 . . . . 71.22 110.985 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -82.21 76.76 9.07 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 107.441 -1.318 . . . . 65.22 107.441 163.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.602 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 7.7 pt-20 -78.16 -14.73 59.35 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.676 -1.147 . . . . 65.21 111.8 -175.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -62.3 -51.35 68.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.859 0.864 . . . . 71.04 110.83 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.53 -31.86 65.65 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.287 -0.415 . . . . 74.41 110.649 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 82' ' ' LEU . 62.0 mt -59.8 -42.19 92.89 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 110.261 -0.274 . . . . 61.43 110.261 173.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.94 -51.48 69.49 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 124.09 0.869 . . . . 72.44 109.879 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -53.79 -50.19 66.63 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.16 0.913 . . . . 61.23 110.648 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -63.13 -51.48 66.34 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 124.368 1.042 . . . . 65.22 111.623 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -64.87 -21.28 66.78 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.69 0.396 . . . . 74.14 111.955 -175.668 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -68.31 -32.64 72.91 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.968 0.507 . . . . 73.21 111.717 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -72.05 -41.65 67.19 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.243 0.544 . . . . 64.21 110.208 172.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.434 HG22 ' HB2' ' A' ' 102' ' ' TYR . 22.5 mm -74.55 -42.82 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 115.267 -0.879 . . . . 64.32 111.142 -169.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -69.09 -30.91 69.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.234 1.014 . . . . 64.11 110.483 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.9 t -63.51 -33.96 76.74 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.44 0.696 . . . . 61.34 111.022 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -80.57 -3.07 48.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.732 0.813 . . . . 64.05 111.703 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.05 9.46 67.62 Favored Glycine 0 C--N 1.348 1.202 0 N-CA-C 113.79 0.276 . . . . 61.42 113.79 175.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.434 ' HB2' HG22 ' A' ' 97' ' ' ILE . 88.5 m-85 -75.65 149.27 38.22 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 109.538 -0.541 . . . . 75.5 109.538 172.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -87.44 100.13 12.52 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 108.578 -0.897 . . . . 74.44 108.578 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.9 p -125.7 117.43 49.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 122.926 0.49 . . . . 72.32 110.389 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -101.23 135.47 42.65 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.513 -0.767 . . . . 75.41 109.098 173.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.602 ' HE2' ' HB2' ' A' ' 87' ' ' GLU . 13.1 tmtt? -113.44 117.65 32.33 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.68 1.192 . . . . 75.2 108.681 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 23.8 m -136.79 -174.1 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.925 1.29 . . . . 62.02 109.52 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.8 p -122.73 -63.74 1.24 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.399 0.68 . . . . 55.21 111.378 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -85.89 171.12 11.74 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.03 0.919 . . . . 73.41 113.334 -167.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.416 ' HB3' HD13 ' A' ' 14' ' ' LEU . 4.4 m-20 -74.38 -51.54 14.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 114.053 -1.431 . . . . 63.14 111.237 -169.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -55.49 -36.84 67.09 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.83 0.852 . . . . 52.15 111.57 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.574 ' O ' HG12 ' A' ' 116' ' ' ILE . 21.2 tp10 -75.33 -41.64 56.29 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 123.547 0.739 . . . . 74.41 109.952 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.476 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -59.09 -39.57 82.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.683 0.393 . . . . 73.14 111.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.24 -51.8 68.43 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.033 0.933 . . . . 63.22 111.599 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -66.61 -32.87 74.48 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.42 0.45 . . . . 73.31 111.072 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 112' ' ' GLU . 48.3 mm -64.26 -41.88 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.146 0.578 . . . . 75.54 110.524 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.506 ' O ' ' SD ' ' A' ' 121' ' ' MET . 79.7 t -56.56 -50.97 71.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 O-C-N 123.801 0.688 . . . . 64.52 109.807 174.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.507 ' HA ' ' SD ' ' A' ' 121' ' ' MET . 59.4 mtp85 -63.78 -26.68 68.75 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.031 0.832 . . . . 65.04 111.212 -176.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -75.57 -35.26 60.65 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.401 0.68 . . . . 73.04 111.467 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.447 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 11.7 m-85 -54.58 -49.79 69.54 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.145 0.578 . . . . 74.41 112.223 178.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.553 ' HA ' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -67.25 -21.02 65.75 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 123.513 0.508 . . . . 70.32 111.865 178.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -66.95 -44.3 80.95 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.292 0.496 . . . . 72.34 110.478 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -72.33 -31.95 66.1 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.513 0.325 . . . . 75.22 110.573 174.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' A' ' 121' ' ' MET . . . -72.31 -12.19 61.03 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.596 0.758 . . . . 62.32 111.222 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.35 -38.35 96.12 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 112.093 -0.403 . . . . 72.04 112.093 171.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.5 m -61.92 -30.78 71.13 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.695 0.798 . . . . 74.51 111.602 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 58.4 mt -82.49 -35.21 27.62 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.498 0.719 . . . . 73.4 110.6 -175.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -57.23 -51.04 70.96 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 124.098 0.874 . . . . 72.13 109.697 173.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -78.6 99.2 6.45 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.246 -1.343 . . . . 74.25 108.08 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -54.51 125.67 20.56 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.191 0.996 . . . . 74.43 111.464 -171.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -49.63 104.6 0.07 Allowed 'General case' 0 CA--C 1.553 1.075 0 O-C-N 124.852 1.345 . . . . 74.43 113.893 -168.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -75.59 78.8 2.59 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.034 1.333 . . . . 75.14 108.813 175.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -138.78 57.97 1.66 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.878 0.871 . . . . 72.14 109.238 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 . . . . . 0 C--O 1.251 1.14 0 CA-C-N 114.578 -1.192 . . . . 75.2 109.326 179.077 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.773 -0.455 . . . . 72.12 109.773 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.46 ' HG3' ' H ' ' A' ' 52' ' ' GLU . 10.8 ttmm -158.26 149.67 21.15 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.589 -1.263 . . . . 74.23 107.589 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.518 HD13 ' HB1' ' A' ' 124' ' ' ALA . 73.0 mt -111.66 103.61 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.497 -0.557 . . . . 63.22 109.497 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.507 HD21 HD13 ' A' ' 45' ' ' LEU . 10.9 mp -107.66 131.18 54.67 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.53 -0.915 . . . . 63.42 108.53 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.543 HG12 ' HB2' ' A' ' 79' ' ' PHE . 20.8 mt -109.86 114.62 47.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.123 -1.066 . . . . 70.4 108.123 170.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.541 HD21 ' SD ' ' A' ' 67' ' ' MET . 77.2 mt -89.79 133.68 34.58 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.468 0.707 . . . . 71.23 109.106 178.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.8 mm -124.11 116.65 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.925 -0.769 . . . . 71.45 108.925 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.439 ' OD1' ' HB3' ' A' ' 61' ' ' LYS . 5.2 t-20 -128.01 102.16 6.62 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 108.294 -1.002 . . . . 72.1 108.294 166.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 t -127.78 139.67 52.52 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 107.809 -1.182 . . . . 74.31 107.809 170.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -69.67 -39.68 76.87 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.358 0.411 . . . . 71.13 110.258 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -76.78 93.96 3.78 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.508 -0.769 . . . . 54.23 109.009 174.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.74 -22.16 66.92 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.357 1.463 . . . . 61.31 112.624 -171.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.62 -30.69 70.33 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.26 0.624 . . . . 72.32 111.311 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' A' ' 110' ' ' ASP . 27.9 tp -61.7 -35.15 77.19 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.051 0.54 . . . . 62.14 110.962 175.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.694 HG21 ' HG3' ' A' ' 57' ' ' LYS . 68.4 mt -58.57 -35.98 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.252 0.621 . . . . 74.34 110.784 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -63.7 -34.98 79.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.438 0.461 . . . . 73.41 110.053 -178.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.583 ' HE2' HD11 ' A' ' 114' ' ' LEU . 45.5 mtpt -74.7 -43.77 53.42 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.786 0.834 . . . . 74.23 110.485 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.3 mt -61.7 -38.13 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.3 1.04 . . . . 72.22 110.187 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HE2' HG11 ' A' ' 29' ' ' VAL . 9.2 mtpm? -57.55 -50.41 73.2 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 115.348 -0.842 . . . . 71.22 109.583 176.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -63.34 -33.75 76.21 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 123.42 0.45 . . . . 72.14 111.814 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -65.66 -43.42 89.4 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.031 0.532 . . . . 65.5 111.872 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.653 HG11 HD13 ' A' ' 55' ' ' LEU . 10.8 m -76.64 -26.98 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.176 0.19 . . . . 61.14 110.693 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.75 -32.8 73.66 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.872 0.869 . . . . 62.21 109.929 176.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -61.71 -35.21 77.38 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.53 0.732 . . . . 60.34 110.79 171.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -90.1 -9.35 48.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.426 0.69 . . . . 62.31 110.987 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.11 31.35 20.33 Favored Glycine 0 C--N 1.349 1.286 0 N-CA-C 114.473 0.549 . . . . 51.44 114.473 173.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -82.09 148.03 28.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.256 0.623 . . . . 73.34 109.679 172.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -79.37 158.35 27.43 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.348 -0.982 . . . . 73.55 108.348 165.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.452 HG13 HD23 ' A' ' 55' ' ' LEU . 31.9 t -131.96 119.22 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 122.826 0.45 . . . . 75.12 109.84 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -131.3 159.21 38.52 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 108.898 -0.779 . . . . 74.15 108.898 169.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -127.41 136.89 52.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.048 0.539 . . . . 71.13 111.285 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.4 t -100.34 115.02 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.487 1.115 . . . . 73.41 108.668 174.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -89.44 -31.16 17.84 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.844 0.458 . . . . 61.33 110.988 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -144.57 160.72 40.68 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.921 0.488 . . . . 72.53 111.325 -174.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -56.25 -29.67 61.38 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.117 1.367 . . . . 75.34 112.642 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.542 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 21.8 t70 -57.71 -56.15 25.66 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 123.723 0.639 . . . . 73.45 110.181 175.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.58 -41.26 94.29 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.989 0.805 . . . . 70.03 110.761 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 tp -48.51 -62.28 1.58 Allowed 'General case' 0 C--N 1.352 0.707 0 O-C-N 125.006 1.441 . . . . 62.35 111.228 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -70.18 -33.06 71.27 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.423 0.452 . . . . 73.31 111.932 -175.369 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -58.41 -51.66 68.91 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.662 0.385 . . . . 62.34 110.997 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 7.8 pt-20 -80.21 -27.97 38.7 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 119.058 -0.496 . . . . 62.22 111.157 -177.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.407 ' SD ' HD12 ' A' ' 45' ' ' LEU . 75.5 mmm -66.01 -30.64 71.21 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 118.03 0.377 . . . . 63.54 111.408 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 6.3 mptp? -66.19 -41.49 90.15 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.692 -0.484 . . . . 70.43 109.692 172.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.05 -38.9 86.65 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.263 0.625 . . . . 74.33 110.431 -178.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.507 HD13 HD21 ' A' ' 4' ' ' LEU . 93.1 mt -67.06 -44.48 80.03 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.189 0.996 . . . . 74.25 110.204 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.24 83.48 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.497 -0.774 . . . . 63.45 111.37 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.46 -68.11 0.45 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.271 0.628 . . . . 63.54 112.285 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -153.27 110.99 3.55 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 122.886 0.475 . . . . 73.32 110.424 -168.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -163.4 3.11 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.455 0.702 . . . . 73.05 111.07 168.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 67.85 171.2 0.27 Allowed 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 124.806 1.242 . . . . 73.02 110.632 174.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -56.04 103.98 0.12 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.004 -0.739 . . . . 72.35 109.004 166.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.46 ' H ' ' HG3' ' A' ' 2' ' ' LYS . 9.8 tp10 -137.3 145.21 43.18 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.151 0.5 . . . . 73.25 110.764 -172.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -97.29 105.14 17.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.984 1.314 . . . . 73.11 108.371 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.3 mt -123.63 144.15 34.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.561 0.744 . . . . 60.4 109.43 -175.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.653 HD13 HG11 ' A' ' 22' ' ' VAL . 16.8 tp -112.64 112.51 24.09 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 107.686 -1.228 . . . . 34.15 107.686 175.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.0 mm -101.77 117.4 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 109.662 -0.496 . . . . 74.32 109.662 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.694 ' HG3' HG21 ' A' ' 15' ' ' ILE . 12.8 tmtt? -96.13 145.83 25.17 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.346 1.059 . . . . 61.24 110.124 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.532 ' HB3' HD11 ' A' ' 64' ' ' LEU . 48.4 t -159.74 158.35 31.1 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.473 0.709 . . . . 64.22 110.187 169.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -90.89 -20.62 22.04 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.855 0.862 . . . . 60.04 110.111 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.57 117.15 32.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.247 1.019 . . . . 61.13 109.238 -175.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.491 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -77.46 -11.91 59.9 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.725 0.81 . . . . 53.53 112.9 -178.118 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 10.6 mm100 -74.59 -32.52 62.4 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.707 -0.479 . . . . 64.21 109.707 -178.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.02 -37.56 83.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.58 0.752 . . . . 73.23 110.058 171.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.534 HD23 HD13 ' A' ' 80' ' ' LEU . 7.7 mp -68.16 -32.4 72.62 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 114.837 -1.074 . . . . 71.12 110.227 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 52.6 mtpt -65.85 -54.81 21.78 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.545 0.338 . . . . 64.55 110.109 176.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 13.8 mm-40 -63.84 -25.98 68.41 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.248 0.968 . . . . 73.01 111.146 -176.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.541 ' SD ' HD21 ' A' ' 6' ' ' LEU . 38.0 ttm -66.85 -51.8 51.2 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.714 0.806 . . . . 53.31 109.869 172.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.407 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 97.6 mt -66.04 -25.99 67.3 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.022 0.929 . . . . 65.4 112.263 -177.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 37.6 mm-40 -64.53 -36.14 83.25 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.945 0.498 . . . . 55.44 110.533 174.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.9 mt -77.49 -40.63 42.32 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.449 0.699 . . . . 64.01 110.256 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.521 HD13 HG21 ' A' ' 78' ' ' VAL . 73.8 mt -66.42 -31.12 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.616 1.166 . . . . 74.43 111.862 -176.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.5 p -62.1 -29.56 70.4 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.762 0.425 . . . . 74.53 111.545 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -86.48 -29.72 22.55 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.019 0.527 . . . . 73.34 110.656 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.04 -26.0 61.14 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.059 0.544 . . . . 71.02 111.12 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.93 63.07 3.46 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.743 0.652 . . . . 61.03 114.397 173.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -149.33 158.23 44.0 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 121.011 0.434 . . . . 50.51 111.548 172.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -80.1 138.56 36.97 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.963 -1.017 . . . . 75.32 111.682 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 71' ' ' ILE . 91.9 t -129.65 144.33 38.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 124.505 1.122 . . . . 64.24 109.51 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.543 ' HB2' HG12 ' A' ' 5' ' ' ILE . 55.2 m-85 -117.95 108.82 15.75 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 124.171 0.988 . . . . 75.45 108.85 -175.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.534 HD13 HD23 ' A' ' 64' ' ' LEU . 20.5 tp -106.2 134.42 49.36 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.9 -0.408 . . . . 73.43 109.9 -176.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.423 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 40.7 tp -124.91 124.73 42.69 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.388 0.675 . . . . 63.32 109.464 174.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.541 ' HB3' HD13 ' A' ' 90' ' ' LEU . 51.7 mt -110.97 137.49 48.53 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.754 1.222 . . . . 61.34 108.293 177.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.64 126.13 10.9 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 117.861 0.3 . . . . 62.13 110.571 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -174.67 163.09 3.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.384 0.673 . . . . 64.35 110.163 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -72.03 -29.94 64.69 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.165 0.986 . . . . 71.53 111.361 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -87.49 61.93 6.84 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 122.778 1.275 . . . . 65.35 108.073 168.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 0.7 OUTLIER -75.46 -16.58 60.31 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 113.986 -1.461 . . . . 75.12 111.569 -176.631 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.91 -44.36 96.95 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.708 1.203 . . . . 64.01 111.632 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.42 -49.38 66.96 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.804 0.442 . . . . 74.14 110.578 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 82' ' ' LEU . 98.9 mt -63.03 -23.41 67.44 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.196 -0.911 . . . . 71.21 111.413 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.54 -39.49 91.83 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.356 1.062 . . . . 53.32 111.064 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.28 -34.66 25.71 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.469 0.308 . . . . 74.53 110.52 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.433 ' HD2' HD11 ' A' ' 82' ' ' LEU . 54.2 t80 -56.88 -48.36 78.32 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.503 0.721 . . . . 71.35 110.191 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.56 -27.34 68.37 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.158 -0.928 . . . . 74.31 111.73 -178.159 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -66.94 -41.97 86.05 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.898 0.479 . . . . 74.22 110.743 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.33 -48.6 79.11 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.695 0.622 . . . . 64.41 110.628 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.403 ' HB ' HG11 ' A' ' 104' ' ' VAL . 48.3 mm -64.38 -33.92 65.93 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 123.497 0.719 . . . . 72.14 110.618 -177.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.39 -34.13 72.19 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.206 1.002 . . . . 72.02 111.066 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.4 t -74.98 -13.18 60.48 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.433 0.693 . . . . 64.55 111.026 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -90.45 -0.76 57.79 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.95 0.9 . . . . 71.13 111.085 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.94 25.99 35.98 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 116.573 -0.285 . . . . 63.14 113.407 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -106.8 140.37 39.75 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.688 0.395 . . . . 62.21 110.223 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 79' ' ' PHE . 15.6 tp10 -78.0 102.46 7.4 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.693 -0.854 . . . . 62.41 108.693 178.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.403 HG11 ' HB ' ' A' ' 97' ' ' ILE . 2.8 p -133.81 133.52 56.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 123.065 0.546 . . . . 75.23 110.861 -172.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -128.42 158.77 37.38 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.884 0.874 . . . . 74.54 109.765 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.429 ' HB3' ' HE3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -137.37 131.53 32.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.887 -1.051 . . . . 71.42 108.358 177.181 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.1 m -135.19 -177.82 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.485 1.114 . . . . 60.41 110.386 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -130.52 -39.2 1.3 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.789 1.236 . . . . 73.13 109.831 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -78.65 135.29 37.17 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.694 -0.685 . . . . 74.43 109.725 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.439 ' HB2' HD13 ' A' ' 14' ' ' LEU . 11.6 p-10 -70.63 -36.69 73.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.55 1.14 . . . . 61.11 110.766 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.87 -40.43 96.52 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.889 -1.051 . . . . 71.34 110.278 175.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.546 ' O ' HG12 ' A' ' 116' ' ' ILE . 19.0 tp10 -71.11 -34.45 71.11 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.807 -0.633 . . . . 75.03 110.223 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -58.41 -43.3 88.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.654 0.382 . . . . 71.13 111.78 178.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.583 HD11 ' HE2' ' A' ' 17' ' ' LYS . 16.3 mt -66.92 -40.52 87.65 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.601 0.563 . . . . 62.31 111.904 -176.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 118' ' ' ARG . 13.0 ptmm? -73.87 -23.19 59.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 122.589 0.356 . . . . 73.24 110.446 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 112' ' ' GLU . 40.1 mm -74.09 -37.95 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.069 0.548 . . . . 72.41 110.882 172.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 113' ' ' ALA . 87.1 t -55.69 -37.54 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.376 0.67 . . . . 65.13 110.298 173.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 95.8 mtt180 -71.91 -28.64 63.62 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.123 -0.944 . . . . 65.33 111.384 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.58 -40.53 73.22 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.625 0.37 . . . . 73.42 110.704 173.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.423 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 22.4 m-85 -54.91 -32.82 61.48 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.163 0.585 . . . . 71.13 111.587 174.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 21.9 mmt -71.81 -24.82 61.79 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.639 0.775 . . . . 65.14 111.938 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.18 -49.51 43.02 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.484 0.713 . . . . 62.31 109.849 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -38.51 88.19 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.14 -0.936 . . . . 70.43 110.024 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.571 ' HA ' HD12 ' A' ' 127' ' ' LEU . . . -71.03 -28.5 64.43 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.065 0.946 . . . . 65.42 110.852 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.97 -42.11 99.74 Favored Glycine 0 C--N 1.344 1.024 0 CA-C-N 115.182 -0.917 . . . . 64.31 112.732 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.4 m -62.02 -31.8 72.23 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.166 0.587 . . . . 75.24 111.152 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 124' ' ' ALA . 31.9 mt -81.37 -4.5 55.91 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.135 0.974 . . . . 74.23 111.233 -174.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -76.69 -23.74 53.18 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.178 0.991 . . . . 71.22 109.641 173.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 67.97 90.73 0.09 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 125.171 1.389 . . . . 73.22 110.088 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -97.47 -146.58 0.31 Allowed 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 109.117 -0.698 . . . . 73.13 109.117 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -55.98 -36.24 67.65 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.21 0.604 . . . . 74.4 109.977 167.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -89.27 126.08 35.36 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 124.327 1.051 . . . . 75.25 108.79 170.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -115.15 -63.47 1.45 Allowed 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.721 -0.844 . . . . 61.33 108.721 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 41.9 t60 . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.616 -0.883 . . . . 71.14 108.616 174.952 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.059 -0.719 . . . . 73.33 109.059 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -148.23 127.94 13.37 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.133 -1.062 . . . . 75.51 108.133 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.54 HG21 ' HB1' ' A' ' 124' ' ' ALA . 71.6 mt -91.84 122.75 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 109.318 -0.623 . . . . 71.03 109.318 -175.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.47 HD11 HD22 ' A' ' 45' ' ' LEU . 11.2 mp -115.61 144.19 44.26 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.463 0.705 . . . . 70.44 109.365 173.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.472 HG12 ' HB2' ' A' ' 79' ' ' PHE . 33.3 mt -122.22 111.43 30.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 N-CA-C 107.187 -1.412 . . . . 64.21 107.187 163.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.443 HD21 ' SD ' ' A' ' 67' ' ' MET . 63.6 mt -89.68 121.06 31.5 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.423 0.689 . . . . 72.11 109.41 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.475 HG13 HG21 ' A' ' 18' ' ' ILE . 45.9 mm -109.5 116.59 52.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 CA-C-N 115.527 -0.761 . . . . 62.34 109.457 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -119.41 101.95 8.32 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.22 -1.03 . . . . 72.03 108.22 169.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.613 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 6.5 t -130.94 146.02 52.21 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.518 0.727 . . . . 74.31 109.476 168.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -69.96 -20.98 63.29 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 115.706 -0.679 . . . . 73.51 110.699 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -91.39 101.86 14.54 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.477 0.711 . . . . 73.24 110.208 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.68 -29.88 70.89 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.461 0.705 . . . . 75.33 110.827 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.65 -35.33 75.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.167 0.987 . . . . 71.21 110.466 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.51 -38.63 90.69 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.682 0.393 . . . . 74.15 110.249 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.62 HD13 ' HD3' ' A' ' 57' ' ' LYS . 56.9 mt -61.21 -37.81 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.207 0.603 . . . . 72.24 110.523 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.485 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 94.4 mttt -54.99 -34.92 63.8 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.287 0.635 . . . . 74.5 111.462 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 24.5 mtpp -76.91 -44.19 32.65 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.468 -0.787 . . . . 74.44 110.385 177.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.475 HG21 HG13 ' A' ' 7' ' ' ILE . 81.1 mt -59.33 -37.24 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 124.287 1.035 . . . . 72.12 111.515 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.646 ' HG2' HG11 ' A' ' 29' ' ' VAL . 27.6 mtpp -57.97 -53.1 62.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.337 1.055 . . . . 62.13 109.096 175.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -67.06 -26.13 66.59 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.469 -0.787 . . . . 51.14 112.571 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 21.0 mm-40 -63.57 -55.12 26.28 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 121.168 0.508 . . . . 70.33 110.218 173.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.408 HG21 HD22 ' A' ' 55' ' ' LEU . 33.2 m -75.45 -29.12 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 N-CA-C 112.861 0.689 . . . . 73.52 112.861 -171.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.42 -20.5 66.19 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 112.451 0.537 . . . . 70.34 112.451 -176.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -59.36 -41.44 89.25 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.033 0.533 . . . . 32.15 110.914 171.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -91.62 7.92 39.22 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.303 0.641 . . . . 70.3 111.509 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.93 27.09 51.54 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-O 119.657 -0.524 . . . . 54.41 114.368 171.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -70.17 129.16 38.65 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 117.337 0.568 . . . . 63.31 109.711 172.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -79.72 111.38 15.96 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 107.722 -1.214 . . . . 71.44 107.722 170.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.646 HG11 ' HG2' ' A' ' 19' ' ' LYS . 39.1 t -90.12 119.26 36.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.683 -0.858 . . . . 73.35 108.683 177.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.41 124.52 50.22 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.807 -1.183 . . . . 73.12 107.807 168.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.49 ' HA ' ' HG3' ' A' ' 57' ' ' LYS . 6.6 m-20 -91.6 112.14 23.94 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 114.591 -1.186 . . . . 75.13 109.072 -174.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.6 t -89.11 115.25 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.688 0.795 . . . . 62.23 109.863 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -96.9 -19.4 18.86 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.701 0.8 . . . . 71.3 111.658 -175.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -159.75 171.32 19.73 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.744 0.418 . . . . 65.11 110.386 -172.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 t -61.26 -28.7 69.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.412 1.085 . . . . 75.24 111.572 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.6 -53.56 56.95 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 123.764 0.826 . . . . 53.14 109.563 170.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.87 -20.67 65.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.598 0.759 . . . . 64.54 111.893 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 67' ' ' MET . 68.4 tp -68.74 -58.04 4.79 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.495 0.718 . . . . 71.24 110.176 173.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -29.79 70.12 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 123.376 0.423 . . . . 74.41 111.3 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -55.75 -42.66 75.76 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.33 1.052 . . . . 75.31 110.827 171.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 41.8 mm-40 -80.82 -24.76 38.26 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.649 -0.705 . . . . 71.13 112.161 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.456 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 81.1 mmm -67.14 -27.87 67.67 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 117.779 0.263 . . . . 74.11 110.632 174.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.52 -45.96 84.96 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.185 0.517 . . . . 75.51 109.724 167.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -64.93 -21.48 66.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.252 -0.886 . . . . 74.31 111.86 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 68.9 mt -89.59 -45.99 8.98 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.894 0.702 . . . . 72.35 112.894 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.08 -36.92 12.43 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.554 1.316 . . . . 73.34 114.554 -164.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -57.07 -43.21 81.88 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.055 0.455 . . . . 55.45 111.139 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.33 137.26 48.7 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.423 -0.954 . . . . 65.02 108.423 166.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -106.64 22.39 15.95 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 122.012 0.91 . . . . 74.15 108.559 -178.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -67.81 153.41 43.78 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.064 1.346 . . . . 61.1 111.014 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.04 131.01 47.15 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 112.904 0.705 . . . . 74.43 112.904 -173.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -171.19 146.37 2.36 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.757 1.223 . . . . 73.32 109.322 172.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -91.35 120.38 32.17 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 108.414 -0.958 . . . . 65.01 108.414 171.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.4 mt -126.29 123.12 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.544 0.737 . . . . 62.31 109.776 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HB3' HG22 ' A' ' 29' ' ' VAL . 18.2 tp -90.95 114.26 26.7 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.012 -1.107 . . . . 73.45 108.012 168.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.3 mm -105.13 123.24 59.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.335 -0.987 . . . . 75.22 108.335 173.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.62 ' HD3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -109.68 149.74 29.29 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.316 -0.624 . . . . 72.03 109.316 176.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.564 ' HB3' HD11 ' A' ' 64' ' ' LEU . 41.4 t -170.77 120.39 0.55 Allowed 'General case' 0 C--O 1.24 0.601 0 C-N-CA 124.441 1.096 . . . . 73.24 108.563 174.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -65.82 -26.2 67.56 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.072 0.949 . . . . 70.55 110.75 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -83.28 115.12 21.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.17 0.988 . . . . 65.23 109.013 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -76.07 -22.49 55.56 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.727 0.64 . . . . 72.14 112.727 -174.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -71.67 -33.37 68.79 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.134 0.271 . . . . 75.11 110.352 -174.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt -58.72 -37.32 75.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.128 0.571 . . . . 75.21 111.251 175.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.1 mp -69.91 -35.68 74.79 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.517 0.727 . . . . 72.42 110.538 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HG2' ' CE1' ' A' ' 93' ' ' PHE . 6.8 mtpm? -60.18 -56.39 22.12 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.368 0.604 . . . . 73.42 109.915 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -66.35 -26.42 67.27 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 113.943 -1.481 . . . . 72.33 111.644 -175.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.499 ' HB2' HD11 ' A' ' 38' ' ' LEU . 33.5 ttm -65.17 -52.3 55.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.59 0.756 . . . . 74.23 109.44 173.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.528 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 98.4 mt -63.63 -32.24 73.66 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 124.284 0.99 . . . . 71.5 111.847 -177.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -61.66 -33.37 73.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.024 0.53 . . . . 50.33 111.238 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.4 mt -85.86 -30.43 22.92 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.062 0.545 . . . . 72.53 111.033 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.528 ' HB ' ' HA ' ' A' ' 68' ' ' LEU . 41.9 mt -67.7 -28.3 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 123.962 0.905 . . . . 71.12 111.251 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -58.41 -23.07 56.24 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.44 0.696 . . . . 63.12 112.098 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -71.63 -41.79 68.41 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.004 0.921 . . . . 64.25 110.662 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.4 mt -76.87 -39.01 52.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.901 0.88 . . . . 73.22 111.406 -177.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.6 83.68 0.1 Allowed Glycine 0 C--N 1.352 1.42 0 O-C-N 123.597 0.561 . . . . 54.22 113.917 175.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -152.23 170.95 18.74 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.181 0.515 . . . . 72.43 111.906 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -71.54 111.53 6.92 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.152 -0.931 . . . . 64.42 110.917 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.443 HG11 HD21 ' A' ' 68' ' ' LEU . 44.2 t -110.23 132.68 57.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 107.905 -1.146 . . . . 44.12 107.905 169.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.472 ' HB2' HG12 ' A' ' 5' ' ' ILE . 73.6 m-85 -108.59 107.92 18.61 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.397 -0.964 . . . . 61.41 108.397 -177.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.1 tp -102.74 139.48 38.26 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.605 0.762 . . . . 75.11 109.344 -174.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.8 tp -134.84 132.75 38.98 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.556 0.742 . . . . 73.55 109.271 178.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.577 ' HB3' HD22 ' A' ' 90' ' ' LEU . 78.1 mt -121.04 115.9 24.02 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.088 0.955 . . . . 63.35 109.288 -175.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.613 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -130.62 109.67 10.82 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.305 0.574 . . . . 72.44 112.047 -173.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.2 t70 179.42 170.2 1.02 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 125.409 1.484 . . . . 74.11 107.712 171.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -83.63 2.27 38.26 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.395 0.678 . . . . 74.15 111.598 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -86.67 40.07 0.87 Allowed 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 122.003 0.906 . . . . 64.11 109.706 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -57.08 -21.73 33.96 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 113.966 -1.47 . . . . 72.31 113.387 -167.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.52 -51.31 69.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.881 0.872 . . . . 72.22 110.364 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.34 -42.24 79.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.493 -0.776 . . . . 74.25 110.234 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 82' ' ' LEU . 85.3 mt -62.68 -32.09 73.1 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 123.974 0.796 . . . . 62.14 111.519 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -70.35 -48.46 56.31 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.952 0.901 . . . . 65.21 110.036 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.07 -42.0 94.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.706 -0.679 . . . . 71.33 110.49 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.476 ' CE1' ' HG2' ' A' ' 65' ' ' LYS . 3.8 t80 -59.86 -50.08 75.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.259 1.024 . . . . 75.33 110.709 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -27.46 69.19 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 123.044 0.215 . . . . 74.04 111.464 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.11 -36.44 77.54 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.062 0.545 . . . . 73.11 111.676 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -44.21 84.82 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.236 0.614 . . . . 63.44 110.708 175.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.45 HG22 ' HB2' ' A' ' 102' ' ' TYR . 38.9 mm -70.39 -38.9 75.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.11 -0.95 . . . . 55.45 110.696 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -68.73 -32.85 72.92 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.829 1.252 . . . . 75.31 111.035 176.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -68.51 -22.29 64.53 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.465 0.706 . . . . 73.04 111.099 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -96.14 9.26 41.49 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.535 0.734 . . . . 75.15 111.222 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.94 -4.28 85.61 Favored Glycine 0 C--N 1.35 1.343 0 CA-C-O 119.246 -0.752 . . . . 75.12 114.839 172.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.45 ' HB2' HG22 ' A' ' 97' ' ' ILE . 98.1 m-85 -69.43 142.34 53.86 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 117.717 0.759 . . . . 70.35 110.263 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -71.98 118.83 15.34 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 108.45 -0.945 . . . . 73.11 108.45 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.62 144.56 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.273 0.629 . . . . 52.43 111.011 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -134.85 153.17 52.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.527 1.131 . . . . 73.1 108.606 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.426 ' HD2' ' HB2' ' A' ' 90' ' ' LEU . 3.9 ttpm? -118.41 140.23 50.17 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 108.986 -0.746 . . . . 64.23 108.986 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.446 HG21 ' HB2' ' A' ' 113' ' ' ALA . 30.9 m -134.52 161.65 40.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 125.039 1.336 . . . . 74.5 108.917 176.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.0 p -122.28 -7.45 8.76 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.034 0.934 . . . . 60.22 110.666 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -122.28 157.71 31.11 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.676 0.79 . . . . 73.21 110.386 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -71.87 -58.03 3.81 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.521 1.128 . . . . 72.1 112.049 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.6 ' HA ' HD12 ' A' ' 114' ' ' LEU . 31.1 mt-10 -70.58 -26.9 63.74 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.399 -0.819 . . . . 73.35 110.534 -174.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.485 ' O ' HG12 ' A' ' 116' ' ' ILE . 49.3 tt0 -63.56 -43.58 96.63 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.122 -1.399 . . . . 50.54 110.229 172.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 107' ' ' VAL . . . -58.65 -50.27 74.48 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 123.033 0.533 . . . . 72.54 110.624 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 111' ' ' GLU . 78.1 mt -51.51 -42.49 61.75 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.547 1.139 . . . . 73.15 111.519 176.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -65.42 -40.04 92.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.747 1.219 . . . . 73.01 111.347 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 112' ' ' GLU . 42.9 mm -75.76 -29.89 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 123.063 0.545 . . . . 65.11 110.746 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 113' ' ' ALA . 75.2 t -59.1 -45.59 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.272 0.629 . . . . 70.22 109.82 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.48 ' HA ' ' SD ' ' A' ' 121' ' ' MET . 47.0 mtp85 -65.1 -33.85 77.01 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.019 0.825 . . . . 65.14 110.908 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -63.67 -49.82 71.7 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.248 0.619 . . . . 73.02 110.402 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -57.15 -34.39 68.38 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.824 0.85 . . . . 73.11 111.664 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.48 ' SD ' ' HA ' ' A' ' 118' ' ' ARG . 68.4 mtp -64.04 -37.28 86.87 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.87 0.868 . . . . 63.03 111.231 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -69.79 -45.7 67.37 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 122.988 0.515 . . . . 71.31 110.363 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 13.8 mptt -64.42 -36.84 85.48 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.241 -0.89 . . . . 72.23 110.399 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.54 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -70.67 -38.53 73.77 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.921 0.763 . . . . 53.34 111.047 177.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.13 -42.61 99.73 Favored Glycine 0 C--N 1.347 1.193 0 O-C-N 123.488 0.492 . . . . 51.13 112.202 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.9 p -71.48 -18.21 62.31 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.466 0.707 . . . . 62.33 112.241 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 97.9 mt -64.83 -40.75 95.68 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 118.25 0.477 . . . . 74.15 110.917 176.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -59.78 -69.0 0.23 Allowed 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 122.375 1.083 . . . . 74.42 109.077 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -102.67 68.66 1.04 Allowed 'General case' 0 C--O 1.239 0.523 0 CA-C-N 113.417 -1.72 . . . . 74.32 108.41 -175.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -76.78 77.21 3.39 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 114.762 -1.108 . . . . 73.1 111.732 -173.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -170.37 -38.77 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.868 2.067 . . . . 63.2 108.473 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -114.38 140.37 48.72 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.848 0.859 . . . . 54.24 111.104 -174.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -123.49 161.87 24.01 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 125.151 1.38 . . . . 75.43 110.177 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 . . . . . 0 CA--C 1.556 1.193 0 O-C-N 123.472 0.482 . . . . 74.11 110.753 178.653 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.475 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 12.2 tpt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.973 -0.38 . . . . 55.41 109.973 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.503 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 19.6 ttmm -105.84 134.69 48.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 122.847 0.459 . . . . 73.52 109.824 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.457 HD13 ' HB1' ' A' ' 124' ' ' ALA . 70.9 mt -106.49 120.56 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.776 1.23 . . . . 74.13 109.137 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.542 HD21 HD13 ' A' ' 45' ' ' LEU . 10.4 mp -114.16 138.63 50.19 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.639 0.776 . . . . 72.03 109.423 175.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.2 mt -115.71 107.84 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.946 -1.131 . . . . 74.31 107.946 166.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.472 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -87.88 124.62 33.85 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.517 1.127 . . . . 75.02 108.996 179.059 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.424 HG13 HG21 ' A' ' 18' ' ' ILE . 49.0 mm -113.59 115.83 50.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 108.999 -0.741 . . . . 71.21 108.999 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.553 ' HB2' HD21 ' A' ' 64' ' ' LEU . 28.6 t-20 -112.42 100.46 8.79 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 107.593 -1.262 . . . . 72.53 107.593 170.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.477 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 7.6 t -130.45 147.65 52.17 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.266 0.626 . . . . 65.0 110.755 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -71.76 -25.71 62.14 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.134 -0.939 . . . . 75.4 111.039 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -96.53 121.92 38.88 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.695 0.798 . . . . 74.33 111.496 -171.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.513 ' HA ' HD12 ' A' ' 15' ' ' ILE . 5.9 m-20 -69.88 -35.75 74.91 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.591 0.756 . . . . 62.22 110.867 173.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -57.24 -42.58 81.71 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.126 0.891 . . . . 75.23 110.94 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.8 tp -66.47 -40.51 89.38 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.951 0.9 . . . . 73.22 110.847 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 12' ' ' ASP . 92.7 mt -55.34 -50.11 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.818 0.847 . . . . 64.34 110.887 178.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -59.62 -30.97 69.07 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.039 0.837 . . . . 71.04 111.665 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HE2' HD11 ' A' ' 114' ' ' LEU . 56.8 mtpt -81.42 -42.41 20.43 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.746 0.818 . . . . 54.23 110.817 -178.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.424 HG21 HG13 ' A' ' 7' ' ' ILE . 59.6 mt -62.05 -33.7 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.76 0.824 . . . . 73.31 109.882 176.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HE2' HG11 ' A' ' 29' ' ' VAL . 8.6 mtpm? -57.75 -53.44 58.17 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 123.204 0.602 . . . . 74.35 110.391 175.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -69.37 -23.09 63.7 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.209 0.448 . . . . 63.01 112.209 -176.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 37.7 mm-40 -63.9 -57.92 8.34 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.359 -0.608 . . . . 65.31 109.359 169.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.716 HG11 HD13 ' A' ' 55' ' ' LEU . 16.3 m -71.27 -28.32 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 115.642 -0.708 . . . . 62.22 112.261 -170.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.31 -41.62 96.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.498 0.719 . . . . 74.11 110.295 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -78.38 -12.42 60.0 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.209 -0.451 . . . . 70.21 111.743 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 22.7 mm-40 -90.75 -12.12 37.5 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.01 0.524 . . . . 73.01 111.11 173.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.9 37.59 4.9 Favored Glycine 0 C--N 1.353 1.509 0 O-C-N 123.118 0.261 . . . . 34.33 113.649 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.446 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 12.2 m-85 -111.65 136.95 50.17 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.818 0.847 . . . . 73.44 109.731 175.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -82.77 138.27 34.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.56 -0.904 . . . . 73.11 108.56 168.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG11 ' HE2' ' A' ' 19' ' ' LYS . 41.2 t -100.17 121.68 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 109.923 -0.399 . . . . 74.11 109.923 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.23 113.01 25.2 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.079 0.951 . . . . 74.5 109.27 169.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.483 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 11.3 p-10 -90.98 114.65 27.22 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 108.812 -0.81 . . . . 53.01 108.812 170.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.3 t -82.03 110.84 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.379 -0.971 . . . . 71.42 108.379 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.438 ' H ' ' HG3' ' A' ' 37' ' ' GLU . 34.4 m-80 -87.97 -34.32 18.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.568 0.747 . . . . 72.14 110.789 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -151.05 168.8 23.5 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.699 -0.682 . . . . 75.1 110.619 -163.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 t -64.33 -30.58 71.62 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.427 0.691 . . . . 60.01 111.64 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.548 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 17.8 t70 -61.99 -47.22 85.77 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.519 0.728 . . . . 72.13 110.439 173.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' HG3' ' H ' ' A' ' 33' ' ' ASN . 12.0 mm-40 -53.62 -50.07 66.49 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.18 0.925 . . . . 61.0 109.991 174.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 67' ' ' MET . 57.5 tp -55.87 -58.09 9.34 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.029 -1.442 . . . . 73.41 112.397 -176.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.548 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -66.97 -37.66 84.66 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 111.838 0.31 . . . . 74.32 111.838 -175.213 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -61.07 -47.72 85.03 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.292 0.237 . . . . 62.22 111.525 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.8 pt-20 -70.61 -34.79 72.51 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 119.359 -0.353 . . . . 74.31 110.476 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.495 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -60.97 -40.53 93.72 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.499 0.72 . . . . 71.03 112.062 -177.652 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 5.5 mptp? -61.79 -38.99 90.12 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.679 -0.691 . . . . 75.03 110.36 175.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.441 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 9.6 mmpt? -69.42 -39.01 78.14 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.888 0.475 . . . . 74.21 111.153 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.542 HD13 HD21 ' A' ' 4' ' ' LEU . 71.6 mt -68.66 -22.8 64.37 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.24 0.616 . . . . 75.0 110.436 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.68 -49.06 10.2 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.807 0.843 . . . . 72.04 111.993 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 22.5 mm-40 -76.72 -49.67 15.49 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.73 0.412 . . . . 55.31 112.054 -172.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.55 97.4 1.31 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 108.386 -0.968 . . . . 71.44 108.386 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -100.74 -6.33 25.15 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.174 0.435 . . . . 71.43 112.174 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -71.11 171.03 11.67 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.726 0.41 . . . . 61.24 110.183 176.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.475 ' HA ' ' O ' ' A' ' 1' ' ' MET . 48.2 t80 -65.79 133.53 51.2 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.022 -0.535 . . . . 73.11 110.428 -176.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HB3' ' HG3' ' A' ' 2' ' ' LYS . 43.9 tt0 -165.97 147.76 7.03 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.17 0.988 . . . . 63.43 108.48 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 97.1 mttt -122.4 121.13 35.94 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.918 0.887 . . . . 74.21 109.054 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 49.8 mt -130.45 128.11 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 122.842 0.457 . . . . 64.11 110.528 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.716 HD13 HG11 ' A' ' 22' ' ' VAL . 23.3 tp -81.66 110.37 16.95 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 108.362 -0.977 . . . . 61.42 108.362 166.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.406 HG13 HD23 ' A' ' 4' ' ' LEU . 25.7 mm -92.4 114.37 29.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 108.81 -0.811 . . . . 63.42 108.81 175.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' HB3' ' HA ' ' A' ' 31' ' ' ASP . 13.6 tmtt? -90.45 128.66 36.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.213 -1.032 . . . . 54.41 108.213 170.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.3 t -160.57 115.88 2.25 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.197 -1.038 . . . . 73.12 108.197 173.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -94.82 -17.5 22.05 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.622 0.769 . . . . 72.5 110.454 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -88.97 112.0 22.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.154 0.581 . . . . 74.32 109.993 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' HA ' HD13 ' A' ' 64' ' ' LEU . 61.3 pttt -58.4 -25.22 61.86 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.378 1.071 . . . . 70.44 113.569 -174.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -69.13 -38.83 79.04 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.636 0.374 . . . . 64.44 110.203 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.68 -39.46 91.5 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 123.674 0.609 . . . . 74.22 110.621 175.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 8' ' ' ASN . 6.5 mp -68.77 -41.02 79.4 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.834 0.454 . . . . 71.12 111.48 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.9 mmmp? -60.8 -57.52 12.3 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.926 0.49 . . . . 73.43 110.19 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.13 -40.12 73.29 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 124.256 0.972 . . . . 64.35 111.57 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.495 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 35.7 ttm -60.11 -56.85 16.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.858 0.863 . . . . 75.44 110.627 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.565 HD23 HD12 ' A' ' 71' ' ' ILE . 95.8 mt -69.15 -20.78 64.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.918 0.887 . . . . 72.51 112.034 -175.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -75.49 -33.71 60.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.217 0.607 . . . . 72.44 110.552 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HB2' ' SD ' ' A' ' 42' ' ' MET . 95.0 mt -78.64 -29.9 46.08 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.887 0.375 . . . . 71.13 110.511 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.565 HD12 HD23 ' A' ' 68' ' ' LEU . 76.9 mt -74.38 -21.13 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.949 0.9 . . . . 74.03 110.161 174.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 t -57.83 -20.94 39.64 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.787 0.662 . . . . 70.25 112.787 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -86.34 -34.3 20.31 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.107 0.563 . . . . 74.33 111.297 174.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.5 mt -82.97 -51.23 7.77 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.677 0.791 . . . . 63.4 110.772 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.38 33.07 57.13 Favored Glycine 0 C--N 1.342 0.896 0 CA-C-N 115.194 -0.912 . . . . 73.34 114.398 171.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -85.46 168.16 14.82 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 117.294 0.547 . . . . 74.13 110.627 173.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -75.45 105.11 6.3 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.577 -0.738 . . . . 54.51 111.282 -176.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG11 HD21 ' A' ' 68' ' ' LEU . 39.8 t -98.25 131.8 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 108.443 -0.947 . . . . 73.42 108.443 170.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -112.87 107.34 15.89 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.243 -1.021 . . . . 73.04 108.243 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 6' ' ' LEU . 30.6 tp -105.11 141.92 35.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.488 0.715 . . . . 73.43 110.018 -172.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.431 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 33.1 tp -133.13 112.38 11.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.856 0.862 . . . . 72.42 109.497 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.471 HD23 ' HB3' ' A' ' 8' ' ' ASN . 66.2 mt -94.75 93.15 7.34 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.461 1.104 . . . . 73.43 108.951 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.477 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -103.39 107.8 18.77 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.39 0.676 . . . . 62.22 111.235 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.527 ' HB3' HD11 ' A' ' 90' ' ' LEU . 25.9 t70 -178.17 158.11 1.16 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.56 1.144 . . . . 61.23 109.038 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -79.74 54.66 1.86 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.937 0.895 . . . . 65.51 110.703 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.407 ' O ' ' HE3' ' A' ' 106' ' ' LYS . 18.1 t70 -143.05 117.1 9.44 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.544 0.737 . . . . 72.33 109.288 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.9 -35.46 16.5 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 122.82 0.448 . . . . 73.01 110.044 170.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -56.89 -67.71 0.29 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.495 0.554 . . . . 65.24 112.495 -167.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -79.47 -36.26 39.01 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 119.515 -0.279 . . . . 63.23 111.448 -174.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 84' ' ' ASP . 60.7 mt -64.67 -43.43 93.6 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 111.831 0.308 . . . . 73.41 111.831 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 23.6 tt0 -70.9 -20.14 62.53 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.956 0.502 . . . . 73.22 110.881 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -82.0 -44.88 16.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.712 0.405 . . . . 63.44 110.433 172.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.421 ' O ' HG12 ' A' ' 97' ' ' ILE . 75.1 t80 -57.43 -48.4 79.24 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.671 1.188 . . . . 74.33 110.548 -176.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -24.52 67.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.909 -1.042 . . . . 72.21 112.717 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 78.1 mtp180 -66.13 -38.64 88.64 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.833 0.453 . . . . 63.54 110.601 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.71 -31.19 52.2 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.826 0.85 . . . . 72.02 110.581 -178.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.473 HG22 ' HB2' ' A' ' 102' ' ' TYR . 24.9 mm -71.44 -45.36 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 109.404 -0.591 . . . . 74.02 109.404 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.11 -30.3 69.43 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 114.944 -1.026 . . . . 51.34 110.384 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.7 t -64.05 -34.92 79.13 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.332 0.653 . . . . 71.14 111.396 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -79.82 -5.75 56.02 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.662 0.785 . . . . 71.41 111.7 177.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.74 19.65 39.87 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 116.322 -0.399 . . . . 61.43 113.254 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.473 ' HB2' HG22 ' A' ' 97' ' ' ILE . 26.2 m-85 -94.81 151.23 19.41 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 117.117 0.458 . . . . 72.21 109.928 176.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.82 125.83 29.95 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.209 -1.034 . . . . 42.14 108.209 174.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.48 142.83 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 122.959 0.504 . . . . 71.41 110.768 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -134.68 143.32 47.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.24 1.016 . . . . 75.2 109.693 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.407 ' HE3' ' O ' ' A' ' 86' ' ' ASP . 0.1 OUTLIER -105.36 131.48 52.75 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 107.769 -1.197 . . . . 64.25 107.769 175.173 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.0 m -138.62 167.3 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.377 1.071 . . . . 70.44 109.741 169.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.4 p -121.32 -46.45 2.29 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.075 0.95 . . . . 72.12 109.739 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -82.87 159.15 22.44 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.212 0.53 . . . . 73.11 112.13 -172.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.32 -59.05 3.48 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.878 1.271 . . . . 61.13 110.719 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.37 -29.64 70.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.216 0.606 . . . . 73.1 110.979 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.542 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -68.68 -37.25 79.44 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 123.967 0.907 . . . . 74.23 110.189 176.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -67.5 -46.99 71.29 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.061 0.144 . . . . 74.33 111.165 175.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.429 HD11 ' HE2' ' A' ' 17' ' ' LYS . 94.8 mt -58.27 -38.75 77.59 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.08 0.952 . . . . 74.25 111.894 -177.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -31.62 66.01 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.337 0.255 . . . . 70.22 111.155 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 112' ' ' GLU . 49.1 mm -75.19 -31.02 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 122.639 0.375 . . . . 63.3 110.721 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 113' ' ' ALA . 98.9 t -58.77 -38.95 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 122.918 0.487 . . . . 71.34 109.707 170.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -72.73 -31.36 64.9 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.503 -0.771 . . . . 72.41 111.002 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -65.16 -38.02 89.23 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.879 0.472 . . . . 74.33 110.923 173.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 20.1 m-85 -63.16 -25.52 68.39 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.486 0.715 . . . . 70.23 112.144 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 19.8 mmt -70.94 -29.49 65.53 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.814 0.446 . . . . 62.01 110.656 176.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -80.48 -35.83 34.24 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.176 0.59 . . . . 71.4 110.087 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -71.42 -37.68 71.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.413 1.085 . . . . 72.45 110.899 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.457 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -76.37 -29.95 57.38 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.713 0.805 . . . . 75.33 110.18 174.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.58 -19.69 74.93 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-N 115.529 -0.759 . . . . 71.34 112.823 173.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.5 t -71.65 -29.17 64.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.238 0.615 . . . . 44.54 110.658 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 45.4 mt -78.81 -36.34 42.79 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.84 0.856 . . . . 64.44 110.527 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -75.0 -54.42 7.21 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.918 0.887 . . . . 70.41 110.08 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -92.52 41.83 1.08 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 114.799 -1.092 . . . . 72.55 109.092 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.25 125.9 23.85 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.325 -1.307 . . . . 75.12 111.197 174.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -62.94 121.45 13.56 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.658 -0.701 . . . . 70.33 109.821 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -54.12 -33.61 58.22 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.067 1.347 . . . . 63.41 111.611 -174.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -103.82 111.65 24.26 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 107.929 -1.137 . . . . 72.14 107.929 163.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 72.3 m80 . . . . . 0 C--O 1.25 1.111 0 C-N-CA 122.962 0.505 . . . . 70.24 109.869 -178.371 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 tpt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.289 -0.634 . . . . 75.24 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -155.35 154.94 32.81 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.388 -0.967 . . . . 73.01 108.388 -177.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 53' ' ' LYS . 61.0 mt -118.68 107.58 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 108.521 -0.918 . . . . 65.21 108.521 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.3 mp -111.29 134.29 52.99 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.066 -0.716 . . . . 75.1 109.066 176.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.488 HG12 ' HB2' ' A' ' 79' ' ' PHE . 39.5 mt -114.79 115.3 49.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 108.15 -1.055 . . . . 62.22 108.15 171.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.512 ' HB3' HD23 ' A' ' 64' ' ' LEU . 80.3 mt -90.42 126.71 35.98 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.634 0.774 . . . . 63.2 109.039 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.4 mm -113.91 115.7 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 108.988 -0.745 . . . . 71.23 108.988 174.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -123.04 102.59 8.08 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.583 -0.895 . . . . 72.2 108.583 174.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.489 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 14.9 t -130.61 148.14 52.37 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.965 -0.561 . . . . 75.13 110.602 173.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -64.69 -43.63 92.9 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.102 -0.954 . . . . 63.01 110.43 175.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -86.15 105.67 16.72 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.439 0.638 . . . . 73.42 111.124 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.16 -32.82 70.23 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.643 1.177 . . . . 64.03 112.462 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.45 -31.53 70.52 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.579 1.152 . . . . 73.02 112.248 -177.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.1 -44.33 89.16 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.584 0.753 . . . . 74.34 110.794 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.564 HG21 ' HG2' ' A' ' 57' ' ' LYS . 10.0 mt -65.08 -35.56 75.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 O-C-N 123.503 0.502 . . . . 60.04 110.077 -175.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -46.61 -42.2 15.76 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.918 0.887 . . . . 72.23 111.512 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -79.03 -39.36 34.21 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.615 -1.175 . . . . 55.05 111.203 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.94 -32.75 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 123.629 0.772 . . . . 72.01 110.743 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.581 ' HG2' HG11 ' A' ' 29' ' ' VAL . 60.5 mtpt -66.98 -51.56 53.59 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.88 0.872 . . . . 64.21 109.415 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -57.81 -35.55 71.0 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.446 0.698 . . . . 75.34 111.222 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.93 -53.47 49.87 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.426 1.09 . . . . 74.24 111.005 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.658 HG11 HD13 ' A' ' 55' ' ' LEU . 28.9 m -72.01 -26.45 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 111.96 0.355 . . . . 64.3 111.96 -175.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.03 -26.3 67.46 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.74 0.816 . . . . 74.24 111.513 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -60.08 -33.23 71.8 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.487 0.715 . . . . 74.0 110.683 171.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -95.39 10.42 36.4 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.876 0.87 . . . . 70.31 111.964 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.81 19.62 77.43 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.241 -0.436 . . . . 62.52 113.93 173.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -75.36 133.99 41.08 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.734 0.414 . . . . 74.11 110.068 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -79.18 122.31 26.12 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 108.081 -1.081 . . . . 71.05 108.081 175.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.581 HG11 ' HG2' ' A' ' 19' ' ' LYS . 13.3 t -101.59 143.64 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 118.167 0.44 . . . . 64.04 110.105 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -131.8 141.29 49.43 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.61 1.164 . . . . 74.25 108.807 173.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 20.1 m-20 -108.73 117.03 33.12 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.287 1.035 . . . . 71.11 108.753 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.39 132.42 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.351 1.06 . . . . 50.54 108.968 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -111.65 -51.79 2.83 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.88 0.872 . . . . 65.23 109.612 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -119.4 161.42 20.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.73 0.812 . . . . 63.31 111.964 -167.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 p -66.94 -29.49 69.37 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.689 1.596 . . . . 61.22 113.429 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.42 -40.18 89.4 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 110.256 -0.275 . . . . 62.4 110.256 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.63 -34.57 78.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.503 0.321 . . . . 63.52 110.486 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.546 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 52.3 tp -59.42 -54.25 48.78 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 124.189 0.931 . . . . 75.13 110.736 176.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.97 -33.8 76.65 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 111.457 0.169 . . . . 63.42 111.457 -177.026 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -64.16 -45.43 88.49 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.228 -0.442 . . . . 64.4 111.482 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 8.3 pt-20 -70.57 -32.7 70.2 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 110.016 -0.364 . . . . 73.33 110.016 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.601 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 85.4 mmm -65.96 -29.92 70.39 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.494 0.318 . . . . 75.3 111.586 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -60.6 -50.32 73.99 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 123.672 0.608 . . . . 73.52 109.494 168.55 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -63.47 -37.91 89.1 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 115.386 -0.824 . . . . 63.34 111.909 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.466 HD12 ' SD ' ' A' ' 42' ' ' MET . 80.1 mt -75.78 -30.31 59.07 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.013 0.925 . . . . 71.43 110.325 -177.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.61 -41.91 71.64 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.606 0.762 . . . . 73.51 111.06 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.65 -42.92 60.72 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.043 -0.98 . . . . 71.04 111.13 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -80.37 84.41 6.02 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.703 0.763 . . . . 74.13 110.374 -170.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -73.23 -10.63 59.97 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 114.299 -1.319 . . . . 51.03 111.728 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -56.55 130.51 45.4 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.491 1.117 . . . . 55.14 111.312 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -67.41 94.93 0.42 Allowed 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.471 1.107 . . . . 73.43 108.931 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -141.24 143.41 34.13 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.349 -0.841 . . . . 73.04 109.651 -172.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -103.87 114.27 28.41 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.837 -0.801 . . . . 71.1 108.837 -176.631 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.6 mt -122.3 127.37 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.388 0.675 . . . . 72.31 109.953 -176.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.658 HD13 HG11 ' A' ' 22' ' ' VAL . 14.5 tp -89.78 114.95 26.74 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.176 -1.046 . . . . 73.1 108.176 171.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.3 mm -93.58 118.09 38.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 108.858 -0.793 . . . . 72.11 108.858 173.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.564 ' HG2' HG21 ' A' ' 15' ' ' ILE . 14.1 tmtt? -92.36 121.4 33.81 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 107.475 -1.306 . . . . 74.34 107.475 176.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.6 t -157.74 116.67 3.21 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.559 -0.534 . . . . 75.12 109.559 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -82.29 -15.5 52.75 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.544 0.738 . . . . 73.34 110.74 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -98.35 105.96 18.17 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.869 0.868 . . . . 74.21 109.957 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.482 ' HA ' HD13 ' A' ' 64' ' ' LEU . 25.1 pttm -61.13 -25.4 66.96 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.42 1.088 . . . . 75.23 113.708 -172.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.59 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 54.5 mt-30 -66.79 -36.08 81.57 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.052 0.541 . . . . 71.11 110.849 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.15 -40.47 93.96 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 115.169 -0.923 . . . . 65.33 110.655 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 6' ' ' LEU . 6.0 mp -69.58 -34.54 74.3 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.351 0.66 . . . . 55.44 111.252 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.59 ' HE3' ' HA ' ' A' ' 62' ' ' GLN . 8.8 mtmp? -63.85 -50.43 68.88 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 120.898 0.38 . . . . 73.25 110.253 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -69.16 -27.85 65.89 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.116 -0.947 . . . . 74.33 111.535 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.601 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 39.6 ttm -64.77 -49.33 71.17 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.372 -0.831 . . . . 64.12 109.734 174.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.05 -23.87 65.02 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.107 0.963 . . . . 73.01 112.08 -177.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.25 -44.77 92.36 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.72 0.772 . . . . 75.45 110.641 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.8 mt -85.12 -28.51 25.52 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.551 -1.204 . . . . 75.15 111.194 -175.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.529 HG21 HG21 ' A' ' 78' ' ' VAL . 71.2 mt -67.94 -31.72 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.474 0.71 . . . . 62.01 109.65 172.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.5 t -63.02 -23.42 67.44 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.917 0.887 . . . . 65.43 111.461 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -77.9 -37.94 46.81 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.368 0.667 . . . . 75.24 110.207 175.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -78.07 -43.5 28.99 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.922 0.889 . . . . 73.52 111.411 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.85 73.5 1.07 Allowed Glycine 0 C--N 1.341 0.849 0 CA-C-N 115.788 -0.642 . . . . 75.35 113.706 174.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -146.2 175.7 10.3 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.42 0.688 . . . . 72.43 110.531 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -81.77 126.1 31.43 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.056 0.942 . . . . 73.11 111.301 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.529 HG21 HG21 ' A' ' 71' ' ' ILE . 76.3 t -126.03 136.02 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 114.885 -1.052 . . . . 64.2 109.317 174.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.488 ' HB2' HG12 ' A' ' 5' ' ' ILE . 89.3 m-85 -111.97 110.96 21.55 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 124.426 1.09 . . . . 40.42 108.423 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.8 tp -103.01 132.52 49.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 123.716 0.806 . . . . 71.14 109.663 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.478 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 26.5 tp -122.52 117.23 25.41 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.464 -0.939 . . . . 70.45 108.464 175.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.59 ' HB3' HD13 ' A' ' 90' ' ' LEU . 77.7 mt -101.23 135.64 42.38 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.956 1.303 . . . . 71.03 107.896 176.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.489 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -147.47 112.69 5.53 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.775 0.43 . . . . 74.55 110.41 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -171.16 146.19 2.35 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.775 -0.824 . . . . 64.22 108.775 178.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -71.6 -28.26 63.69 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 124.066 0.854 . . . . 63.31 110.316 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.53 67.39 4.29 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 107.921 -1.14 . . . . 72.24 107.921 165.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -71.97 -22.81 61.39 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 113.954 -1.475 . . . . 75.34 112.122 -171.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -57.92 -36.03 71.9 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.496 1.118 . . . . 34.51 110.998 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.82 -52.51 63.86 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.905 -1.043 . . . . 71.21 110.843 172.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 82' ' ' LEU . 82.3 mt -80.84 -13.32 59.05 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.36 -0.836 . . . . 53.53 112.188 -172.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -85.58 -21.37 28.53 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.909 0.884 . . . . 70.31 109.274 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -87.76 -40.82 13.76 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.164 0.585 . . . . 73.2 110.785 166.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -54.99 -45.08 74.98 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.562 1.145 . . . . 53.42 110.21 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 95' ' ' ARG . 15.5 ptpt -58.12 -39.13 77.91 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 124.121 0.888 . . . . 73.33 111.694 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.484 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 79.1 mtp180 -67.34 -32.85 74.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.336 0.654 . . . . 72.44 110.709 -173.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -74.77 -39.8 61.56 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.94 0.896 . . . . 73.41 110.462 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.518 HG22 ' HB2' ' A' ' 102' ' ' TYR . 37.3 mm -75.76 -31.92 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.129 0.572 . . . . 71.11 110.981 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -71.13 -34.76 71.33 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.526 1.131 . . . . 74.34 108.808 175.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.8 t -66.76 -33.33 75.38 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.283 0.633 . . . . 74.51 110.331 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -76.13 -5.31 46.04 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.657 0.783 . . . . 54.42 111.636 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.99 29.18 32.16 Favored Glycine 0 C--N 1.351 1.395 0 C-N-CA 122.796 0.236 . . . . 34.55 113.44 172.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.518 ' HB2' HG22 ' A' ' 97' ' ' ILE . 90.3 m-85 -108.81 157.0 18.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.291 0.636 . . . . 72.14 109.771 175.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.82 121.36 25.29 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.425 -0.954 . . . . 74.12 108.425 172.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.7 p -140.59 135.97 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.682 0.793 . . . . 71.45 110.864 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -131.09 147.03 52.57 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.739 0.816 . . . . 61.34 109.698 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -112.62 134.08 54.33 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 108.162 -1.051 . . . . 72.1 108.162 177.601 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 28.7 m -133.78 171.78 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 125.316 1.446 . . . . 74.43 108.445 173.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.5 p -134.23 -23.81 1.67 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.553 0.741 . . . . 75.1 111.071 -175.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -113.05 162.56 15.76 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.187 0.518 . . . . 55.22 110.708 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.66 -57.32 5.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.269 -1.332 . . . . 72.02 111.204 -176.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.53 -27.77 69.39 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.543 -0.753 . . . . 72.04 111.712 -178.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -69.2 -44.95 71.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.241 1.016 . . . . 72.34 110.442 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.22 -43.9 95.64 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.447 -0.797 . . . . 51.5 111.124 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.24 -28.56 68.13 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.308 1.043 . . . . 62.25 112.174 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.29 -51.62 59.55 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.07 0.548 . . . . 64.3 109.577 172.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.431 ' HA ' ' HG2' ' A' ' 119' ' ' GLU . 28.7 mm -69.98 -29.75 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 114.626 -1.17 . . . . 72.22 111.87 -170.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 113' ' ' ALA . 99.5 t -56.67 -43.08 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.852 0.861 . . . . 64.03 110.182 173.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.01 -29.02 62.71 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.266 -0.879 . . . . 72.53 111.349 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.431 ' HG2' ' HA ' ' A' ' 116' ' ' ILE . 9.2 mm-40 -65.44 -46.96 77.82 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 109.769 -0.456 . . . . 72.01 109.769 176.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.478 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 26.1 m-85 -55.77 -36.91 67.85 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.616 0.766 . . . . 54.3 111.983 176.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.442 ' HE3' HG12 ' A' ' 117' ' ' VAL . 66.9 mtt -61.87 -34.05 75.3 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.103 0.877 . . . . 74.42 111.819 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -67.3 -47.84 69.41 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.968 0.907 . . . . 60.21 110.633 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -28.09 62.89 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 115.841 -0.618 . . . . 64.12 110.209 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.9 -25.09 58.68 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.633 0.773 . . . . 71.13 110.007 173.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -67.33 -35.01 86.96 Favored Glycine 0 C--N 1.356 1.644 0 O-C-N 123.672 0.607 . . . . 60.45 112.045 175.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.3 m -66.32 -20.08 65.99 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.233 0.613 . . . . 73.44 111.795 173.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.41 -40.36 15.45 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.714 0.806 . . . . 65.02 109.598 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -54.55 -56.01 23.34 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.359 1.063 . . . . 70.34 110.549 177.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -165.96 138.31 4.0 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 114.548 -1.205 . . . . 65.33 109.41 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 66.27 86.43 0.13 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.551 1.14 . . . . 72.41 110.791 171.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -82.94 72.51 10.02 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.801 0.841 . . . . 63.22 109.376 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -70.59 133.15 46.46 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 114.644 -1.162 . . . . 75.21 109.485 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -66.97 90.25 0.18 Allowed 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.511 1.132 . . . . 63.52 108.486 176.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 55.2 t60 . . . . . 0 C--O 1.248 0.98 0 CA-C-N 115.541 -0.754 . . . . 62.45 109.16 -172.913 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.478 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 14.8 tpt . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.273 -0.64 . . . . 42.049999999999997 109.273 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.498 ' HZ3' HD23 ' A' ' 45' ' ' LEU . 11.2 ptpt -118.89 136.76 53.88 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.261 0.624 . . . . 74.140000000000001 110.215 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.533 HD13 ' HB1' ' A' ' 124' ' ' ALA . 70.0 mt -94.06 105.12 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.019 0.928 . . . . 64.430000000000007 109.169 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.438 HD11 ' HD3' ' A' ' 2' ' ' LYS . 11.1 mp -100.33 127.1 46.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.443 0.697 . . . . 75.349999999999994 110.198 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 60.2 mt -105.4 104.37 16.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 107.182 -1.414 . . . . 51.329999999999998 107.182 165.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.439 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -88.2 127.56 35.44 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.077 -1.083 . . . . 73.239999999999995 108.077 179.158 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.503 HG13 HG21 ' A' ' 18' ' ' ILE . 44.4 mm -122.35 121.94 65.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.77 0 C-N-CA 123.948 0.899 . . . . 75.329999999999998 109.508 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.637 ' HB2' HD21 ' A' ' 64' ' ' LEU . 33.7 t30 -126.48 101.25 6.6 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 107.954 -1.128 . . . . 65.040000000000006 107.954 170.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.525 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 2.7 t -130.87 139.49 50.13 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.386 -0.825 . . . . 72.019999999999996 109.282 171.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -75.67 -18.1 59.75 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 109.305 -0.628 . . . . 63.299999999999997 109.305 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -79.41 88.71 5.0 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.144 -1.428 . . . . 73.430000000000007 107.144 170.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.75 -21.96 65.25 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.381 0.672 . . . . 75.430000000000007 111.541 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -77.66 -29.26 51.49 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.057 0.943 . . . . 73.099999999999994 110.965 174.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.55 -30.54 70.87 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.014 0.526 . . . . 73.230000000000004 110.152 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.583 HG21 ' HG3' ' A' ' 57' ' ' LYS . 63.4 mt -59.95 -40.08 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 122.909 0.484 . . . . 44.149999999999999 110.275 173.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 14.6 mmmm -63.49 -31.32 72.45 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.697 0.623 . . . . 73.340000000000003 111.138 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.439 ' HE2' HD11 ' A' ' 114' ' ' LEU . 45.3 mtpt -75.62 -43.67 46.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.545 0.738 . . . . 65.219999999999999 110.51 177.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.503 HG21 HG13 ' A' ' 7' ' ' ILE . 84.5 mt -62.11 -30.61 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 114.823 -1.08 . . . . 74.109999999999999 110.205 175.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 25.0 mtpp -61.58 -51.25 69.3 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-O 118.371 -0.823 . . . . 64.239999999999995 109.257 171.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -52.94 -41.08 64.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 123.504 0.502 . . . . 62.439999999999998 111.02 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.5 -52.89 63.75 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.277 0.985 . . . . 61.32 110.903 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.648 HG11 HD13 ' A' ' 55' ' ' LEU . 14.1 m -78.88 -24.19 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 N-CA-C 112.755 0.65 . . . . 71.010000000000005 112.755 -173.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 64.6 mm-40 -69.29 -39.2 78.46 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.815 0.846 . . . . 75.230000000000004 109.497 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -67.21 -21.67 65.75 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.902 -1.045 . . . . 63.229999999999997 111.309 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -102.89 -0.27 31.41 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.799 0.84 . . . . 73.540000000000006 111.327 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.77 37.15 27.07 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 115.127 0.811 . . . . 73.530000000000001 115.127 171.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.513 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 7.8 m-85 -89.95 135.92 33.36 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.212 0.605 . . . . 73.450000000000003 109.908 174.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -82.28 115.02 21.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.865 0.866 . . . . 63.399999999999999 109.204 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.9 t -81.97 108.48 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.662 0.385 . . . . 43.240000000000002 110.516 -176.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -97.78 162.59 13.19 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.407 1.483 . . . . 64.530000000000001 109.205 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.57 123.23 8.57 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.262 0.553 . . . . 70.409999999999997 111.589 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.494 HG12 HD13 ' A' ' 63' ' ' LEU . 26.9 t -95.83 122.29 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.802 0.841 . . . . 65.319999999999993 109.467 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -103.24 -34.91 8.64 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.091 0.556 . . . . 73.049999999999997 111.838 -177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -147.72 170.28 17.9 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.343 0.657 . . . . 72.099999999999994 110.266 -169.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t -65.38 -37.37 86.81 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.155 0.982 . . . . 74.120000000000005 111.952 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.75 -46.65 84.39 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.735 0.814 . . . . 75.120000000000005 109.59 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.41 -37.59 84.04 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.946 -1.024 . . . . 72.340000000000003 110.59 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 67' ' ' MET . 67.9 tp -58.34 -56.67 19.03 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.82 0.848 . . . . 74.310000000000002 110.704 -177.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -32.36 73.9 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 123.848 0.718 . . . . 62.43 111.513 -176.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -58.01 -48.39 80.18 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.402 0.62 . . . . 72.319999999999993 111.65 172.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -75.55 -23.68 56.63 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.884 -1.053 . . . . 75.420000000000002 111.077 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.488 ' SD ' HD12 ' A' ' 45' ' ' LEU . 72.9 mmm -71.4 -31.71 67.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.148 0.579 . . . . 74.409999999999997 110.143 173.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -37.46 87.55 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 115.992 -0.549 . . . . 72.239999999999995 109.723 174.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -64.72 -36.75 85.31 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.525 0.516 . . . . 75.140000000000001 111.092 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.498 HD23 ' HZ3' ' A' ' 2' ' ' LYS . 76.6 mt -69.09 -28.04 66.14 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 122.781 0.432 . . . . 74.430000000000007 110.88 176.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.43 -40.35 30.13 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.683 0.793 . . . . 72.510000000000005 111.747 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -74.53 -52.52 11.66 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.988 0.915 . . . . 72.430000000000007 111.354 -175.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.411 ' O ' ' HE3' ' A' ' 2' ' ' LYS . 41.1 mt-10 -77.98 94.26 4.59 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.591 -0.732 . . . . 72.25 109.326 -177.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -93.02 -16.15 25.37 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.751 0.82 . . . . 74.040000000000006 110.058 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -62.25 147.97 46.32 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.838 0.855 . . . . 64.109999999999999 110.437 175.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.478 ' HA ' ' O ' ' A' ' 1' ' ' MET . 79.2 t80 -65.47 120.36 12.71 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.554 0.742 . . . . 74.200000000000003 110.477 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -154.94 145.93 22.63 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.441 0.639 . . . . 64.450000000000003 110.972 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -97.04 120.95 38.35 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.395 1.478 . . . . 75.209999999999994 108.808 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.7 mt -125.8 136.77 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.647 0.779 . . . . 74.329999999999998 109.953 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.648 HD13 HG11 ' A' ' 22' ' ' VAL . 24.0 tp -100.16 113.05 25.42 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.343 -0.984 . . . . 73.230000000000004 108.343 169.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.6 mm -92.65 110.43 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.221 -0.659 . . . . 73.310000000000002 109.221 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.583 ' HG3' HG21 ' A' ' 15' ' ' ILE . 6.3 tmtm? -93.87 119.16 32.43 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.639 0.776 . . . . 63.439999999999998 108.955 174.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.5 t -156.94 118.41 3.75 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.384 -0.969 . . . . 61.509999999999998 108.384 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -94.73 8.46 42.44 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.235 1.014 . . . . 65.310000000000002 111.318 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.43 ' HB3' HD12 ' A' ' 63' ' ' LEU . 28.8 t70 -108.9 101.9 10.96 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.79 -0.819 . . . . 74.530000000000001 108.79 173.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -18.78 49.9 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 113.887 1.069 . . . . 53.130000000000003 113.887 -174.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -69.91 -46.35 65.6 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.746 -0.465 . . . . 74.540000000000006 109.746 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.494 HD13 HG12 ' A' ' 32' ' ' VAL . 83.4 mt -55.69 -35.62 66.26 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 124.002 0.814 . . . . 65.299999999999997 111.288 176.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 8' ' ' ASN . 11.2 mp -64.24 -53.25 52.1 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.827 0.851 . . . . 74.0 111.496 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -60.88 -47.18 87.56 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.925 0.766 . . . . 75.129999999999995 109.981 -174.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.05 -37.13 86.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.89 -1.05 . . . . 73.409999999999997 111.317 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.426 ' HB2' HD11 ' A' ' 38' ' ' LEU . 33.9 ttm -59.28 -51.84 68.24 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.056 0.942 . . . . 73.420000000000002 110.276 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 71' ' ' ILE . 96.2 mt -66.28 -32.44 73.85 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.362 1.039 . . . . 63.409999999999997 111.793 -175.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.57 -30.57 70.22 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.232 0.613 . . . . 73.409999999999997 111.058 175.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.8 mt -84.58 -26.8 27.71 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.09 0.556 . . . . 54.149999999999999 111.31 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.542 HD12 HD23 ' A' ' 68' ' ' LEU . 58.7 mt -69.74 -22.63 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.625 0.77 . . . . 63.5 109.987 173.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.4 m -60.65 -20.6 61.25 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.566 0.746 . . . . 64.25 112.023 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.73 -28.83 40.47 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.753 0.821 . . . . 74.340000000000003 111.057 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.1 mt -85.62 -48.33 8.99 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.848 0.859 . . . . 64.129999999999995 110.707 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.4 80.67 0.77 Allowed Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.936 -0.575 . . . . 63.43 113.544 173.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -152.29 167.07 29.83 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.183 0.593 . . . . 61.130000000000003 110.89 172.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -73.57 111.19 8.48 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.009 -0.996 . . . . 71.319999999999993 110.125 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.0 t -108.5 139.95 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.782 -0.822 . . . . 73.109999999999999 108.782 172.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' HA ' ' HB3' ' A' ' 103' ' ' GLU . 94.0 m-85 -103.91 146.96 27.9 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.629 1.172 . . . . 63.219999999999999 107.974 176.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' A' ' 6' ' ' LEU . 28.9 tp -142.28 139.27 31.83 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.874 0.47 . . . . 73.120000000000005 110.053 176.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.9 tp -129.66 134.95 47.96 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.405 1.082 . . . . 73.299999999999997 109.118 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.52 ' HB3' HD22 ' A' ' 90' ' ' LEU . 80.9 mt -121.42 110.36 15.98 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.51 1.124 . . . . 73.25 108.425 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.525 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -126.32 110.92 13.93 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 121.307 0.575 . . . . 61.130000000000003 111.109 -178.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.543 ' HB3' HD11 ' A' ' 90' ' ' LEU . 20.8 t70 -170.78 153.7 4.1 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.246 0.618 . . . . 74.310000000000002 109.866 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -71.36 -24.18 62.04 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.921 0.889 . . . . 71.5 111.172 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -86.61 68.87 10.29 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 107.133 -1.432 . . . . 55.310000000000002 107.133 167.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.533 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -72.1 -14.05 61.74 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 114.333 -1.303 . . . . 73.319999999999993 111.248 178.515 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -57.87 -53.7 55.27 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.654 1.181 . . . . 64.219999999999999 110.681 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -72.62 -27.9 62.43 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.086 0.241 . . . . 75.230000000000004 111.606 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 84' ' ' ASP . 79.8 mt -68.65 -36.68 78.9 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.826 0.45 . . . . 71.549999999999997 110.44 175.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 10.1 tp10 -70.45 -29.56 66.16 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 123.758 0.661 . . . . 74.239999999999995 110.094 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -39.2 39.63 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.205 0.602 . . . . 72.25 109.555 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -68.5 -41.18 80.42 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.865 -0.607 . . . . 71.340000000000003 111.895 -177.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -24.81 67.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.592 0.357 . . . . 63.32 111.373 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 2.2 mmp_? -62.25 -39.48 93.0 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 123.724 0.809 . . . . 53.350000000000001 111.426 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.419 ' H ' ' HD2' ' A' ' 96' ' ' LYS . 2.4 mptp? -68.76 -51.33 42.37 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 109.681 -0.489 . . . . 74.120000000000005 109.681 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.492 HD12 HD12 ' A' ' 68' ' ' LEU . 35.1 mm -63.94 -39.46 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 114.578 -1.192 . . . . 63.25 111.352 -170.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -69.79 -32.62 71.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.242 1.017 . . . . 72.209999999999994 110.352 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.8 m -76.25 -27.64 56.8 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.369 0.668 . . . . 73.140000000000001 111.288 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -73.5 -13.57 61.07 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.51 0.724 . . . . 62.140000000000001 110.81 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.55 31.44 21.7 Favored Glycine 0 C--N 1.346 1.13 0 O-C-N 123.261 0.351 . . . . 73.239999999999995 112.34 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -112.51 145.63 39.91 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.329 0.652 . . . . 75.549999999999997 109.992 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.561 ' HB3' ' HA ' ' A' ' 79' ' ' PHE . 8.4 tp10 -68.17 119.95 13.57 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 115.34 -0.846 . . . . 71.430000000000007 108.928 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.7 p -138.99 133.89 41.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 O-C-N 123.705 0.628 . . . . 74.349999999999994 109.413 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -130.12 119.54 23.18 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.621 0.769 . . . . 74.439999999999998 109.221 -174.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.533 ' HE3' ' HB2' ' A' ' 87' ' ' GLU . 1.5 tmtp? -94.87 120.32 34.9 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.032 0.933 . . . . 75.310000000000002 108.77 -177.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -139.0 -174.88 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.768 1.227 . . . . 70.019999999999996 109.125 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.7 p -139.53 -54.55 0.56 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.236 1.015 . . . . 60.130000000000003 109.889 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -73.89 158.37 34.59 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.411 -1.268 . . . . 63.409999999999997 112.007 -166.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.04 -59.6 5.21 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.795 1.238 . . . . 73.310000000000002 111.577 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.03 -23.96 48.01 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.244 0.218 . . . . 71.109999999999999 110.719 -174.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.452 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.7 tt0 -66.27 -34.35 77.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.376 0.67 . . . . 71.340000000000003 110.256 174.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.49 -50.06 35.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.836 0.454 . . . . 62.43 110.956 173.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.439 HD11 ' HE2' ' A' ' 17' ' ' LYS . 96.0 mt -58.52 -36.77 74.35 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.845 0.858 . . . . 75.439999999999998 112.529 -175.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -65.98 -37.05 84.97 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 123.433 0.458 . . . . 72.120000000000005 110.748 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 112' ' ' GLU . 20.4 mm -72.02 -30.14 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 O-C-N 123.472 0.482 . . . . 64.140000000000001 110.306 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.35 -43.38 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.291 0.636 . . . . 72.129999999999995 110.07 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -65.72 -30.58 71.27 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.498 -0.774 . . . . 74.030000000000001 110.465 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.424 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 37.9 mt-10 -70.84 -41.44 71.48 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 123.38 0.672 . . . . 72.540000000000006 111.167 174.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -55.23 -24.23 26.54 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 118.386 0.539 . . . . 73.049999999999997 112.037 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 18.7 mmt -68.42 -49.6 58.8 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.533 0.733 . . . . 72.519999999999996 110.373 174.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 19.1 pt20 -77.25 -23.15 51.3 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.132 0.573 . . . . 75.209999999999994 111.44 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 6.1 mptp? -70.33 -42.83 71.42 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.798 0.839 . . . . 55.119999999999997 108.768 172.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.533 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -67.22 -13.59 62.11 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.376 -0.829 . . . . 35.030000000000001 111.697 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.78 -29.11 71.31 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.453 0.47 . . . . 52.43 113.452 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.0 p -73.84 -29.45 62.13 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.678 0.391 . . . . 64.049999999999997 110.171 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.3 mt . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 124.073 0.949 . . . . 75.329999999999998 109.694 176.688 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.715 ' HG2' ' HB3' ' A' ' 127' ' ' LEU . 56.5 tpp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.457 -0.571 . . . . 74.209999999999994 109.457 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.516 ' HD3' HD22 ' A' ' 45' ' ' LEU . 24.1 ttmm -88.9 115.62 26.59 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.319 -0.993 . . . . 64.239999999999995 108.319 175.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.552 HD13 ' HB1' ' A' ' 124' ' ' ALA . 66.2 mt -95.63 105.76 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.501 0.72 . . . . 72.519999999999996 110.012 -173.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.2 mp -103.17 144.4 31.37 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.482 -0.562 . . . . 71.030000000000001 109.482 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.0 mt -122.6 112.31 33.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 107.394 -1.335 . . . . 55.240000000000002 107.394 166.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.529 HD21 ' SD ' ' A' ' 67' ' ' MET . 87.5 mt -88.4 121.52 30.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 108.678 -0.86 . . . . 74.430000000000007 108.678 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -111.11 115.25 49.38 Favored 'Isoleucine or valine' 0 C--O 1.245 0.867 0 N-CA-C 108.421 -0.955 . . . . 73.129999999999995 108.421 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -126.33 101.07 6.56 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 106.964 -1.495 . . . . 72.219999999999999 106.964 170.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.584 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.8 t -130.43 144.87 51.67 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 115.007 -0.997 . . . . 72.219999999999999 109.874 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -66.0 -37.78 86.81 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.452 -0.795 . . . . 52.229999999999997 109.076 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 49.9 t30 -82.96 94.1 7.67 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.014 0.926 . . . . 74.129999999999995 109.647 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.23 -21.51 62.11 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.707 0.803 . . . . 63.329999999999998 111.846 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -62.21 -34.88 77.31 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.561 0.744 . . . . 73.519999999999996 110.459 174.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' A' ' 11' ' ' ASN . 31.2 tp -62.38 -35.17 78.33 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.328 1.051 . . . . 53.119999999999997 112.003 173.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.569 HD13 ' HG2' ' A' ' 57' ' ' LYS . 54.8 mt -65.81 -32.5 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 122.971 0.509 . . . . 61.520000000000003 111.208 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -59.53 -36.99 77.2 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.475 0.655 . . . . 74.099999999999994 109.859 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.532 ' HE2' HD11 ' A' ' 114' ' ' LEU . 39.7 mtpt -71.96 -48.93 41.58 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.123 -1.398 . . . . 73.140000000000001 109.91 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.92 -30.91 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.36 1.064 . . . . 65.530000000000001 111.041 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.543 ' HE3' HG11 ' A' ' 29' ' ' VAL . 59.1 mtpt -62.92 -47.67 82.26 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.957 0.503 . . . . 74.430000000000007 110.521 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -65.49 -33.08 75.09 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.195 0.198 . . . . 74.430000000000007 111.283 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -60.78 -44.14 97.17 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.395 0.678 . . . . 55.329999999999998 111.425 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.703 HG11 HD13 ' A' ' 55' ' ' LEU . 16.8 m -81.9 -26.87 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 112.015 0.376 . . . . 63.140000000000001 112.015 -177.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.0 -27.41 65.66 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.467 0.707 . . . . 70.310000000000002 110.57 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -55.13 -36.88 66.24 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.653 0.781 . . . . 75.109999999999999 110.827 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -108.99 7.5 25.89 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.824 0.85 . . . . 74.030000000000001 112.239 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.31 38.69 62.65 Favored Glycine 0 C--N 1.347 1.166 0 N-CA-C 115.034 0.774 . . . . 72.209999999999994 115.034 171.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.542 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 9.0 m-85 -78.82 150.59 32.27 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 117.148 0.474 . . . . 73.010000000000005 110.298 171.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.465 HE21 HG12 ' A' ' 54' ' ' ILE . 8.8 tt0 -87.22 113.18 22.72 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.193 0.997 . . . . 63.340000000000003 109.226 177.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.543 HG11 ' HE3' ' A' ' 19' ' ' LYS . 57.9 t -78.17 102.03 4.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 109.273 -0.64 . . . . 75.329999999999998 109.273 177.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.717 HH22 HD21 ' A' ' 45' ' ' LEU . 48.9 ttp180 -118.69 132.02 56.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.731 0.812 . . . . 75.540000000000006 108.967 172.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -111.37 139.42 46.79 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.224 0.61 . . . . 74.510000000000005 110.694 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 63' ' ' LEU . 74.7 t -126.67 112.25 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.986 1.314 . . . . 73.140000000000001 107.994 174.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -113.75 -5.05 13.32 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.779 0.432 . . . . 73.219999999999999 112.051 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -136.61 157.56 46.49 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.844 0.858 . . . . 72.140000000000001 110.172 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 m -65.36 -36.2 83.28 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.372 1.069 . . . . 72.239999999999995 112.548 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.59 -47.18 86.65 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 123.628 0.58 . . . . 65.140000000000001 109.693 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.79 -32.87 74.13 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.835 -1.075 . . . . 62.229999999999997 110.684 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 67' ' ' MET . 32.1 tp -62.7 -61.22 2.57 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 124.021 0.826 . . . . 61.329999999999998 111.086 177.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.74 -26.7 67.86 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 123.345 0.403 . . . . 62.5 111.748 -174.01 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -60.78 -55.14 36.61 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.128 0.571 . . . . 72.230000000000004 111.089 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.51 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -74.49 -26.03 59.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.2 0.6 . . . . 70.400000000000006 111.11 -177.799 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.7 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -63.9 -39.22 93.68 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.324 0.65 . . . . 64.140000000000001 110.95 177.2 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.6 mmtp -66.73 -34.88 78.81 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 123.455 0.472 . . . . 73.409999999999997 110.643 175.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -62.88 -35.59 80.51 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.567 0.347 . . . . 74.239999999999995 111.343 176.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.717 HD21 HH22 ' A' ' 30' ' ' ARG . 44.5 mt -76.67 -32.15 57.74 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.442 0.697 . . . . 71.150000000000006 110.753 179.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.95 -36.69 41.2 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.654 0.782 . . . . 43.329999999999998 111.953 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.23 -40.38 52.23 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.047 0.939 . . . . 70.530000000000001 110.559 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -123.52 78.05 1.56 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.634 0.774 . . . . 72.430000000000007 109.29 -176.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -82.34 72.04 9.4 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 108.458 -0.941 . . . . 62.310000000000002 108.458 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -107.72 166.36 10.74 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.389 1.076 . . . . 65.420000000000002 109.989 -176.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -66.67 105.66 1.61 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.648 -0.871 . . . . 71.510000000000005 108.648 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -151.89 127.22 9.92 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.091 0.556 . . . . 73.239999999999995 109.803 -174.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -96.22 120.67 36.93 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.949 0.9 . . . . 53.539999999999999 109.245 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.465 HG12 HE21 ' A' ' 28' ' ' GLN . 23.6 mt -130.44 130.85 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.55 0.74 . . . . 75.0 109.553 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.703 HD13 HG11 ' A' ' 22' ' ' VAL . 25.1 tp -93.92 120.19 33.84 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.792 -1.188 . . . . 63.409999999999997 107.792 165.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 45.4 mm -100.65 124.05 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.801 0.44 . . . . 75.329999999999998 110.349 175.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.569 ' HG2' HD13 ' A' ' 15' ' ' ILE . 5.8 tmtm? -99.58 122.81 43.16 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.793 -1.188 . . . . 74.329999999999998 107.793 171.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.518 ' HB3' HD11 ' A' ' 64' ' ' LEU . 47.9 t -146.55 135.95 22.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.663 0.385 . . . . 61.140000000000001 110.076 177.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -83.28 -41.04 18.77 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.321 0.649 . . . . 70.400000000000006 110.184 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.68 133.99 34.37 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.292 0.637 . . . . 65.099999999999994 110.265 -175.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -73.44 -32.36 64.33 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.341 1.056 . . . . 72.230000000000004 111.462 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -73.84 -25.92 60.32 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.086 0.555 . . . . 64.540000000000006 110.764 -169.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.52 HD13 HG12 ' A' ' 32' ' ' VAL . 87.8 mt -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.482 0.713 . . . . 72.109999999999999 110.84 172.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.4 mp -67.49 -34.87 78.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.798 0.839 . . . . 54.409999999999997 110.621 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -58.36 -58.82 6.82 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.663 0.602 . . . . 55.520000000000003 110.635 174.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.473 ' HB2' HD21 ' A' ' 38' ' ' LEU . 31.6 mt-10 -59.83 -40.89 90.01 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.184 0.928 . . . . 73.310000000000002 111.419 -175.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.7 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 55.2 ttm -58.37 -54.06 51.24 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.512 1.133 . . . . 71.310000000000002 110.814 -178.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.557 HD12 HD12 ' A' ' 97' ' ' ILE . 96.0 mt -68.85 -25.44 64.64 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.46 0.704 . . . . 72.030000000000001 112.626 -176.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -77.36 -22.18 52.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.086 0.555 . . . . 72.540000000000006 111.243 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.455 HD12 ' SD ' ' A' ' 42' ' ' MET . 97.2 mt -85.55 -33.18 21.8 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.214 0.606 . . . . 62.450000000000003 111.031 169.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.4 mt -71.15 -27.66 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.809 0.844 . . . . 73.25 110.727 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.7 p -64.88 -25.11 67.75 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.114 0.566 . . . . 62.310000000000002 111.702 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -77.53 -28.1 51.86 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.718 0.807 . . . . 44.219999999999999 111.131 174.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.8 mt -86.1 -38.91 17.28 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.884 0.873 . . . . 62.399999999999999 111.196 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.81 84.25 0.34 Allowed Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.55 -0.75 . . . . 70.530000000000001 113.723 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -159.72 152.0 20.92 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.141 0.977 . . . . 54.329999999999998 109.827 166.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.426 ' HD3' HD21 ' A' ' 127' ' ' LEU . 83.8 tttt -80.51 133.85 35.87 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.939 0.4 . . . . 74.109999999999999 111.518 -173.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.7 t -121.01 141.16 42.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 124.197 0.999 . . . . 62.119999999999997 109.424 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.505 ' HA ' ' HB3' ' A' ' 103' ' ' GLU . 91.5 m-85 -105.11 115.48 30.34 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.734 1.214 . . . . 73.140000000000001 109.266 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.0 tp -100.47 141.28 33.54 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.909 0.484 . . . . 74.230000000000004 110.003 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 116' ' ' ILE . 51.6 tp -132.41 117.46 18.11 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.439 1.096 . . . . 71.230000000000004 108.875 172.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.487 ' HB3' HD22 ' A' ' 90' ' ' LEU . 74.3 mt -104.67 121.97 44.69 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.877 1.271 . . . . 74.340000000000003 108.325 177.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.584 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -128.6 110.97 12.72 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 118.77 0.714 . . . . 71.019999999999996 111.249 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -167.42 147.52 5.29 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.069 0.548 . . . . 65.299999999999997 109.749 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -68.76 -38.29 79.98 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 123.911 0.757 . . . . 62.0 110.505 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -80.34 80.59 6.76 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 122.487 1.137 . . . . 71.140000000000001 108.643 171.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.444 ' CB ' ' HE3' ' A' ' 106' ' ' LYS . 12.0 pt-20 -75.78 -13.35 60.29 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 114.027 -1.442 . . . . 63.299999999999997 112.056 -177.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -56.3 -36.85 69.13 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.716 0.806 . . . . 71.200000000000003 110.508 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.41 -49.75 68.07 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.114 -0.948 . . . . 74.310000000000002 111.099 172.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 82' ' ' LEU . 41.0 mt -70.61 -19.22 62.86 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.327 -0.851 . . . . 73.420000000000002 111.686 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.62 -41.76 62.38 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 123.829 0.852 . . . . 72.140000000000001 110.656 -174.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -68.98 -43.74 74.29 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.382 -0.372 . . . . 60.43 110.379 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.431 ' HD2' HD11 ' A' ' 82' ' ' LEU . 32.7 t80 -61.82 -45.01 95.66 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.261 -0.881 . . . . 71.310000000000002 111.375 -172.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.531 ' HA ' HG21 ' A' ' 104' ' ' VAL . 19.4 ptpt -60.67 -34.62 74.6 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.089 0.556 . . . . 74.540000000000006 111.746 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -72.14 -31.99 66.5 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.326 0.65 . . . . 74.340000000000003 111.352 -175.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 13.7 mptt -68.07 -49.14 63.16 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.95 0.5 . . . . 72.420000000000002 110.015 174.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.557 HD12 HD12 ' A' ' 68' ' ' LEU . 37.9 mm -67.84 -37.64 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.738 0.815 . . . . 54.399999999999999 111.422 -175.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.19 -37.97 89.39 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.164 -0.926 . . . . 73.0 110.386 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -72.35 -31.05 65.28 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.288 0.635 . . . . 62.200000000000003 110.758 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 97.0 mt-30 -71.74 -11.08 60.65 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.434 0.694 . . . . 73.530000000000001 111.195 175.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.47 15.53 52.82 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 116.439 -0.346 . . . . 31.539999999999999 113.167 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -99.99 156.58 17.08 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.089 0.556 . . . . 74.439999999999998 110.797 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.505 ' HB3' ' HA ' ' A' ' 79' ' ' PHE . 8.3 tp10 -72.87 130.25 40.0 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.935 -1.03 . . . . 74.409999999999997 108.39 176.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.531 HG21 ' HA ' ' A' ' 94' ' ' LYS . 7.6 p -138.77 122.46 19.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 CA-C-O 121.617 0.722 . . . . 72.439999999999998 110.135 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -117.51 136.78 53.0 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.322 1.049 . . . . 75.439999999999998 108.546 173.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.444 ' HE3' ' CB ' ' A' ' 87' ' ' GLU . 11.1 tmtt? -111.28 143.16 42.49 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.485 -0.931 . . . . 70.450000000000003 108.485 173.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.9 m -144.82 174.71 3.27 Favored 'Isoleucine or valine' 0 C--O 1.245 0.835 0 C-N-CA 125.317 1.447 . . . . 51.539999999999999 108.946 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.7 p -129.3 -45.26 1.23 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.659 0.784 . . . . 72.400000000000006 109.669 174.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.99 162.28 22.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.386 0.674 . . . . 64.420000000000002 111.392 -176.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.453 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 11.3 p-10 -74.17 -49.98 21.27 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 114.661 -1.154 . . . . 72.230000000000004 110.813 -176.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -29.77 68.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.731 0.412 . . . . 72.409999999999997 111.095 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.493 ' O ' HG12 ' A' ' 116' ' ' ILE . 51.0 tt0 -67.35 -39.92 85.79 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 124.27 0.981 . . . . 62.140000000000001 110.067 176.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.89 -46.45 84.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.932 0.493 . . . . 72.040000000000006 111.298 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.532 HD11 ' HE2' ' A' ' 17' ' ' LYS . 98.3 mt -61.58 -42.35 98.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.534 -0.757 . . . . 64.400000000000006 111.803 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 14.6 ptmm? -69.14 -24.98 64.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.72 0.408 . . . . 72.530000000000001 110.939 -175.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.575 HG21 HD13 ' A' ' 81' ' ' LEU . 37.5 mm -70.67 -45.66 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.382 0.673 . . . . 73.299999999999997 110.13 172.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.92 -34.45 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.587 0.755 . . . . 63.130000000000003 110.515 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -67.02 -35.92 80.98 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.912 0.885 . . . . 75.420000000000002 110.648 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.456 ' HB3' ' NZ ' ' A' ' 123' ' ' LYS . 61.7 mt-10 -75.35 -33.82 61.12 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.884 0.474 . . . . 74.109999999999999 111.409 174.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -59.07 -28.25 66.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.708 0.803 . . . . 74.530000000000001 111.499 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.633 ' HE3' ' HA ' ' A' ' 22' ' ' VAL . 21.1 mmt -63.29 -42.97 99.13 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.015 0.822 . . . . 71.340000000000003 110.96 175.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -78.83 -35.8 43.5 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.871 -0.604 . . . . 71.430000000000007 110.162 -172.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.456 ' NZ ' ' HB3' ' A' ' 119' ' ' GLU . 59.8 mttp -65.01 -39.28 93.19 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 114.754 -1.112 . . . . 74.209999999999994 110.956 173.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.552 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -71.15 -30.89 67.03 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.62 0.768 . . . . 72.219999999999999 111.247 176.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -67.11 -29.66 74.78 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.73 -0.668 . . . . 72.329999999999998 112.003 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.6 m -72.36 -28.29 62.94 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.496 0.718 . . . . 65.010000000000005 111.328 175.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.715 ' HB3' ' HG2' ' A' ' 1' ' ' MET . 61.4 mt . . . . . 0 N--CA 1.483 1.185 0 C-N-CA 123.404 0.682 . . . . 43.219999999999999 111.693 177.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.291 -0.633 . . . . 75.310000000000002 109.291 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -144.86 161.88 38.2 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.048 0.452 . . . . 62.130000000000003 110.875 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.585 HD12 ' HG2' ' A' ' 53' ' ' LYS . 84.0 mt -97.31 120.96 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.365 1.066 . . . . 74.239999999999995 109.506 -177.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.512 ' HB2' HG22 ' A' ' 78' ' ' VAL . 10.3 mp -120.53 123.77 43.73 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.357 -0.979 . . . . 52.43 108.357 169.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.418 ' HB ' HD12 ' A' ' 55' ' ' LEU . 50.6 mt -117.12 114.56 46.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 107.362 -1.347 . . . . 70.400000000000006 107.362 172.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.648 ' HB3' HD23 ' A' ' 64' ' ' LEU . 82.4 mt -88.99 139.08 30.81 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 108.923 -0.769 . . . . 60.210000000000001 108.923 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -128.58 115.93 39.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 123.807 0.843 . . . . 71.349999999999994 108.976 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.442 ' HB3' HD23 ' A' ' 82' ' ' LEU . 28.0 t-20 -125.5 99.49 6.05 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 107.04 -1.467 . . . . 64.310000000000002 107.04 171.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -130.22 138.04 50.35 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.32 0.648 . . . . 64.310000000000002 109.689 173.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -80.0 -14.4 58.59 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.819 0.847 . . . . 65.010000000000005 110.178 174.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -74.56 103.58 4.93 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 107.441 -1.318 . . . . 74.519999999999996 107.441 171.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.84 -53.48 55.32 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.352 0.661 . . . . 61.229999999999997 112.151 -170.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -77.77 -16.32 58.47 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.961 0.356 . . . . 73.430000000000007 111.961 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 32.6 tp -61.44 -37.46 83.62 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.996 -0.372 . . . . 74.299999999999997 109.996 170.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 92.3 mt -51.95 -52.01 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 124.067 0.855 . . . . 74.25 110.156 172.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -56.65 -41.25 76.87 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.317 1.047 . . . . 72.0 111.644 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' A' ' 14' ' ' LEU . 54.8 mtpt -67.39 -39.8 85.61 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.285 -0.87 . . . . 74.439999999999998 111.417 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.436 HG12 HG21 ' A' ' 117' ' ' VAL . 82.2 mt -70.34 -34.78 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.946 0.898 . . . . 70.040000000000006 110.275 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.484 ' HG2' HG11 ' A' ' 29' ' ' VAL . 62.1 mtpt -63.33 -51.8 64.45 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.145 0.578 . . . . 64.120000000000005 109.646 176.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -62.6 -32.91 74.0 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.841 0.456 . . . . 63.0 111.508 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.5 -46.39 88.66 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 123.861 0.726 . . . . 72.230000000000004 111.292 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.651 HG11 HD13 ' A' ' 55' ' ' LEU . 24.3 m -81.06 -24.85 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 115.941 -0.572 . . . . 73.409999999999997 111.304 -178.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 38.3 mt-10 -63.31 -29.06 70.44 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.361 0.664 . . . . 65.430000000000007 110.666 174.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -56.25 -29.2 60.75 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.046 0.939 . . . . 73.310000000000002 112.287 174.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -112.95 15.71 19.61 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.57 0.748 . . . . 74.409999999999997 111.597 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.59 37.91 85.6 Favored Glycine 0 C--N 1.347 1.165 0 O-C-N 123.452 0.47 . . . . 72.140000000000001 114.065 173.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -77.67 141.13 39.58 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.871 -0.418 . . . . 74.099999999999994 109.871 171.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -87.47 113.59 23.31 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.398 -0.964 . . . . 64.430000000000007 108.398 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.484 HG11 ' HG2' ' A' ' 19' ' ' LYS . 42.0 t -86.61 140.34 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.597 -0.519 . . . . 72.400000000000006 109.597 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -120.0 138.56 53.42 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.786 0.834 . . . . 75.519999999999996 108.924 172.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -105.29 112.04 25.0 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 107.887 -1.153 . . . . 60.299999999999997 107.887 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 58' ' ' SER . 97.9 t -106.64 120.58 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.92 -0.77 . . . . 72.430000000000007 108.92 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -108.41 -60.19 1.76 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.766 0.826 . . . . 70.0 109.877 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -94.23 167.78 11.33 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.328 1.051 . . . . 71.310000000000002 111.645 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.1 m -66.68 -29.92 70.04 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.149 -0.932 . . . . 63.310000000000002 110.162 167.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.449 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 32.7 t70 -61.12 -53.09 61.41 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.504 0.722 . . . . 75.329999999999998 109.637 170.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.71 -33.81 66.84 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.841 0.857 . . . . 75.439999999999998 112.074 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.41 -61.81 2.19 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.334 -0.848 . . . . 73.230000000000004 110.596 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.578 ' HA ' ' HB2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -70.82 -25.59 62.92 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 112.963 0.727 . . . . 73.310000000000002 112.963 -171.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -52.78 -52.67 55.77 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.93 0.871 . . . . 72.329999999999998 109.901 171.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 35.6 mm-40 -84.41 -15.88 44.68 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 114.331 -1.304 . . . . 75.099999999999994 112.51 -178.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.744 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -65.69 -33.45 75.91 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 118.108 0.413 . . . . 73.150000000000006 111.376 172.074 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.93 -40.18 75.88 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.337 0.398 . . . . 74.310000000000002 110.526 168.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -65.8 -52.61 49.29 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.394 0.616 . . . . 70.019999999999996 109.934 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.5 HD22 HD21 ' A' ' 4' ' ' LEU . 72.4 mt -68.0 -20.76 65.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.529 -0.759 . . . . 64.239999999999995 111.916 -173.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.43 -51.46 6.2 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.001 0.52 . . . . 61.109999999999999 111.872 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -81.3 -50.85 9.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.486 0.714 . . . . 72.430000000000007 111.552 -173.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -71.53 113.64 8.77 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.607 -0.516 . . . . 71.200000000000003 109.607 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -114.29 -4.91 12.97 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.343 0.657 . . . . 72.329999999999998 111.484 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -64.86 150.68 47.26 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.886 0.474 . . . . 74.409999999999997 110.619 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.76 98.46 0.19 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 123.815 0.697 . . . . 75.120000000000005 110.753 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -127.46 137.55 52.72 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.59 -0.732 . . . . 61.149999999999999 109.466 173.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.585 ' HG2' HD12 ' A' ' 3' ' ' ILE . 26.9 mtmm -90.8 101.8 14.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.688 -1.142 . . . . 74.340000000000003 108.074 178.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 mt -116.08 128.81 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.141 0.577 . . . . 74.120000000000005 110.191 -174.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.651 HD13 HG11 ' A' ' 22' ' ' VAL . 14.4 tp -102.11 108.28 19.64 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 107.788 -1.19 . . . . 61.240000000000002 107.788 168.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.469 ' HB ' HD23 ' A' ' 6' ' ' LEU . 23.1 mm -92.08 120.55 41.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 108.805 -0.813 . . . . 61.140000000000001 108.805 174.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -103.86 139.95 38.34 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.098 0.959 . . . . 71.099999999999994 108.617 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.524 ' HB2' ' HB ' ' A' ' 32' ' ' VAL . 44.3 t -164.6 137.37 4.79 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.866 0.729 . . . . 54.340000000000003 109.65 173.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.66 -34.9 34.48 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.301 1.04 . . . . 71.329999999999998 111.544 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -87.55 104.8 16.83 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.014 -0.539 . . . . 73.140000000000001 109.93 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.575 ' HA ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -57.65 -20.6 34.61 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.499 0.72 . . . . 71.129999999999995 112.676 -178.662 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -58.15 -50.78 72.3 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 123.118 0.567 . . . . 54.509999999999998 109.808 174.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.56 -40.46 87.39 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.375 1.07 . . . . 65.319999999999993 111.557 -175.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.648 HD23 ' HB3' ' A' ' 6' ' ' LEU . 6.0 mp -66.0 -39.78 90.57 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 116.156 -0.475 . . . . 72.219999999999999 110.531 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 57.4 tttp -67.94 -47.86 67.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.745 0.418 . . . . 75.230000000000004 110.743 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -60.26 -30.37 69.39 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.981 0.912 . . . . 64.239999999999995 111.13 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.744 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 34.1 ttm -64.88 -49.31 70.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.829 -1.078 . . . . 74.099999999999994 109.936 174.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.477 HD23 HD12 ' A' ' 71' ' ' ILE . 95.8 mt -67.59 -24.23 65.47 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.506 1.122 . . . . 75.299999999999997 112.496 -176.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 17.4 mm-40 -60.62 -38.08 83.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.137 0.575 . . . . 72.109999999999999 110.347 176.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.688 HD12 ' SD ' ' A' ' 42' ' ' MET . 60.1 mt -80.89 -41.83 22.45 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.397 -0.82 . . . . 72.129999999999995 110.442 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.623 ' HA ' HD12 ' A' ' 74' ' ' LEU . 68.7 mt -60.77 -33.11 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 124.133 0.973 . . . . 64.519999999999996 112.374 -175.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.9 p -49.73 -54.35 19.4 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.467 1.107 . . . . 72.010000000000005 112.424 -175.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -86.39 -8.42 57.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.854 -0.612 . . . . 75.540000000000006 112.093 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 71' ' ' ILE . 87.7 mt -69.49 -48.05 61.89 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 108.603 -0.888 . . . . 74.420000000000002 108.603 168.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.01 77.02 1.26 Allowed Glycine 0 C--N 1.347 1.146 0 CA-C-N 115.166 -0.925 . . . . 71.400000000000006 113.943 171.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -156.7 160.13 39.03 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.868 0.867 . . . . 63.119999999999997 109.495 169.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -75.46 122.49 23.91 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.484 -0.78 . . . . 71.329999999999998 110.924 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.55 HG21 HG21 ' A' ' 71' ' ' ILE . 60.7 t -124.31 143.56 37.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 123.501 0.721 . . . . 44.0 109.241 173.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -109.56 161.1 15.68 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.318 1.447 . . . . 65.099999999999994 108.187 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.4 tp -148.61 132.39 16.98 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.039 0.535 . . . . 71.349999999999994 110.354 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.533 HD21 ' HB1' ' A' ' 113' ' ' ALA . 35.2 tp -114.74 123.36 49.06 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.084 0.953 . . . . 73.209999999999994 109.218 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.554 ' HB3' HD22 ' A' ' 90' ' ' LEU . 97.0 mt -112.0 114.37 27.22 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.127 0.971 . . . . 65.329999999999998 108.543 176.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.1 110.77 10.93 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 118.133 0.424 . . . . 65.010000000000005 110.807 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.491 ' HB3' HD11 ' A' ' 90' ' ' LEU . 17.0 t0 -165.79 152.55 9.85 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.778 0.831 . . . . 62.149999999999999 109.079 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.29 -30.57 71.44 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.826 1.25 . . . . 75.219999999999999 110.967 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -82.63 81.14 8.54 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.175 -1.417 . . . . 74.439999999999998 107.175 167.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.74 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 8.1 pt-20 -75.48 -17.31 60.16 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 114.893 -1.049 . . . . 71.530000000000001 111.367 -178.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.435 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 2.8 t-20 -62.44 -54.49 39.35 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.987 0.805 . . . . 52.140000000000001 110.356 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -61.68 -37.64 84.86 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.734 0.814 . . . . 64.420000000000002 110.633 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 82' ' ' LEU . 78.8 mt -64.03 -42.04 97.22 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.34 -0.845 . . . . 62.140000000000001 110.743 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.617 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 32.9 tt0 -69.78 -32.79 71.47 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.747 0.654 . . . . 74.299999999999997 110.68 -174.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 88' ' ' ASN . 10.1 mm-40 -67.81 -54.54 18.29 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.73 -0.841 . . . . 74.430000000000007 108.73 173.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -58.12 -40.56 81.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.299 1.039 . . . . 63.119999999999997 112.549 -174.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -67.92 -28.84 67.83 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.767 0.427 . . . . 74.420000000000002 111.252 -176.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -64.46 -38.22 90.27 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 110.125 -0.324 . . . . 72.329999999999998 110.125 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 4.1 mptp? -62.32 -51.49 67.46 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.56 -0.534 . . . . 71.310000000000002 109.56 175.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.434 HD12 HD12 ' A' ' 68' ' ' LEU . 46.0 mm -63.98 -34.08 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.89 0.876 . . . . 71.109999999999999 111.475 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -73.75 -31.8 63.52 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.474 0.71 . . . . 50.350000000000001 109.711 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.0 m -79.57 -15.65 57.31 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.558 0.743 . . . . 75.430000000000007 111.18 174.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 29.3 mt-30 -83.22 -12.44 56.83 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.602 0.761 . . . . 75.319999999999993 110.191 171.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.3 46.49 3.27 Favored Glycine 0 C--N 1.354 1.536 0 O-C-N 123.781 0.676 . . . . 75.310000000000002 112.773 172.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -134.77 152.45 51.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.296 0.638 . . . . 74.129999999999995 110.695 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 71.6 tt0 -80.74 102.36 9.88 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 108.838 -0.801 . . . . 75.450000000000003 108.838 176.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.4 p -121.65 126.75 75.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 C-N-CA 123.234 0.614 . . . . 23.449999999999999 109.877 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -113.75 140.12 48.54 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.208 0.603 . . . . 73.439999999999998 109.608 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.74 ' HE2' ' HB2' ' A' ' 87' ' ' GLU . 11.8 tmtt? -112.03 115.32 28.73 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.764 1.225 . . . . 52.439999999999998 108.31 -176.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 23.1 m -135.74 -177.79 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 124.878 1.271 . . . . 73.109999999999999 109.231 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 p -135.82 -44.49 0.66 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.703 0.801 . . . . 75.150000000000006 111.025 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -91.16 166.86 12.74 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 113.038 0.755 . . . . 72.209999999999994 113.038 -171.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.2 -58.68 3.5 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 113.991 -1.458 . . . . 61.420000000000002 110.892 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -63.49 -28.92 70.29 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.349 0.66 . . . . 70.099999999999994 111.807 -176.323 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -69.8 -46.79 64.93 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.455 1.102 . . . . 74.420000000000002 110.527 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.533 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -62.06 -41.19 97.89 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.226 -0.897 . . . . 71.329999999999998 111.535 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.99 -33.94 74.02 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.897 0.879 . . . . 74.409999999999997 111.836 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 61.7 mttp -60.62 -50.98 71.33 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 123.602 0.564 . . . . 60.030000000000001 109.719 173.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.5 mm -68.43 -34.47 65.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.381 -1.282 . . . . 74.150000000000006 112.05 -170.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 113' ' ' ALA . 97.9 t -57.11 -48.45 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.416 -0.587 . . . . 71.109999999999999 109.416 174.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.514 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 38.4 mtt180 -65.49 -34.68 78.83 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.059 -0.973 . . . . 63.210000000000001 111.349 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 7.7 mm-40 -62.81 -46.21 89.0 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.047 0.539 . . . . 70.450000000000003 110.344 175.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.409 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 16.1 m-30 -57.35 -40.47 78.13 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.586 -0.734 . . . . 71.450000000000003 111.479 176.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 84.6 mtp -68.09 -23.08 64.89 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.009 0.923 . . . . 70.129999999999995 111.578 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 78.1 mm-40 -74.68 -51.84 13.26 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.035 0.534 . . . . 74.030000000000001 110.563 176.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -29.75 70.58 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.552 -0.749 . . . . 53.020000000000003 109.926 178.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -70.34 -39.17 74.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.976 0.91 . . . . 71.099999999999994 110.138 176.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.76 -21.48 71.17 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 115.645 -0.707 . . . . 73.319999999999993 112.815 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.8 m -79.24 -20.28 48.57 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.614 0.765 . . . . 51.119999999999997 111.215 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.505 HD12 HG12 ' A' ' 3' ' ' ILE . 69.8 mt . . . . . 0 N--CA 1.486 1.363 0 C-N-CA 123.46 0.704 . . . . 75.299999999999997 111.27 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.916 -0.402 . . . . 60.149999999999999 109.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -111.94 149.41 31.96 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.354 0.661 . . . . 74.109999999999999 109.807 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.499 HG21 ' HB1' ' A' ' 124' ' ' ALA . 63.0 mt -115.97 125.45 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.727 0.811 . . . . 71.540000000000006 109.282 -179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.504 HD11 HD22 ' A' ' 45' ' ' LEU . 10.6 mp -124.38 138.25 54.39 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.223 0.609 . . . . 73.310000000000002 109.607 172.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.9 mt -122.38 111.96 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 107.437 -1.319 . . . . 74.030000000000001 107.437 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.434 HD21 ' SD ' ' A' ' 67' ' ' MET . 79.2 mt -86.51 134.69 33.65 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.541 0.736 . . . . 53.439999999999998 109.211 -177.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.7 mm -123.52 122.26 64.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 N-CA-C 108.229 -1.026 . . . . 64.420000000000002 108.229 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -132.09 103.96 6.55 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.308 -0.997 . . . . 73.540000000000006 108.308 171.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 t -128.43 143.78 51.04 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 123.363 0.665 . . . . 70.329999999999998 110.179 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -80.92 -15.67 55.65 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.276 -0.875 . . . . 73.299999999999997 111.129 -175.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -108.12 127.7 54.03 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.99 -0.745 . . . . 75.409999999999997 108.99 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.41 -23.08 61.04 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.555 1.142 . . . . 53.329999999999998 111.788 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -60.73 -43.72 97.55 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.173 0.989 . . . . 64.409999999999997 110.609 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 110' ' ' ASP . 36.3 tp -64.13 -40.67 96.67 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.844 -1.071 . . . . 73.420000000000002 111.485 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.517 HD13 ' HE2' ' A' ' 57' ' ' LYS . 82.2 mt -52.61 -49.73 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.766 0.827 . . . . 73.439999999999998 110.703 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -56.82 -41.33 77.63 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.574 1.171 . . . . 72.140000000000001 111.215 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 44.5 mtpt -71.41 -44.07 65.6 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.263 -0.88 . . . . 74.319999999999993 110.872 -177.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.2 mt -59.55 -40.1 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 123.79 0.836 . . . . 74.209999999999994 110.178 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -58.95 -48.86 80.02 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.17 -0.923 . . . . 74.409999999999997 110.341 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -63.49 -36.53 84.07 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.433 0.293 . . . . 74.209999999999994 111.74 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 8.4 mm-40 -56.69 -50.76 71.18 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.556 0.743 . . . . 74.109999999999999 110.755 174.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.613 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 11.6 m -81.48 -22.71 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 115.181 -0.918 . . . . 74.439999999999998 112.072 -174.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -72.34 -39.21 68.31 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.417 0.687 . . . . 61.32 110.413 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -67.05 -14.38 62.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.881 0.473 . . . . 63.130000000000003 111.208 172.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -113.56 8.65 17.77 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.756 0.822 . . . . 75.409999999999997 111.626 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 37.07 56.2 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 115.423 0.929 . . . . 65.230000000000004 115.423 168.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.613 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 6.0 m-85 -95.09 139.89 30.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.559 0.744 . . . . 72.219999999999999 109.848 174.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -88.38 112.55 23.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.936 0.894 . . . . 72.140000000000001 109.708 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.8 t -85.76 132.13 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 109.173 -0.677 . . . . 73.209999999999994 109.173 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.559 HH11 HG22 ' A' ' 32' ' ' VAL . 2.8 tmt_? -127.93 121.81 30.85 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.668 0.787 . . . . 73.219999999999999 109.407 175.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -80.8 137.36 36.22 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 125.013 1.325 . . . . 63.539999999999999 110.906 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.559 HG22 HH11 ' A' ' 30' ' ' ARG . 21.6 t -132.38 115.05 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.963 0.905 . . . . 71.209999999999994 109.541 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -110.47 -54.03 2.63 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.761 0.424 . . . . 65.340000000000003 110.649 176.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -88.86 157.99 18.26 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.232 0.613 . . . . 70.519999999999996 111.698 -171.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.6 m -64.1 -32.52 74.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.228 1.011 . . . . 62.43 109.967 167.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 20.1 t70 -64.73 -43.35 93.69 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.654 -1.157 . . . . 65.120000000000005 109.752 174.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -70.14 -26.68 64.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.497 0.319 . . . . 64.400000000000006 111.776 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.512 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 56.3 tp -61.42 -55.36 32.22 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 123.579 0.549 . . . . 73.310000000000002 109.846 173.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 1.6 pptp? -65.68 -31.95 73.24 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 122.415 -0.178 . . . . 72.510000000000005 111.368 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -50.57 -48.71 57.44 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.028 0.931 . . . . 74.420000000000002 111.007 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 6.8 pt-20 -78.21 -36.61 46.98 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.629 -0.714 . . . . 61.420000000000002 109.979 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.523 ' SD ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -54.9 -43.13 72.96 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.529 0.731 . . . . 72.129999999999995 112.518 -175.224 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 4.8 mptp? -61.41 -43.55 98.68 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.665 0.603 . . . . 72.340000000000003 110.036 174.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -68.21 -32.51 72.77 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.76 0.824 . . . . 75.019999999999996 111.981 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.2 mt -75.05 -36.77 61.81 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.526 0.73 . . . . 74.099999999999994 110.123 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.71 -48.74 63.08 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.002 -0.999 . . . . 44.409999999999997 111.321 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -78.12 -65.72 0.94 Allowed 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.622 0.577 . . . . 61.340000000000003 110.351 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -77.71 87.58 3.98 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.21 -1.033 . . . . 74.129999999999995 108.21 175.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -91.67 13.37 18.24 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.664 -1.153 . . . . 74.120000000000005 109.742 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -51.71 135.89 28.3 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.177 1.391 . . . . 62.039999999999999 110.504 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -60.98 102.82 0.22 Allowed 'General case' 0 C--O 1.238 0.474 0 O-C-N 124.423 1.077 . . . . 61.329999999999998 109.52 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -141.29 132.94 27.14 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.346 -0.843 . . . . 64.319999999999993 109.408 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HB2' ' HZ2' ' A' ' 53' ' ' LYS . 7.9 mtmp? -91.77 84.55 5.43 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 124.591 1.182 . . . . 73.150000000000006 108.93 -178.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.2 mt -95.91 129.4 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 122.403 0.281 . . . . 73.209999999999994 110.719 -176.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.549 HD22 HG21 ' A' ' 22' ' ' VAL . 16.0 tp -97.68 114.9 26.97 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.505 -1.294 . . . . 64.530000000000001 107.505 167.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.42 ' HB ' HD23 ' A' ' 6' ' ' LEU . 44.9 mm -90.9 114.96 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 109.252 -0.648 . . . . 73.109999999999999 109.252 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.517 ' HE2' HD13 ' A' ' 15' ' ' ILE . 14.3 tmtt? -94.11 123.85 37.75 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.212 1.005 . . . . 72.430000000000007 108.632 174.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.575 ' HB3' HD11 ' A' ' 64' ' ' LEU . 35.7 t -151.63 173.81 14.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.318 0.647 . . . . 75.219999999999999 109.9 175.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -136.49 10.22 3.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.095 0.958 . . . . 63.420000000000002 111.211 -174.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -127.5 109.18 11.47 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.906 -0.776 . . . . 52.240000000000002 108.906 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -52.62 -35.95 55.51 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.696 1.199 . . . . 74.340000000000003 112.701 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -71.7 -39.78 69.94 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 118.961 -0.542 . . . . 74.400000000000006 110.069 -170.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.2 mt -53.84 -41.25 67.22 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 123.803 0.689 . . . . 44.210000000000001 110.924 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.575 HD11 ' HB3' ' A' ' 58' ' ' SER . 9.2 mp -69.17 -43.92 73.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.534 -0.757 . . . . 71.109999999999999 111.258 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 20.6 ttpp -66.22 -44.7 83.07 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.64 0.376 . . . . 75.219999999999999 109.997 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.61 -31.25 72.18 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.0 1.32 . . . . 63.350000000000001 111.434 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.509 ' HB2' HD11 ' A' ' 38' ' ' LEU . 47.9 ttm -63.44 -46.72 84.98 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 108.737 -0.838 . . . . 45.32 108.737 174.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 71' ' ' ILE . 77.9 mt -71.99 -20.42 61.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.337 1.055 . . . . 62.32 112.261 -176.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 69.1 mm-40 -65.96 -35.74 81.42 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 109.656 -0.498 . . . . 71.319999999999993 109.656 170.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.523 HD12 ' SD ' ' A' ' 42' ' ' MET . 34.1 mt -86.17 -30.8 22.18 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.886 -0.597 . . . . 73.230000000000004 111.567 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.499 HD12 HD23 ' A' ' 68' ' ' LEU . 64.5 mt -71.44 -29.24 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 123.074 0.549 . . . . 60.43 110.548 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.1 p -62.15 -31.04 71.48 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.977 0.511 . . . . 42.200000000000003 111.19 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -65.4 -42.51 92.52 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.675 0.79 . . . . 75.450000000000003 110.311 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.0 mt -73.17 -38.41 66.19 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.495 -1.229 . . . . 60.299999999999997 110.792 -177.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.89 48.0 51.34 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-N 115.42 -0.809 . . . . 62.509999999999998 114.079 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.4 ' CE1' HD13 ' A' ' 4' ' ' LEU . 44.1 p90 -111.04 168.45 9.49 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 117.477 0.639 . . . . 71.319999999999993 109.834 165.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -94.79 128.04 41.23 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.689 0.796 . . . . 74.5 110.619 -170.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 49.5 t -123.67 147.72 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.78 1.232 . . . . 73.329999999999998 109.806 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -121.12 123.67 42.88 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.08 1.352 . . . . 73.319999999999993 108.352 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.406 HD23 HG13 ' A' ' 97' ' ' ILE . 27.2 tp -115.87 131.71 56.86 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.758 0.708 . . . . 71.310000000000002 111.078 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.456 HD21 ' HB1' ' A' ' 113' ' ' ALA . 33.4 tp -114.99 126.28 54.58 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.972 0.909 . . . . 74.239999999999995 109.458 173.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.443 ' HB3' HD13 ' A' ' 90' ' ' LEU . 91.5 mt -113.32 123.15 49.45 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.702 1.201 . . . . 74.319999999999993 108.732 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -139.75 111.57 7.36 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.802 0.441 . . . . 32.229999999999997 110.906 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.449 ' HB3' HD11 ' A' ' 90' ' ' LEU . 16.8 t0 -165.24 156.89 14.86 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.289 0.636 . . . . 71.230000000000004 109.44 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.43 -37.59 86.43 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.226 1.01 . . . . 63.240000000000002 110.168 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -88.59 60.35 5.57 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 123.002 1.382 . . . . 74.230000000000004 108.66 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.516 ' HB2' ' HD2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -71.58 -15.1 62.26 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 114.269 -1.332 . . . . 73.099999999999994 112.06 179.739 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.44 -43.49 93.1 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.644 0.777 . . . . 74.040000000000006 110.98 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.39 -29.19 62.45 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.171 0.588 . . . . 73.109999999999999 111.114 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 84' ' ' ASP . 92.8 mt -70.86 -25.25 62.73 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.34 0.656 . . . . 65.219999999999999 110.842 173.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.42 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 18.5 tp10 -71.94 -25.87 62.06 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 123.573 0.749 . . . . 75.430000000000007 109.941 176.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -82.06 -47.68 12.31 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.296 0.638 . . . . 75.340000000000003 110.465 171.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.431 ' O ' HG12 ' A' ' 97' ' ' ILE . 70.8 t80 -57.54 -42.6 83.24 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.362 1.065 . . . . 65.099999999999994 111.401 -173.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 91' ' ' GLU . 19.2 ptpt -57.33 -33.3 67.58 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.754 0.822 . . . . 64.430000000000007 111.958 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -74.6 -22.68 58.82 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.492 0.717 . . . . 75.430000000000007 111.014 -172.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -36.12 49.28 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.888 0.875 . . . . 70.319999999999993 109.229 174.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.486 HG23 HD13 ' A' ' 68' ' ' LEU . 40.4 mm -74.55 -37.01 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.047 0.939 . . . . 70.329999999999998 110.663 -176.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -70.13 -31.87 69.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 114.645 -1.161 . . . . 61.109999999999999 108.755 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -68.55 -36.94 79.47 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.678 0.791 . . . . 51.350000000000001 110.293 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -67.61 -24.93 65.53 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.373 0.669 . . . . 64.040000000000006 110.543 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.31 35.65 3.07 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.248 -0.433 . . . . 42.109999999999999 113.132 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -120.91 148.11 44.51 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.993 0.517 . . . . 74.310000000000002 110.508 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -74.09 123.46 24.45 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 108.441 -0.948 . . . . 64.120000000000005 108.441 175.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.3 p -138.08 143.77 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 O-C-N 123.917 0.76 . . . . 65.340000000000003 109.815 -175.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -138.3 158.11 44.94 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.232 1.013 . . . . 75.319999999999993 109.768 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.516 ' HD2' ' HB2' ' A' ' 87' ' ' GLU . 34.0 ttpt -125.5 141.68 51.91 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.055 -1.429 . . . . 75.200000000000003 108.707 177.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.4 m -144.39 169.86 8.72 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 C-N-CA 124.851 1.26 . . . . 74.420000000000002 109.486 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.8 p -129.13 -36.06 1.77 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.329 1.052 . . . . 73.140000000000001 109.985 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -95.58 155.83 16.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.18 0.592 . . . . 74.319999999999993 110.854 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 17.9 p-10 -72.99 -50.15 24.88 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.85 -1.068 . . . . 75.409999999999997 111.595 -175.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -67.46 -31.46 71.63 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.067 0.461 . . . . 51.210000000000001 110.41 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.498 ' O ' HG12 ' A' ' 116' ' ' ILE . 43.6 tt0 -62.99 -45.73 91.02 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.308 1.043 . . . . 72.319999999999993 109.915 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.14 -45.98 92.43 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.556 -0.747 . . . . 41.409999999999997 111.438 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 110' ' ' ASP . 80.2 mt -58.14 -38.22 76.14 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.017 0.927 . . . . 62.420000000000002 110.896 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 115' ' ' LYS . 37.8 ttmt -66.68 -39.26 88.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.199 1.4 . . . . 73.310000000000002 110.554 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 112' ' ' GLU . 42.5 mm -75.29 -33.33 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 123.359 0.664 . . . . 71.230000000000004 110.991 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 113' ' ' ALA . 87.7 t -56.95 -48.33 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 109.249 -0.649 . . . . 61.049999999999997 109.249 172.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 60.7 mtt180 -59.04 -38.38 79.19 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.161 0.913 . . . . 74.239999999999995 110.938 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -59.84 -55.52 33.17 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.739 0.65 . . . . 72.409999999999997 110.665 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.407 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.9 m-85 -51.9 -40.18 60.26 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.156 0.982 . . . . 71.510000000000005 112.224 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 78.4 mtp -67.94 -23.94 65.13 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.441 1.096 . . . . 72.319999999999993 112.501 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 118' ' ' ARG . 66.1 mt-30 -71.89 -46.08 59.01 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.53 0.732 . . . . 63.399999999999999 110.361 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -29.17 62.46 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.416 -0.811 . . . . 73.129999999999995 109.779 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.499 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -65.18 -46.13 82.02 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.986 0.803 . . . . 75.329999999999998 110.16 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.77 -38.6 96.41 Favored Glycine 0 C--N 1.347 1.18 0 CA-C-N 115.517 -0.765 . . . . 74.030000000000001 112.941 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 79.7 p -70.49 -17.34 62.96 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.598 0.592 . . . . 70.420000000000002 112.598 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 113.723 1.008 . . . . 75.0 113.723 -178.055 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.012 -0.366 . . . . 60.109999999999999 110.012 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.5 161.07 37.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.675 1.19 . . . . 61.240000000000002 108.117 169.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.568 HD13 ' HB1' ' A' ' 124' ' ' ALA . 66.9 mt -119.02 103.67 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.083 -1.08 . . . . 71.209999999999994 108.083 174.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.413 ' HB2' HG22 ' A' ' 78' ' ' VAL . 10.9 mp -103.54 141.98 35.08 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.3 -0.629 . . . . 72.219999999999999 109.3 175.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.9 mt -119.81 113.69 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 107.149 -1.426 . . . . 74.140000000000001 107.149 169.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.656 ' HB3' HD23 ' A' ' 64' ' ' LEU . 93.2 mt -88.88 125.93 35.15 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.625 -0.88 . . . . 74.019999999999996 108.625 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -115.11 116.08 51.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 108.575 -0.898 . . . . 73.25 108.575 176.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -124.41 102.14 7.51 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 106.954 -1.498 . . . . 63.020000000000003 106.954 171.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.488 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 7.7 t -130.41 144.24 51.27 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.525 -0.762 . . . . 74.400000000000006 109.291 173.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -78.16 -21.1 50.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.531 -0.759 . . . . 52.219999999999999 110.596 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -102.98 109.9 21.62 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.463 0.649 . . . . 74.209999999999994 109.918 171.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.75 -22.13 66.57 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.548 1.139 . . . . 74.420000000000002 111.505 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.24 -40.09 64.32 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.779 1.231 . . . . 75.329999999999998 111.963 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.37 -36.72 85.05 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 114.833 -1.076 . . . . 64.209999999999994 111.329 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.486 HD13 ' HG2' ' A' ' 57' ' ' LYS . 54.7 mt -66.79 -29.22 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.378 0.671 . . . . 61.119999999999997 111.179 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -58.96 -31.56 68.83 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.501 0.667 . . . . 63.530000000000001 110.349 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 93.5 mttt -81.37 -52.1 7.64 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.316 -1.311 . . . . 74.349999999999994 110.144 175.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.29 -38.07 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 C-N-CA 124.182 0.993 . . . . 73.400000000000006 112.819 -173.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HE3' HG11 ' A' ' 29' ' ' VAL . 57.4 mtpt -61.6 -47.64 84.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.211 0.604 . . . . 72.239999999999995 109.59 176.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -64.45 -34.09 77.4 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.722 0.639 . . . . 72.150000000000006 111.637 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 14.0 mm-40 -61.0 -51.56 68.7 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 123.767 0.667 . . . . 33.340000000000003 110.351 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.616 HG11 HD13 ' A' ' 55' ' ' LEU . 23.3 m -74.88 -22.62 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 115.981 -0.554 . . . . 73.239999999999995 111.978 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.4 -30.18 71.03 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.106 0.562 . . . . 70.230000000000004 111.424 174.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -63.74 -33.87 76.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.646 0.379 . . . . 63.420000000000002 111.202 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -89.57 -2.13 58.24 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.55 0.74 . . . . 55.25 111.709 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.71 38.2 43.48 Favored Glycine 0 C--N 1.344 1.007 0 O-C-N 123.022 0.202 . . . . 72.430000000000007 113.1 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -78.98 140.76 37.94 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.117 0.484 . . . . 73.239999999999995 110.285 171.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -78.92 112.48 16.13 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.773 -1.195 . . . . 62.549999999999997 107.773 168.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.51 HG11 ' HE3' ' A' ' 19' ' ' LYS . 38.4 t -93.43 118.12 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.532 -0.544 . . . . 64.409999999999997 109.532 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -114.02 128.35 56.35 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.193 1.397 . . . . 65.439999999999998 109.403 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -104.94 112.69 25.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.971 0.908 . . . . 71.019999999999996 108.746 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -87.06 114.39 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.484 0.714 . . . . 72.450000000000003 109.565 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.448 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 31.1 m-80 -94.42 -17.43 22.5 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.65 0.78 . . . . 64.420000000000002 112.511 -174.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -164.46 174.45 10.95 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 117.822 0.283 . . . . 72.439999999999998 111.404 -170.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.0 p -68.73 -34.15 75.13 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.906 0.882 . . . . 71.010000000000005 111.017 173.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -45.13 95.32 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 122.952 0.501 . . . . 71.099999999999994 110.077 172.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 8.5 mm-40 -54.46 -46.91 73.44 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 123.934 0.771 . . . . 61.32 110.867 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 50.4 tp -56.01 -58.23 8.79 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.89 1.369 . . . . 63.109999999999999 111.689 -178.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -36.88 84.61 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 119.463 -0.303 . . . . 70.129999999999995 110.731 -175.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -55.3 -50.5 69.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.537 0.735 . . . . 72.310000000000002 111.453 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 9.2 pt-20 -73.57 -27.71 61.46 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.492 0.495 . . . . 73.200000000000003 110.744 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.467 ' HE3' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -62.01 -40.01 94.23 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.814 0.446 . . . . 75.109999999999999 111.447 177.004 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -60.2 -37.46 80.35 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.749 0.419 . . . . 75.120000000000005 110.312 173.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 11.2 mmpt? -71.57 -36.78 71.01 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.379 0.672 . . . . 62.539999999999999 110.91 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 71.3 mt -75.23 -22.51 57.86 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.89 0.476 . . . . 72.540000000000006 110.932 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.74 -50.02 7.06 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.577 0.751 . . . . 42.340000000000003 112.54 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -82.33 -52.54 6.82 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.555 0.742 . . . . 62.420000000000002 111.247 -172.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -74.05 97.51 2.89 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.791 -1.189 . . . . 74.230000000000004 107.791 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -85.78 25.32 1.11 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.194 0.997 . . . . 63.329999999999998 112.277 -171.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -68.24 139.07 56.0 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.297 0.639 . . . . 72.530000000000001 110.444 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -73.55 106.17 5.21 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 108.254 -1.017 . . . . 73.329999999999998 108.254 169.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -129.2 139.65 51.79 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.079 0.466 . . . . 64.120000000000005 110.195 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -93.47 113.45 25.6 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.988 -1.486 . . . . 72.430000000000007 106.988 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.1 mt -124.49 130.52 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.139 0.576 . . . . 65.239999999999995 110.916 -173.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.616 HD13 HG11 ' A' ' 22' ' ' VAL . 21.2 tp -90.63 140.71 29.5 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.328 -0.99 . . . . 74.150000000000006 108.328 166.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.3 mm -117.19 121.78 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.357 0.663 . . . . 73.549999999999997 109.519 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.486 ' HG2' HD13 ' A' ' 15' ' ' ILE . 6.9 tmtm? -98.98 116.07 30.37 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.404 1.082 . . . . 62.119999999999997 108.125 173.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -157.33 168.94 25.9 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.271 0.628 . . . . 61.240000000000002 109.522 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -134.24 -29.17 1.26 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.831 0.853 . . . . 61.240000000000002 109.976 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.51 98.41 1.45 Allowed 'General case' 0 C--N 1.348 0.512 0 C-N-CA 122.601 0.36 . . . . 74.140000000000001 110.198 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -48.53 -30.12 4.91 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.168 1.387 . . . . 72.349999999999994 113.311 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -59.33 -49.07 79.24 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.5 0.72 . . . . 62.350000000000001 109.363 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.8 mt -61.06 -41.8 97.29 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.714 0.806 . . . . 53.310000000000002 112.07 -175.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.656 HD23 ' HB3' ' A' ' 6' ' ' LEU . 6.3 mp -68.83 -39.57 79.9 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.516 0.51 . . . . 72.040000000000006 110.994 -176.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 61.0 tttm -71.14 -45.73 62.98 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 109.639 -0.504 . . . . 73.510000000000005 109.639 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -61.12 -29.63 69.88 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.968 0.907 . . . . 74.140000000000001 111.552 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.462 ' SD ' HD21 ' A' ' 6' ' ' LEU . 49.7 ttm -65.0 -48.75 72.83 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.937 -0.764 . . . . 75.409999999999997 108.937 173.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.423 HD13 HG23 ' A' ' 97' ' ' ILE . 88.6 mt -69.53 -23.66 63.62 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.109 0.964 . . . . 55.420000000000002 112.818 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 16.0 mm-40 -64.05 -41.01 97.53 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.226 -0.657 . . . . 74.420000000000002 109.226 173.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.7 mt -82.84 -32.68 27.38 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.148 -0.933 . . . . 44.420000000000002 110.856 -177.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.611 HD13 HG21 ' A' ' 78' ' ' VAL . 73.6 mt -68.6 -32.89 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.631 0.773 . . . . 75.329999999999998 110.563 177.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -62.91 -24.29 67.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.907 0.483 . . . . 74.140000000000001 111.084 176.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -80.64 -39.89 26.54 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.242 0.617 . . . . 74.299999999999997 109.771 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.5 -30.76 66.33 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.8 0.84 . . . . 71.439999999999998 112.222 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.53 74.0 0.85 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.859 -0.609 . . . . 62.200000000000003 113.427 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -154.2 157.01 38.16 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.016 0.526 . . . . 65.299999999999997 110.776 167.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 127' ' ' LEU . 3.1 tmtm? -84.79 130.48 34.67 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 115.435 -0.802 . . . . 73.430000000000007 109.365 -172.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.611 HG21 HD13 ' A' ' 71' ' ' ILE . 94.7 t -127.45 142.57 43.24 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 C-N-CA 124.191 0.996 . . . . 70.209999999999994 109.482 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -97.83 160.66 14.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.614 1.165 . . . . 71.420000000000002 109.255 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.8 tp -147.0 141.74 26.75 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.482 0.713 . . . . 72.040000000000006 109.395 177.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.494 HD13 HG21 ' A' ' 116' ' ' ILE . 50.8 tp -132.0 120.02 21.86 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.144 0.978 . . . . 73.109999999999999 108.972 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.496 ' HB3' HD22 ' A' ' 90' ' ' LEU . 89.3 mt -110.97 104.75 13.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.499 1.12 . . . . 74.510000000000005 108.724 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.488 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -115.3 111.82 21.47 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 123.148 0.579 . . . . 34.219999999999999 111.26 -175.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.463 ' HB3' HD11 ' A' ' 90' ' ' LEU . 38.2 t70 -168.69 158.02 8.89 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.086 -0.961 . . . . 75.450000000000003 109.347 176.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -59.09 -47.61 84.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.846 0.858 . . . . 71.549999999999997 109.772 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -82.22 103.55 11.9 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.475 -0.565 . . . . 53.009999999999998 109.475 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -87.53 -13.6 42.54 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.397 0.679 . . . . 60.229999999999997 111.92 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -57.92 -49.53 76.45 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.636 0.774 . . . . 64.239999999999995 110.733 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -45.46 81.8 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 115.039 -0.982 . . . . 74.439999999999998 109.858 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 82' ' ' LEU . 88.5 mt -65.79 -28.89 69.35 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.059 -0.973 . . . . 73.230000000000004 112.013 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 29.4 tt0 -64.33 -53.99 40.04 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 123.211 0.604 . . . . 61.32 110.426 -176.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.411 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -53.24 -45.51 68.77 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.468 1.105 . . . . 62.509999999999998 110.031 -178.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.457 ' HD2' HD11 ' A' ' 82' ' ' LEU . 55.8 t80 -61.03 -55.17 35.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.13 0.972 . . . . 73.099999999999994 110.83 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -68.51 -23.23 64.52 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.829 0.677 . . . . 74.109999999999999 112.829 -171.201 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 79.7 mtp180 -64.71 -42.01 95.58 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.568 0.347 . . . . 75.299999999999997 110.683 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -70.0 -44.45 69.35 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.357 -0.838 . . . . 53.32 109.905 179.31 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.423 HG23 HD13 ' A' ' 68' ' ' LEU . 41.6 mm -61.63 -44.66 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.963 0.905 . . . . 72.439999999999998 111.124 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.69 -33.43 74.9 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.38 -0.827 . . . . 64.340000000000003 110.953 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -73.3 -24.56 60.42 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.819 -0.628 . . . . 73.099999999999994 110.609 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -77.02 -4.28 43.36 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.499 0.72 . . . . 72.409999999999997 111.662 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.55 19.05 53.63 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-O 120.407 -0.107 . . . . 70.340000000000003 112.891 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -105.69 136.22 45.69 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.506 0.722 . . . . 53.539999999999999 109.255 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -78.44 129.19 34.63 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 109.323 -0.621 . . . . 75.450000000000003 109.323 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.45 HG13 ' HE2' ' A' ' 94' ' ' LYS . 2.8 p -140.66 126.71 20.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 121.2 0.524 . . . . 63.009999999999998 111.017 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -107.44 142.06 37.88 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.728 0.811 . . . . 75.209999999999994 109.815 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.83 126.16 52.32 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 106.91 -1.515 . . . . 73.019999999999996 106.91 169.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.3 m -131.25 166.61 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.648 0.779 . . . . 73.109999999999999 109.88 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.2 p -123.06 -38.4 2.6 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.645 0.778 . . . . 72.129999999999995 110.427 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.73 157.46 20.28 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.17 0.509 . . . . 71.230000000000004 111.566 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.99 -56.29 8.26 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.636 -1.166 . . . . 73.239999999999995 109.74 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.87 -34.29 77.06 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.492 -0.776 . . . . 73.239999999999995 110.938 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 116' ' ' ILE . 64.2 tt0 -64.93 -40.25 94.75 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 123.563 0.745 . . . . 63.43 110.019 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.42 96.23 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.592 0.357 . . . . 73.510000000000005 111.399 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.401 HD11 ' HD3' ' A' ' 17' ' ' LYS . 96.7 mt -62.28 -43.46 98.78 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.642 0.777 . . . . 64.209999999999994 112.022 -177.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -69.09 -31.32 69.95 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 123.435 0.459 . . . . 65.340000000000003 110.654 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.8 mm -67.16 -40.64 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.485 0.714 . . . . 72.140000000000001 110.727 177.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 84.9 t -62.4 -40.36 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.242 0.617 . . . . 65.230000000000004 109.795 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 91.8 mtt180 -68.15 -22.86 64.83 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.445 -0.798 . . . . 75.349999999999994 111.58 176.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.445 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 56.8 mt-10 -75.52 -53.18 9.06 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 110.097 -0.334 . . . . 71.420000000000002 110.097 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -49.73 -42.38 45.99 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.565 1.146 . . . . 73.209999999999994 112.718 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 19.8 ptp -69.55 -22.04 63.58 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.452 0.701 . . . . 72.450000000000003 112.69 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 9.1 mm100 -80.47 -45.54 17.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.787 0.435 . . . . 65.430000000000007 110.545 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.445 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 3.4 mptp? -63.64 -31.6 72.82 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 109.836 -0.431 . . . . 71.140000000000001 109.836 176.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.568 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -51.78 -45.86 63.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.948 1.299 . . . . 54.25 112.465 177.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.45 -38.02 95.23 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 116.06 -0.518 . . . . 45.439999999999998 112.543 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.7 m -67.54 -34.37 76.94 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.396 0.678 . . . . 73.319999999999993 110.508 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 77' ' ' LYS . 92.4 mt . . . . . 0 N--CA 1.481 1.085 0 C-N-CA 123.791 0.836 . . . . 74.049999999999997 111.338 176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.457 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 13.7 tpt . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.86 -0.422 . . . . 73.329999999999998 109.86 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -91.05 137.49 32.33 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 109.111 -0.699 . . . . 61.439999999999998 109.111 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.54 HD12 ' HG2' ' A' ' 53' ' ' LYS . 55.6 mt -105.97 118.0 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.382 -0.599 . . . . 65.319999999999993 109.382 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.693 HD21 HD13 ' A' ' 45' ' ' LEU . 8.7 mp -115.37 133.31 56.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.595 0.758 . . . . 54.240000000000002 110.424 174.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.1 mt -113.08 107.46 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 N-CA-C 107.359 -1.349 . . . . 64.420000000000002 107.359 160.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.506 HD23 ' HB ' ' A' ' 56' ' ' ILE . 89.6 mt -86.06 111.44 20.32 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.42 -0.956 . . . . 72.340000000000003 108.42 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.475 HG13 HG21 ' A' ' 18' ' ' ILE . 38.9 mm -108.81 118.92 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 108.894 -0.78 . . . . 71.120000000000005 108.894 174.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -126.53 106.91 9.77 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.113 0.965 . . . . 73.420000000000002 108.673 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.503 HG21 ' HB3' ' A' ' 14' ' ' LEU . 11.9 t -129.37 147.11 51.16 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 123.091 0.557 . . . . 75.450000000000003 110.137 171.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -75.23 -38.73 60.48 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 109.239 -0.652 . . . . 70.400000000000006 109.239 171.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -82.59 84.25 7.32 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.618 0.723 . . . . 63.509999999999998 110.039 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -50.03 -29.2 8.25 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 126.552 1.941 . . . . 53.240000000000002 114.297 -173.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.651 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 23.3 mm-40 -55.79 -31.21 62.44 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.867 0.867 . . . . 63.310000000000002 111.997 -178.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' HB3' HG21 ' A' ' 9' ' ' THR . 56.1 tp -60.4 -48.36 82.08 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.334 1.054 . . . . 71.010000000000005 111.654 177.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.576 HG21 ' HG2' ' A' ' 57' ' ' LYS . 17.5 mt -69.68 -33.33 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 O-C-N 122.954 0.159 . . . . 74.239999999999995 110.759 -175.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 57.0 mtpt -55.12 -28.38 52.24 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.281 0.632 . . . . 74.120000000000005 111.107 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -83.44 -46.58 12.34 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.492 1.117 . . . . 62.450000000000003 110.494 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.475 HG21 HG13 ' A' ' 7' ' ' ILE . 75.6 mt -57.7 -31.84 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 124.721 1.209 . . . . 73.340000000000003 111.684 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HE3' HG11 ' A' ' 29' ' ' VAL . 53.4 mtpt -63.51 -43.69 96.45 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.535 0.734 . . . . 64.430000000000007 110.212 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -66.57 -38.18 86.53 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.112 -0.494 . . . . 72.349999999999994 110.065 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -57.86 -51.71 68.48 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.652 0.781 . . . . 73.219999999999999 110.92 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.578 HG11 HD13 ' A' ' 55' ' ' LEU . 19.8 m -72.91 -27.25 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 115.25 -0.886 . . . . 70.420000000000002 111.777 -173.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.94 -34.02 74.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.09 0.556 . . . . 72.239999999999995 111.555 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -62.93 -34.09 76.73 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.782 0.433 . . . . 53.409999999999997 110.821 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -93.87 -0.45 55.73 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.425 0.69 . . . . 55.32 111.614 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.23 37.82 11.96 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-N 116.257 -0.429 . . . . 72.450000000000003 114.05 171.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CE1' ' HE2' ' A' ' 53' ' ' LYS . 44.6 m-85 -88.33 137.36 32.4 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.68 0.392 . . . . 75.200000000000003 110.622 173.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -80.84 114.76 19.95 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 108.259 -1.015 . . . . 75.200000000000003 108.259 167.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.49 HG11 ' HE3' ' A' ' 19' ' ' LYS . 48.6 t -82.27 127.34 39.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 109.286 -0.635 . . . . 54.039999999999999 109.286 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -132.63 118.7 19.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.873 1.269 . . . . 74.340000000000003 107.723 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -110.23 114.67 28.34 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.613 0.765 . . . . 62.409999999999997 112.338 -169.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -73.14 110.16 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 C-N-CA 124.048 0.939 . . . . 62.420000000000002 109.588 174.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.458 ' H ' ' HG3' ' A' ' 37' ' ' GLU . 31.0 m-80 -100.6 -26.67 13.75 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.952 0.901 . . . . 74.530000000000001 110.202 173.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.4 172.88 12.33 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.001 0.921 . . . . 74.019999999999996 110.702 -171.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.6 m -69.15 -30.21 68.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.172 -0.922 . . . . 74.329999999999998 110.168 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -66.84 -44.74 80.26 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.421 0.688 . . . . 75.340000000000003 110.307 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.458 ' HG3' ' H ' ' A' ' 33' ' ' ASN . 15.3 mm-40 -54.34 -49.31 70.06 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 124.119 0.887 . . . . 73.019999999999996 110.077 173.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' ' 42' ' ' MET . 45.0 tp -54.74 -58.49 7.33 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 125.186 1.554 . . . . 73.519999999999996 111.668 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -41.76 89.88 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 119.065 -0.493 . . . . 75.519999999999996 111.214 -174.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -57.34 -46.23 83.51 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.467 0.307 . . . . 60.009999999999998 111.284 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.7 pt-20 -74.14 -26.87 60.56 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.369 -0.378 . . . . 71.140000000000001 110.832 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' A' ' 38' ' ' LEU . 29.0 mtp -70.81 -21.27 62.49 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.121 0.415 . . . . 63.200000000000003 112.121 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -47.64 85.06 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.577 -0.897 . . . . 72.049999999999997 108.577 164.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -72.6 -14.98 61.74 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.412 1.085 . . . . 75.310000000000002 113.331 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.693 HD13 HD21 ' A' ' 4' ' ' LEU . 53.7 mt -87.44 -41.89 13.21 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.763 0.316 . . . . 63.25 110.741 173.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.32 -54.75 3.56 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.429 1.27 . . . . 73.510000000000005 114.429 -166.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -85.04 11.74 9.01 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 115.009 1.485 . . . . 71.209999999999994 115.009 -158.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -133.57 -34.65 1.03 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.071 -0.714 . . . . 74.219999999999999 109.071 161.037 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt 61.14 20.01 10.55 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.957 1.303 . . . . 73.239999999999995 112.041 172.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.41 ' H ' ' HG2' ' A' ' 48' ' ' GLU . 26.2 p-10 -66.05 163.04 18.19 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.409 0.684 . . . . 72.540000000000006 111.526 -175.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.457 ' HA ' ' O ' ' A' ' 1' ' ' MET . 82.9 t80 -74.04 94.24 2.36 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.731 -0.668 . . . . 64.25 109.856 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -142.18 145.61 34.35 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 123.529 0.732 . . . . 74.109999999999999 109.355 170.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HG2' HD12 ' A' ' 3' ' ' ILE . 51.5 mtpt -95.79 114.41 26.15 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.585 1.154 . . . . 72.530000000000001 108.205 -175.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.8 mt -123.75 125.95 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.297 0.639 . . . . 60.399999999999999 110.106 -177.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.578 HD13 HG11 ' A' ' 22' ' ' VAL . 32.1 tp -85.94 118.2 25.27 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 107.586 -1.264 . . . . 74.140000000000001 107.586 165.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.506 ' HB ' HD23 ' A' ' 6' ' ' LEU . 36.2 mm -93.82 132.42 37.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 108.378 -0.971 . . . . 61.0 108.378 170.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.576 ' HG2' HG21 ' A' ' 15' ' ' ILE . 13.6 tmtt? -115.31 131.71 56.84 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.77 1.228 . . . . 73.030000000000001 107.992 -177.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.1 t -156.77 152.03 26.44 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.161 0.505 . . . . 62.200000000000003 110.33 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -105.79 -3.95 21.4 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.727 0.811 . . . . 44.329999999999998 110.165 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -121.5 131.52 54.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.303 0.641 . . . . 63.020000000000003 111.069 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -80.31 -20.05 45.18 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.328 1.451 . . . . 74.319999999999993 114.291 -175.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.92 -44.17 73.65 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 118.157 0.435 . . . . 71.400000000000006 110.09 -177.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 mt -54.76 -33.75 61.69 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.772 1.295 . . . . 74.030000000000001 111.851 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mp -74.73 -39.82 61.66 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.704 0.802 . . . . 61.409999999999997 111.346 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 54.6 mtmt -62.43 -45.7 91.92 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 110.225 -0.287 . . . . 51.229999999999997 110.225 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.29 -41.58 89.29 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.63 1.206 . . . . 62.299999999999997 110.808 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.48 ' SD ' HD21 ' A' ' 6' ' ' LEU . 37.8 ttm -62.84 -48.74 77.76 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.07 -0.968 . . . . 72.420000000000002 110.506 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.402 HD21 HG11 ' A' ' 78' ' ' VAL . 66.1 mt -65.13 -30.41 71.34 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.433 1.093 . . . . 63.32 112.934 -173.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 54.1 mt-10 -64.09 -37.4 87.3 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.844 0.458 . . . . 74.129999999999995 110.532 177.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 80.9 mt -81.53 -35.53 30.23 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.293 0.637 . . . . 54.210000000000001 110.654 178.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.55 -35.41 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 123.993 0.917 . . . . 74.0 110.555 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 t -56.38 -35.17 67.41 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.666 0.786 . . . . 64.439999999999998 111.353 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -76.62 -37.2 56.76 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 123.901 0.75 . . . . 71.530000000000001 109.761 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 36.0 mt -70.67 -41.21 72.38 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.362 1.065 . . . . 65.430000000000007 110.857 -176.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.51 83.85 0.19 Allowed Glycine 0 C--N 1.348 1.203 0 O-C-N 124.414 1.071 . . . . 42.43 113.164 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -154.4 169.05 24.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.268 0.627 . . . . 75.510000000000005 111.001 173.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -73.8 128.69 36.19 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.858 0.863 . . . . 63.140000000000001 111.286 -174.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.402 HG11 HD21 ' A' ' 68' ' ' LEU . 95.2 t -119.27 135.03 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.055 0.942 . . . . 72.120000000000005 109.823 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.73 106.93 14.44 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 108.081 -1.081 . . . . 75.230000000000004 108.081 174.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.529 ' HG ' HG23 ' A' ' 104' ' ' VAL . 19.0 tp -111.23 136.09 50.82 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.213 0.46 . . . . 64.099999999999994 110.002 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.552 HD13 HG21 ' A' ' 116' ' ' ILE . 42.6 tp -132.67 128.27 36.65 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.36 1.064 . . . . 34.149999999999999 109.322 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.41 HD11 ' HD1' ' A' ' 93' ' ' PHE . 61.3 mt -109.14 137.23 47.35 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.422 1.089 . . . . 75.430000000000007 108.203 176.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -148.26 118.55 7.32 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.515 0.326 . . . . 62.039999999999999 110.598 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.492 ' HB3' HD11 ' A' ' 90' ' ' LEU . 27.0 t70 -175.37 161.53 2.76 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.453 1.101 . . . . 65.329999999999998 108.857 173.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -62.59 -37.96 88.26 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.449 1.1 . . . . 71.400000000000006 111.864 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.76 77.98 5.22 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.72 0.771 . . . . 64.109999999999999 109.79 173.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.71 -15.77 58.05 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 114.645 -1.161 . . . . 74.120000000000005 111.436 -177.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -58.14 -57.82 11.15 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.851 0.861 . . . . 74.109999999999999 110.981 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -72.01 -28.53 63.45 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.578 -0.737 . . . . 74.140000000000001 111.327 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' ' 84' ' ' ASP . 83.2 mt -71.45 -31.89 67.7 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.742 0.651 . . . . 75.230000000000004 110.42 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.31 -45.98 85.53 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.931 -0.766 . . . . 73.209999999999994 108.931 175.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.17 -47.73 83.2 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.083 -0.962 . . . . 72.010000000000005 110.222 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.41 ' HD1' HD11 ' A' ' 82' ' ' LEU . 43.5 t80 -54.69 -51.43 65.56 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.695 1.198 . . . . 73.400000000000006 110.661 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -71.29 -22.59 61.93 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 115.716 -0.675 . . . . 71.430000000000007 111.566 -176.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -63.23 -43.97 96.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.331 0.252 . . . . 65.150000000000006 110.585 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -55.83 21.25 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.667 0.604 . . . . 62.009999999999998 109.889 176.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.529 HG22 ' HB2' ' A' ' 102' ' ' TYR . 38.2 mm -62.59 -37.71 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 124.002 0.814 . . . . 61.340000000000003 111.921 -170.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.01 -34.33 71.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.325 0.65 . . . . 73.420000000000002 110.499 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.8 t -74.17 -27.19 60.71 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.358 0.663 . . . . 34.0 110.395 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -76.56 -7.35 55.02 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.966 0.906 . . . . 72.430000000000007 111.405 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.81 21.25 19.21 Favored Glycine 0 C--N 1.347 1.194 0 CA-C-O 120.079 -0.289 . . . . 75.0 113.575 172.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.529 ' HB2' HG22 ' A' ' 97' ' ' ILE . 62.2 m-85 -106.24 146.8 29.86 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 109.507 -0.553 . . . . 73.420000000000002 109.507 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -77.19 116.02 17.46 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 108.456 -0.942 . . . . 71.439999999999998 108.456 173.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.529 HG23 ' HG ' ' A' ' 80' ' ' LEU . 3.6 p -138.35 127.63 32.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 CA-C-O 121.956 0.884 . . . . 74.239999999999995 110.136 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -112.53 150.98 30.54 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 114.243 -1.344 . . . . 70.239999999999995 107.895 177.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.441 ' NZ ' ' HB3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -133.32 115.01 14.39 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.313 -0.625 . . . . 72.230000000000004 109.313 -177.594 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 113' ' ' ALA . 25.2 m -124.72 -179.76 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.666 1.186 . . . . 61.530000000000001 110.418 -176.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.8 p -127.83 -49.65 1.36 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.23 1.012 . . . . 74.409999999999997 110.065 175.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.84 154.53 38.22 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.553 0.741 . . . . 63.409999999999997 112.285 -174.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.401 ' HA ' HD13 ' A' ' 14' ' ' LEU . 5.3 t70 -65.65 -54.68 24.26 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 114.403 -1.272 . . . . 60.210000000000001 110.654 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.96 -36.43 83.45 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 123.929 0.768 . . . . 74.349999999999994 110.879 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.527 ' O ' HG12 ' A' ' 116' ' ' ILE . 13.9 tp10 -64.51 -41.16 96.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.891 0.876 . . . . 72.409999999999997 110.242 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.431 ' HB2' HG21 ' A' ' 107' ' ' VAL . . . -68.7 -43.74 75.39 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.267 0.627 . . . . 23.510000000000002 112.545 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.47 -35.89 76.96 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.449 0.7 . . . . 64.519999999999996 110.514 178.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -60.58 -47.72 84.95 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 123.937 0.895 . . . . 75.530000000000001 109.703 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.552 HG21 HD13 ' A' ' 81' ' ' LEU . 45.1 mm -66.52 -31.99 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 123.93 0.769 . . . . 74.299999999999997 112.141 -175.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.15 -41.08 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.714 0.406 . . . . 73.239999999999995 110.03 172.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -73.16 -26.36 61.16 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.809 0.843 . . . . 75.209999999999994 111.085 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -63.62 -46.84 83.91 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.509 0.724 . . . . 74.340000000000003 109.069 171.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -59.16 -34.55 72.22 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.323 1.049 . . . . 71.219999999999999 111.881 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 24.6 mmt -61.29 -30.4 70.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.464 0.706 . . . . 71.310000000000002 112.196 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -66.53 -43.77 84.26 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.493 0.717 . . . . 42.439999999999998 110.58 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 11.1 mptt -78.9 -32.38 45.71 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.555 -0.748 . . . . 73.219999999999999 110.283 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.62 -37.25 70.93 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.593 0.757 . . . . 50.530000000000001 110.721 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.79 -39.96 95.42 Favored Glycine 0 C--N 1.346 1.094 0 CA-C-N 115.265 -0.88 . . . . 73.549999999999997 110.959 171.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.3 t -62.65 -24.55 67.67 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.102 0.961 . . . . 72.230000000000004 111.703 176.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 88.2 mt . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.335 -0.617 . . . . 71.439999999999998 109.335 174.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 107.843 -1.169 . . . . 60.130000000000003 107.843 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -155.16 119.26 4.63 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 109.758 -0.46 . . . . 54.43 109.758 -171.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.565 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 72.2 mt -99.35 117.06 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.604 0.762 . . . . 70.129999999999995 109.616 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.535 ' HB2' HG22 ' A' ' 78' ' ' VAL . 8.4 mp -112.0 146.82 37.2 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.032 0.933 . . . . 73.420000000000002 109.204 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.9 mt -123.62 106.43 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 107.206 -1.405 . . . . 62.240000000000002 107.206 166.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.408 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -85.53 132.58 34.17 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.187 0.995 . . . . 74.209999999999994 108.411 -178.011 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mm -127.45 117.73 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.041 -0.726 . . . . 64.5 109.041 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.586 ' HB2' HD21 ' A' ' 64' ' ' LEU . 52.1 t-20 -118.7 102.1 8.59 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 107.655 -1.239 . . . . 72.219999999999999 107.655 170.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.446 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.7 t -131.53 136.39 47.83 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.051 -0.722 . . . . 75.549999999999997 109.051 169.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -74.29 -15.58 60.96 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.542 0.737 . . . . 75.239999999999995 110.751 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -85.16 107.07 17.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.255 1.022 . . . . 73.540000000000006 109.631 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.593 ' HA ' HD12 ' A' ' 15' ' ' ILE . 30.2 m-20 -64.18 -34.95 79.26 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.463 0.705 . . . . 73.299999999999997 111.661 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -63.21 -38.72 92.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.295 0.638 . . . . 75.239999999999995 110.812 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 tp -71.23 -33.55 69.97 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.164 0.586 . . . . 64.450000000000003 110.495 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.66 HD13 ' HE2' ' A' ' 57' ' ' LYS . 92.2 mt -59.19 -46.76 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 123.458 0.703 . . . . 63.219999999999999 110.399 174.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 75.2 mmtt -57.18 -38.54 73.79 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.493 0.717 . . . . 75.019999999999996 111.274 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -76.58 -42.2 43.49 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.225 -0.898 . . . . 52.439999999999998 111.628 -175.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.5 mt -68.73 -33.6 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.285 0.634 . . . . 71.140000000000001 110.073 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.445 ' HE2' HG11 ' A' ' 29' ' ' VAL . 9.2 mtpm? -56.0 -63.85 1.05 Allowed 'General case' 0 C--N 1.358 0.965 0 CA-C-N 115.778 -0.646 . . . . 73.030000000000001 109.406 171.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.59 -23.95 66.96 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.975 0.51 . . . . 72.319999999999993 112.154 -176.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.41 -53.81 53.14 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.004 0.922 . . . . 75.120000000000005 109.904 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 m -83.47 -23.85 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 CA-C-N 115.06 -0.973 . . . . 74.030000000000001 112.292 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -72.42 -28.28 62.87 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.27 0.628 . . . . 71.420000000000002 110.747 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -16.6 63.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.952 0.501 . . . . 63.229999999999997 110.959 170.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -111.09 18.65 19.2 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.068 0.947 . . . . 73.25 110.344 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.64 15.69 77.33 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 115.892 1.117 . . . . 52.409999999999997 115.892 167.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -80.14 133.49 36.07 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 118.46 1.13 . . . . 71.409999999999997 110.409 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.2 132.63 34.26 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.832 -0.803 . . . . 61.329999999999998 108.832 174.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.445 HG11 ' HE2' ' A' ' 19' ' ' LYS . 58.9 t -85.56 128.2 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 109.771 -0.455 . . . . 75.430000000000007 109.771 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -131.18 109.0 10.11 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 106.804 -1.554 . . . . 64.540000000000006 106.804 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -115.83 118.91 34.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.82 0.848 . . . . 74.340000000000003 112.078 -164.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.7 t -72.32 111.07 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.501 1.121 . . . . 71.150000000000006 110.103 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.617 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -96.57 -19.27 19.19 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.984 0.513 . . . . 74.319999999999993 111.597 179.251 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -162.81 172.2 15.56 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.73 0.812 . . . . 74.239999999999995 109.487 -173.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -61.0 -39.94 91.61 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.095 0.958 . . . . 73.140000000000001 111.535 173.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.5 -46.03 90.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.265 1.026 . . . . 62.420000000000002 109.922 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.617 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 19.3 mm-40 -60.29 -44.18 95.62 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 115.24 -0.891 . . . . 71.409999999999997 110.568 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.4 tp -55.34 -58.64 6.88 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 124.382 1.052 . . . . 74.430000000000007 110.976 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -35.14 79.74 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 123.751 0.657 . . . . 64.230000000000004 111.218 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -59.43 -46.17 89.48 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.691 0.397 . . . . 64.349999999999994 111.775 175.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.5 pt-20 -84.66 -18.59 34.88 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.395 -0.366 . . . . 73.25 111.534 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 80.9 mmm -67.94 -32.41 72.84 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.191 0.596 . . . . 75.120000000000005 110.383 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -63.65 -37.42 87.27 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.94 -0.393 . . . . 75.099999999999994 109.94 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 31.3 mmmt -67.81 -29.84 69.12 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 120.726 0.298 . . . . 73.219999999999999 111.32 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 64.8 mt -82.75 -31.38 28.4 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.396 0.679 . . . . 71.349999999999994 111.449 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.12 -50.64 5.73 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.744 0.818 . . . . 61.32 112.675 -172.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.23 -64.12 0.95 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.129 0.571 . . . . 71.329999999999998 109.629 -174.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 1.9 pm0 -86.28 87.35 7.41 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.301 1.048 . . . . 74.340000000000003 108.517 171.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -91.43 37.19 0.94 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.722 1.209 . . . . 74.310000000000002 110.19 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -64.22 153.05 39.17 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.433 1.493 . . . . 74.310000000000002 111.383 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -70.27 93.39 0.84 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.436 -0.579 . . . . 64.530000000000001 109.436 177.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -148.79 145.83 27.74 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-N 114.772 -1.104 . . . . 74.319999999999993 108.968 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.565 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 33.8 mtmm -109.41 101.92 10.85 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.669 -0.696 . . . . 73.230000000000004 109.661 -176.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -106.59 132.34 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.09 0.956 . . . . 74.450000000000003 110.45 -175.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.73 117.26 21.26 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.266 -1.012 . . . . 73.5 108.266 166.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mm -92.6 147.08 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 108.575 -0.898 . . . . 70.340000000000003 108.575 170.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.66 ' HE2' HD13 ' A' ' 15' ' ' ILE . 14.1 tmtt? -135.85 134.12 38.51 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.259 -1.015 . . . . 75.049999999999997 108.259 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -158.05 173.94 15.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.285 0.634 . . . . 62.130000000000003 109.875 -177.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -132.65 -50.41 0.91 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.102 0.961 . . . . 74.319999999999993 110.612 -169.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -92.09 132.42 36.6 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.098 -0.501 . . . . 62.030000000000001 110.9 -172.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -54.1 -34.49 60.37 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.946 1.298 . . . . 61.329999999999998 113.512 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -67.12 -41.32 86.37 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 123.528 0.518 . . . . 74.129999999999995 109.757 -173.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.46 -38.29 83.73 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.678 0.791 . . . . 74.409999999999997 111.083 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.586 HD21 ' HB2' ' A' ' 8' ' ' ASN . 7.1 mp -72.6 -40.29 66.64 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.352 0.661 . . . . 74.049999999999997 111.211 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mmmp? -59.31 -58.28 9.31 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.514 0.509 . . . . 73.400000000000006 109.792 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -60.96 -36.29 79.01 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.636 1.174 . . . . 72.209999999999994 111.444 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.2 ttm -59.02 -58.6 7.93 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.607 0.763 . . . . 73.120000000000005 110.111 174.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.43 HD12 HD12 ' A' ' 97' ' ' ILE . 96.2 mt -72.87 -23.55 60.75 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.39 1.076 . . . . 75.430000000000007 113.24 -170.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -74.22 -29.83 61.9 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.857 0.463 . . . . 73.219999999999999 110.587 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.4 mt -80.52 -38.99 28.68 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.925 -0.579 . . . . 71.349999999999994 110.304 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.6 mt -66.95 -31.14 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.775 0.83 . . . . 53.439999999999998 110.408 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -61.24 -28.29 69.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.507 0.723 . . . . 65.530000000000001 111.041 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -85.68 -38.6 18.15 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.828 0.851 . . . . 75.040000000000006 111.0 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.31 -35.67 80.98 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.491 0.717 . . . . 73.5 111.143 -177.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.3 74.36 0.99 Allowed Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.667 -0.697 . . . . 43.310000000000002 113.726 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -155.43 177.67 11.1 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.344 0.658 . . . . 73.519999999999996 110.416 168.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.474 ' HG3' HD13 ' A' ' 127' ' ' LEU . 75.2 mmtt -88.65 134.74 33.8 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.965 0.906 . . . . 74.340000000000003 111.552 -170.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 4' ' ' LEU . 46.3 t -138.23 131.58 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.171 0.989 . . . . 74.120000000000005 108.837 170.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -114.61 108.85 17.37 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.479 -0.934 . . . . 72.140000000000001 108.479 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' ' 6' ' ' LEU . 33.9 tp -99.81 134.32 42.89 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.13 0.491 . . . . 63.009999999999998 111.342 -173.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.48 HD13 HG21 ' A' ' 116' ' ' ILE . 45.3 tp -120.96 136.82 54.88 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.325 1.05 . . . . 73.340000000000003 108.744 172.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 8' ' ' ASN . 74.9 mt -121.6 130.54 53.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.186 0.995 . . . . 62.030000000000001 109.045 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -147.79 110.12 4.61 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.867 0.467 . . . . 71.439999999999998 111.113 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.579 ' HB3' HD11 ' A' ' 90' ' ' LEU . 16.3 t70 -164.16 157.62 18.24 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.894 0.877 . . . . 62.130000000000003 109.147 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -54.2 -41.33 68.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.846 1.258 . . . . 64.439999999999998 111.802 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.62 76.42 7.49 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 108.558 -0.904 . . . . 63.409999999999997 108.558 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -39.44 90.85 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 114.581 -1.19 . . . . 71.430000000000007 112.775 -169.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -76.58 -22.76 53.81 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.924 0.49 . . . . 71.109999999999999 110.247 -171.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.13 -47.49 82.56 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.953 0.901 . . . . 64.200000000000003 109.79 170.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 84' ' ' ASP . 87.5 mt -72.89 -31.39 64.65 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.491 -1.232 . . . . 64.430000000000007 111.104 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 43.6 tt0 -67.17 -41.52 85.83 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.489 0.716 . . . . 72.219999999999999 109.641 178.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.413 ' HG2' ' NH1' ' A' ' 95' ' ' ARG . 0.6 OUTLIER -68.48 -40.42 80.98 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.579 0.752 . . . . 71.140000000000001 109.629 177.694 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -61.0 -49.89 75.59 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.862 -1.063 . . . . 71.010000000000005 111.591 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.443 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.64 -21.5 66.11 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.436 0.694 . . . . 62.140000000000001 111.731 -174.46 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 80.5 mtt180 -63.32 -46.84 84.8 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.126 0.571 . . . . 74.439999999999998 109.965 173.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.95 -29.67 63.27 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.267 1.027 . . . . 72.219999999999999 111.272 -177.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.444 HG22 ' HB2' ' A' ' 102' ' ' TYR . 44.5 mm -73.92 -37.74 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-O 121.136 0.493 . . . . 72.310000000000002 109.908 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.17 -31.55 66.04 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.185 0.994 . . . . 62.009999999999998 110.439 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 69.2 m -68.41 -34.38 75.91 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.316 0.646 . . . . 74.310000000000002 110.572 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.415 HE21 ' HA ' ' A' ' 97' ' ' ILE . 49.3 mt-30 -66.47 -27.86 68.13 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.706 0.402 . . . . 71.140000000000001 110.604 171.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.8 37.25 3.24 Favored Glycine 0 C--N 1.345 1.048 0 C-N-CA 123.065 0.364 . . . . 61.350000000000001 112.612 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.444 ' HB2' HG22 ' A' ' 97' ' ' ILE . 89.9 m-85 -109.86 147.48 33.27 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.893 0.477 . . . . 74.230000000000004 110.787 175.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.483 ' HG2' ' HD3' ' A' ' 123' ' ' LYS . 10.3 tp10 -75.9 109.56 9.63 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 114.961 -1.018 . . . . 75.439999999999998 108.661 173.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.89 134.49 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.252 0.621 . . . . 75.430000000000007 110.652 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.411 ' HB2' HG21 ' A' ' 116' ' ' ILE . 15.8 mmt180 -130.29 155.53 46.16 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.79 0.836 . . . . 71.030000000000001 109.489 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -123.6 136.56 54.58 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.132 0.973 . . . . 72.150000000000006 109.119 177.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.4 m -132.15 163.81 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.439 1.096 . . . . 75.209999999999994 110.201 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.2 p -125.51 -15.71 6.03 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.095 0.958 . . . . 75.329999999999998 111.204 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -109.51 152.58 25.25 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.463 0.649 . . . . 62.140000000000001 111.119 177.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -51.75 40.59 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.434 -1.257 . . . . 74.230000000000004 110.141 176.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -62.5 -27.76 69.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.836 0.854 . . . . 61.240000000000002 111.772 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -77.53 -38.75 48.07 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.374 1.069 . . . . 64.430000000000007 110.604 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.15 -42.37 94.74 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.278 0.631 . . . . 63.119999999999997 111.404 176.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.4 ' HB3' HH12 ' A' ' 118' ' ' ARG . 84.0 mt -64.35 -31.86 73.23 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.764 0.826 . . . . 64.319999999999993 111.202 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 63.4 mttp -63.25 -47.06 84.01 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.337 0.655 . . . . 74.299999999999997 110.284 173.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.48 HG21 HD13 ' A' ' 81' ' ' LEU . 46.6 mm -69.45 -34.24 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.273 0.629 . . . . 74.319999999999993 111.477 -175.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' ' 121' ' ' MET . 82.1 t -54.09 -49.91 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 109.405 -0.591 . . . . 72.450000000000003 109.405 171.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.4 HH12 ' HB3' ' A' ' 114' ' ' LEU . 73.1 mtt85 -64.15 -31.94 73.33 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.501 -0.772 . . . . 62.43 112.171 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.88 -46.99 85.28 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.745 0.418 . . . . 43.409999999999997 110.219 172.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.494 ' HA ' ' HD2' ' A' ' 123' ' ' LYS . 22.1 m-30 -63.87 -29.13 70.35 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.259 1.024 . . . . 61.149999999999999 112.173 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.536 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 98.3 mmm -70.21 -34.46 72.95 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.375 0.67 . . . . 72.420000000000002 110.851 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -73.39 -36.31 66.02 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.747 -0.66 . . . . 71.420000000000002 110.293 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.494 ' HD2' ' HA ' ' A' ' 120' ' ' PHE . 62.1 mttm -67.05 -47.5 71.15 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.39 1.076 . . . . 54.200000000000003 110.541 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.463 ' HA ' HD12 ' A' ' 127' ' ' LEU . . . -65.94 -32.54 74.09 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.055 0.942 . . . . 54.539999999999999 110.725 177.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.74 -37.38 76.14 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-N 115.334 -0.848 . . . . 21.23 112.139 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.0 m -65.27 -22.86 66.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.499 0.72 . . . . 75.329999999999998 111.453 176.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.474 HD13 ' HG3' ' A' ' 77' ' ' LYS . 30.2 mt . . . . . 0 CA--C 1.544 0.744 0 C-N-CA 123.556 0.742 . . . . 72.120000000000005 110.389 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 109.923 -0.399 . . . . 75.319999999999993 109.923 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.518 ' HE3' ' HB3' ' A' ' 52' ' ' GLU . 3.1 ttmp? -159.07 153.79 24.6 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.519 -0.919 . . . . 74.299999999999997 108.519 172.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.409 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 79.2 mt -119.08 109.55 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.03 0.932 . . . . 73.0 108.874 -178.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.7 mp -105.43 136.79 44.34 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.748 -0.834 . . . . 71.209999999999994 108.748 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.5 mt -113.04 114.49 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.189 -1.411 . . . . 73.129999999999995 107.189 164.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.495 HD21 ' SD ' ' A' ' 67' ' ' MET . 84.7 mt -88.65 132.5 34.54 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.297 -1.001 . . . . 65.109999999999999 108.297 178.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.7 mm -125.49 113.41 34.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.871 -1.159 . . . . 75.219999999999999 107.871 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -119.29 97.98 5.93 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.569 -1.641 . . . . 70.430000000000007 106.569 168.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 t -132.31 139.7 48.3 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 115.281 -0.872 . . . . 74.299999999999997 109.491 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -75.87 -19.74 58.63 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.27 -0.877 . . . . 73.329999999999998 109.846 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -75.34 88.36 2.57 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.841 0.857 . . . . 75.319999999999993 109.062 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.18 -34.09 76.78 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.812 0.845 . . . . 72.319999999999993 111.353 -176.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.35 -40.54 71.38 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.799 1.24 . . . . 71.230000000000004 111.515 172.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.9 tp -71.37 -33.65 69.74 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.769 1.227 . . . . 75.140000000000001 111.194 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.2 mt -63.23 -39.6 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 122.972 0.509 . . . . 72.200000000000003 110.834 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -57.4 -33.19 67.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 123.82 0.7 . . . . 74.140000000000001 110.543 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HE2' HD11 ' A' ' 114' ' ' LEU . 49.1 mtpt -81.33 -42.94 19.79 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.806 1.242 . . . . 41.149999999999999 110.722 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.72 -36.0 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.945 0.898 . . . . 61.520000000000003 109.835 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.606 ' HE2' HG11 ' A' ' 29' ' ' VAL . 8.6 mtpm? -58.83 -57.03 14.84 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.167 -0.924 . . . . 72.099999999999994 109.557 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -56.85 -32.24 65.59 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.216 0.606 . . . . 43.539999999999999 112.053 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.73 -55.41 23.5 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.263 0.625 . . . . 74.540000000000006 111.128 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.0 m -80.91 -22.68 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 112.911 0.708 . . . . 71.239999999999995 112.911 -171.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.13 -21.64 60.68 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.662 0.785 . . . . 62.439999999999998 110.803 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.94 -18.85 64.88 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.175 0.59 . . . . 63.340000000000003 111.019 170.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -108.56 8.78 27.34 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.015 0.926 . . . . 74.200000000000003 111.264 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.38 37.39 62.81 Favored Glycine 0 C--N 1.347 1.145 0 N-CA-C 114.287 0.475 . . . . 55.210000000000001 114.287 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -75.82 127.21 32.54 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.832 -0.433 . . . . 71.230000000000004 109.832 170.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -79.79 114.23 18.55 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.35 -0.982 . . . . 73.109999999999999 108.35 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.606 HG11 ' HE2' ' A' ' 19' ' ' LYS . 43.0 t -87.15 127.91 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.859 -0.422 . . . . 75.439999999999998 109.859 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HB2' HD13 ' A' ' 56' ' ' ILE . 2.4 mpt_? -117.33 159.49 22.64 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.374 1.07 . . . . 73.420000000000002 108.506 170.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -129.84 112.68 13.81 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.377 -0.972 . . . . 64.329999999999998 108.377 171.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.637 HG12 HD13 ' A' ' 63' ' ' LEU . 63.3 t -111.7 110.76 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.417 1.087 . . . . 51.140000000000001 108.302 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.77 -36.76 7.73 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.713 0.805 . . . . 72.299999999999997 109.759 175.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -117.0 158.83 23.46 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.543 0.737 . . . . 74.109999999999999 110.658 -173.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.2 t -65.75 -21.84 66.55 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.606 1.162 . . . . 62.210000000000001 112.022 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 18.4 t70 -60.11 -58.88 6.64 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 123.476 0.71 . . . . 65.25 109.358 170.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.71 -27.57 67.99 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.626 1.204 . . . . 75.409999999999997 111.275 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.3 tp -65.28 -61.5 2.09 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.484 0.714 . . . . 63.5 110.474 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -68.38 -25.08 64.89 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 123.541 0.525 . . . . 72.430000000000007 111.997 -172.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 4.5 mmmp? -62.34 -48.24 80.68 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.715 0.635 . . . . 74.530000000000001 110.036 175.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 62.8 mm-40 -77.8 -27.23 50.09 Favored 'General case' 0 C--N 1.348 0.5 0 N-CA-C 112.337 0.495 . . . . 72.030000000000001 112.337 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.463 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 93.2 mmm -66.57 -31.29 71.9 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.119 0.168 . . . . 62.409999999999997 110.651 174.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -61.41 -48.59 80.5 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 109.285 -0.635 . . . . 73.319999999999993 109.285 169.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -57.59 -36.75 72.15 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.905 0.882 . . . . 74.329999999999998 111.279 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 51.5 mt -70.31 -36.77 74.53 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.699 0.8 . . . . 62.409999999999997 110.638 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.9 -36.96 64.8 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.677 0.791 . . . . 72.329999999999998 112.192 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 6.3 mm-40 -75.47 -61.85 1.77 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.887 -0.783 . . . . 64.219999999999999 108.887 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -93.43 93.78 8.33 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 108.623 -0.88 . . . . 64.040000000000006 108.623 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.685 ' H ' ' HD3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -101.22 8.93 42.35 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.29 1.036 . . . . 73.439999999999998 109.75 173.421 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -65.01 162.71 16.11 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.773 1.229 . . . . 72.450000000000003 110.247 168.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.01 129.53 41.88 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 120.957 0.408 . . . . 72.400000000000006 111.508 -175.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 11.3 tp10 -159.54 158.84 32.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.156 -0.929 . . . . 73.420000000000002 109.104 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 57.0 mtmt -125.57 115.67 20.54 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.198 -1.038 . . . . 75.120000000000005 108.198 175.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.5 mt -127.44 125.9 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.165 0.986 . . . . 52.210000000000001 109.829 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.3 tp -86.46 131.92 34.06 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.22 -1.03 . . . . 73.420000000000002 108.22 169.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.405 HD13 ' HB2' ' A' ' 30' ' ' ARG . 30.5 mm -115.47 122.11 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 108.719 -0.845 . . . . 64.120000000000005 108.719 172.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -96.52 140.26 31.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.318 1.047 . . . . 72.450000000000003 109.053 171.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.435 ' HB2' HD11 ' A' ' 64' ' ' LEU . 68.8 m -149.43 144.74 26.54 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.21 0.604 . . . . 43.420000000000002 111.214 174.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -102.51 -2.32 28.84 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.209 1.004 . . . . 75.329999999999998 110.223 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.437 ' HB3' HD12 ' A' ' 63' ' ' LEU . 24.1 t70 -118.82 139.11 52.14 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.031 0.932 . . . . 61.0 109.685 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.51 -36.15 38.95 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.596 0.758 . . . . 73.510000000000005 112.424 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -69.21 -34.51 74.99 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.879 0.871 . . . . 71.319999999999993 110.99 -169.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.637 HD13 HG12 ' A' ' 32' ' ' VAL . 86.0 mt -52.27 -40.1 61.3 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.883 0.873 . . . . 75.299999999999997 111.587 176.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 58' ' ' SER . 6.6 mp -70.57 -40.1 73.52 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.33 1.052 . . . . 74.049999999999997 110.489 -176.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -61.72 -56.47 19.28 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.196 -0.668 . . . . 74.230000000000004 109.196 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -54.62 -43.28 72.13 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 125.045 1.466 . . . . 75.510000000000005 110.953 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.495 ' SD ' HD21 ' A' ' 6' ' ' LEU . 33.9 ttm -60.12 -53.04 62.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.169 0.987 . . . . 74.329999999999998 110.423 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.412 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 96.6 mt -68.82 -26.91 65.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.218 1.007 . . . . 74.25 112.19 -175.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.78 -30.36 64.04 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.181 0.592 . . . . 61.509999999999998 110.4 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.6 mt -84.12 -28.25 27.62 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.616 0.766 . . . . 73.310000000000002 110.732 174.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.469 HD13 HG21 ' A' ' 78' ' ' VAL . 70.2 mt -73.17 -22.43 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.052 0.941 . . . . 72.120000000000005 109.861 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.9 t -57.67 -31.3 66.2 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.343 0.657 . . . . 74.420000000000002 111.169 171.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -73.6 -33.57 64.67 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.528 0.731 . . . . 74.010000000000005 111.457 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -81.61 -48.42 11.77 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.128 0.571 . . . . 65.450000000000003 111.159 -174.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.42 73.74 1.15 Allowed Glycine 0 C--N 1.343 0.938 0 C-N-CA 123.391 0.52 . . . . 51.43 113.53 172.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -149.49 174.18 12.77 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.172 0.589 . . . . 75.409999999999997 111.18 174.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -73.45 120.79 19.54 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.989 0.916 . . . . 73.120000000000005 111.105 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.469 HG21 HD13 ' A' ' 71' ' ' ILE . 42.1 t -124.94 139.28 51.52 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.813 -0.81 . . . . 71.209999999999994 108.813 169.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -107.33 157.93 17.55 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.972 1.309 . . . . 70.219999999999999 108.388 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 81' ' ' LEU . 18.6 tp -148.36 136.2 20.85 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.061 0.458 . . . . 54.409999999999997 110.578 177.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.428 HD21 ' HB1' ' A' ' 113' ' ' ALA . 41.8 tp -125.11 133.37 52.88 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.448 1.099 . . . . 72.530000000000001 109.239 174.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.545 ' HB3' HD22 ' A' ' 90' ' ' LEU . 75.0 mt -121.06 124.75 45.58 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.267 1.027 . . . . 64.510000000000005 108.708 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.438 ' HB2' HG23 ' A' ' 107' ' ' VAL . . . -142.94 110.62 5.85 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 118.421 0.555 . . . . 73.329999999999998 110.742 178.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' HB3' HD11 ' A' ' 90' ' ' LEU . 24.0 t70 -159.51 162.72 35.55 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.037 0.535 . . . . 72.140000000000001 110.079 -177.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -57.36 -47.32 81.93 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.944 1.298 . . . . 62.310000000000002 110.522 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -78.37 83.03 4.62 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.638 -1.245 . . . . 71.530000000000001 107.638 173.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.56 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -73.43 -21.21 60.53 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.579 -1.191 . . . . 74.310000000000002 110.808 -179.353 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -71.35 -43.19 67.43 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.491 1.116 . . . . 72.310000000000002 111.016 -174.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -68.56 -31.8 71.27 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 123.502 0.501 . . . . 74.450000000000003 110.649 178.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 82' ' ' LEU . 78.8 mt -69.08 -39.76 78.87 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.604 0.761 . . . . 75.310000000000002 110.455 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.461 ' HB2' ' HZ3' ' A' ' 106' ' ' LYS . 35.6 tt0 -69.28 -35.19 75.79 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.492 0.495 . . . . 75.230000000000004 110.352 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -69.55 -45.67 68.2 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.936 0.894 . . . . 74.510000000000005 109.482 176.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.429 ' HD2' HD11 ' A' ' 82' ' ' LEU . 55.8 t80 -62.55 -46.71 87.11 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.934 1.294 . . . . 64.120000000000005 111.079 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -34.55 78.58 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.531 -0.758 . . . . 64.439999999999998 110.365 -173.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -62.08 -33.34 74.23 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.388 0.675 . . . . 73.530000000000001 111.88 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -72.6 -45.01 61.21 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.816 0.846 . . . . 54.229999999999997 110.597 176.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.1 mm -66.84 -33.15 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-O 122.025 0.917 . . . . 72.109999999999999 110.552 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.45 -35.56 68.3 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.503 1.521 . . . . 73.230000000000004 110.118 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -72.31 -30.11 64.48 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.783 -1.099 . . . . 63.219999999999999 110.418 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 97.9 mt-30 -66.98 -19.72 65.76 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.133 0.573 . . . . 65.120000000000005 111.23 173.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.44 27.53 9.13 Favored Glycine 0 C--N 1.348 1.245 0 C-N-CA 122.845 0.26 . . . . 44.420000000000002 112.556 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -109.1 144.28 37.34 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.323 0.649 . . . . 73.230000000000004 110.013 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -72.99 113.12 9.66 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 108.779 -0.823 . . . . 63.210000000000001 108.779 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.4 p -139.18 142.22 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.056 0.543 . . . . 55.310000000000002 109.935 -175.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -133.72 139.04 46.15 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.549 0.74 . . . . 75.040000000000006 109.911 -177.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.56 ' HE3' ' HB2' ' A' ' 87' ' ' GLU . 1.7 tmtp? -102.69 122.86 45.29 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.827 1.251 . . . . 73.400000000000006 108.101 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.438 HG23 ' HB2' ' A' ' 83' ' ' ALA . 33.1 m -137.93 -178.97 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.892 1.277 . . . . 70.239999999999995 109.657 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 m -148.9 -42.38 0.15 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.561 0.745 . . . . 74.099999999999994 109.618 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.04 154.04 31.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.82 0.848 . . . . 75.140000000000001 111.143 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.56 -60.26 2.88 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.593 1.157 . . . . 73.530000000000001 111.852 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.15 -21.18 56.88 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 120.619 0.247 . . . . 73.219999999999999 110.76 -174.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.502 ' O ' HG12 ' A' ' 116' ' ' ILE . 42.8 tt0 -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 115.592 -0.731 . . . . 64.329999999999998 110.046 170.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.428 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -61.91 -44.5 96.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 122.53 0.332 . . . . 74.120000000000005 111.24 175.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.434 HD11 ' HE2' ' A' ' 17' ' ' LYS . 96.1 mt -62.93 -38.18 90.0 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.411 0.684 . . . . 60.409999999999997 112.042 -176.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 14.0 ptmm? -74.54 -26.58 60.05 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.646 0.378 . . . . 75.450000000000003 110.955 -177.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 112' ' ' GLU . 37.5 mm -73.01 -42.96 59.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 123.548 0.739 . . . . 62.329999999999998 110.543 175.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 113' ' ' ALA . 93.4 t -56.07 -40.19 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.398 0.679 . . . . 74.099999999999994 110.092 175.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 99.9 mtt180 -64.46 -32.69 74.43 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.443 -0.799 . . . . 70.430000000000007 111.638 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.85 -48.3 74.83 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 110.346 -0.242 . . . . 70.120000000000005 110.346 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 22.8 m-30 -54.91 -36.51 65.28 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.496 0.719 . . . . 73.25 111.57 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 78.6 mtp -73.02 -31.24 64.33 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.044 0.938 . . . . 72.5 111.073 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 84.9 mm-40 -67.37 -43.67 80.86 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.307 0.643 . . . . 70.129999999999995 110.828 175.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 3.8 mptp? -62.03 -46.13 90.51 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 109.203 -0.666 . . . . 74.5 109.203 173.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.571 ' HA ' HD12 ' A' ' 127' ' ' LEU . . . -61.89 -41.57 98.04 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.314 1.046 . . . . 63.100000000000001 112.533 -171.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.1 -48.69 84.85 Favored Glycine 0 C--N 1.346 1.119 0 N-CA-C 111.102 -0.799 . . . . 72.319999999999993 111.102 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.0 m -60.41 -29.14 68.79 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.44 1.096 . . . . 73.400000000000006 112.516 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 124' ' ' ALA . 75.2 mt . . . . . 0 N--CA 1.486 1.34 0 C-N-CA 123.478 0.711 . . . . 71.420000000000002 110.938 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.678 -0.49 . . . . 65.209999999999994 109.678 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.482 ' HE3' HD11 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -160.01 168.1 26.4 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.395 1.078 . . . . 72.129999999999995 108.852 172.409 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.611 HD13 ' HB1' ' A' ' 124' ' ' ALA . 75.8 mt -110.09 123.06 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 109.158 -0.682 . . . . 61.32 109.158 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.482 HD11 ' HE3' ' A' ' 2' ' ' LYS . 9.6 mp -122.21 121.81 37.69 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.814 -0.81 . . . . 74.230000000000004 108.814 168.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.6 mt -106.63 112.17 38.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.506 -1.294 . . . . 70.409999999999997 107.506 169.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.508 HD21 ' SD ' ' A' ' 67' ' ' MET . 85.7 mt -87.02 124.3 33.05 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.884 0.874 . . . . 73.450000000000003 109.031 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.433 HG13 HG21 ' A' ' 18' ' ' ILE . 46.0 mm -111.84 116.08 51.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 108.646 -0.872 . . . . 71.450000000000003 108.646 173.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.431 ' OD1' ' HG2' ' A' ' 61' ' ' LYS . 28.1 t-20 -124.56 104.67 8.84 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 108.185 -1.043 . . . . 70.120000000000005 108.185 169.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 4.5 t -130.94 143.95 51.11 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.844 -0.616 . . . . 74.200000000000003 111.09 175.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -65.65 -24.36 67.01 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.731 1.212 . . . . 63.119999999999997 109.693 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -95.71 93.97 7.42 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.445 1.098 . . . . 65.010000000000005 109.383 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.08 -25.49 68.13 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.225 0.61 . . . . 74.109999999999999 111.096 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.65 -42.33 98.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.945 0.898 . . . . 72.439999999999998 111.178 174.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.54 -34.49 74.2 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.965 0.906 . . . . 74.409999999999997 111.045 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.36 -41.31 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.083 0.553 . . . . 71.219999999999999 111.495 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 66.9 mttm -50.93 -43.67 60.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 123.719 0.637 . . . . 75.439999999999998 110.867 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.64 -42.17 71.2 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.292 -1.322 . . . . 73.319999999999993 110.265 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.433 HG21 HG13 ' A' ' 7' ' ' ILE . 83.0 mt -63.44 -33.34 60.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 123.801 0.84 . . . . 72.430000000000007 111.155 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 25.1 mtpp -62.84 -53.73 49.68 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.568 0.747 . . . . 74.239999999999995 110.175 177.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -63.74 -32.81 74.43 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.256 -0.884 . . . . 73.310000000000002 110.013 -178.318 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.79 -48.93 72.69 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.915 1.286 . . . . 64.510000000000005 110.88 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.6 HG11 HD13 ' A' ' 55' ' ' LEU . 26.3 m -73.4 -24.29 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 115.935 -0.575 . . . . 74.439999999999998 111.979 -176.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 50.1 mt-10 -61.68 -27.39 68.65 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.978 0.511 . . . . 74.530000000000001 111.775 173.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -68.52 -17.19 64.11 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.808 0.443 . . . . 73.140000000000001 111.981 176.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -111.34 -3.38 15.3 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.617 0.767 . . . . 71.349999999999994 111.448 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.43 32.43 22.43 Favored Glycine 0 C--N 1.351 1.387 0 O-C-N 123.31 0.381 . . . . 64.540000000000006 113.894 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.571 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 4.3 m-85 -88.19 141.27 28.7 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.203 0.601 . . . . 64.310000000000002 110.041 174.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.71 167.73 17.92 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.853 -1.067 . . . . 65.5 108.304 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.9 t -127.59 128.8 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 108.38 -0.97 . . . . 64.5 108.38 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.649 ' HE ' ' HA ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -121.22 111.57 17.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.277 1.031 . . . . 74.329999999999998 109.638 -177.356 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.62 111.9 19.53 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.352 0.596 . . . . 73.010000000000005 110.916 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.51 HG12 HD13 ' A' ' 63' ' ' LEU . 89.9 t -102.72 108.62 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.467 -1.242 . . . . 62.32 107.883 167.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.47 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 26.0 m-80 -93.19 -36.82 12.42 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.023 0.929 . . . . 73.230000000000004 110.511 -178.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' H ' ' HB2' ' A' ' 37' ' ' GLU . 38.9 t70 -141.63 172.86 12.11 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.323 -0.853 . . . . 73.439999999999998 110.364 -166.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -58.47 -35.83 72.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.736 1.214 . . . . 73.120000000000005 112.179 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.75 -49.55 67.97 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.509 0.724 . . . . 73.409999999999997 109.617 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 8.8 mm-40 -56.69 -40.13 75.05 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 124.15 0.906 . . . . 73.430000000000007 110.721 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' A' ' 66' ' ' GLU . 43.8 tp -60.49 -61.23 2.75 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.898 0.879 . . . . 70.540000000000006 110.079 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -64.04 -36.03 82.65 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 124.108 0.88 . . . . 71.230000000000004 111.454 -171.228 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -56.46 -51.84 66.91 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 122.755 0.422 . . . . 75.450000000000003 109.943 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 11.1 mm-40 -73.44 -24.44 60.24 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 115.344 -0.844 . . . . 73.129999999999995 110.83 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.74 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 74.8 mmm -70.39 -35.42 73.48 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 118.64 -0.695 . . . . 73.310000000000002 112.102 -178.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -59.48 -43.8 93.2 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 109.485 -0.561 . . . . 60.420000000000002 109.485 170.13 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.498 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 11.3 mmpt? -60.31 -61.07 2.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.826 0.704 . . . . 74.310000000000002 110.366 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.467 HD13 HD21 ' A' ' 4' ' ' LEU . 51.6 mt -55.76 -30.34 61.09 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.116 1.366 . . . . 60.210000000000001 111.962 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.2 -47.67 41.64 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 123.191 0.596 . . . . 50.32 111.252 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 36.5 mm-40 -68.29 -22.54 64.72 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.511 0.724 . . . . 74.099999999999994 111.525 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 44' ' ' LYS . 50.1 mt-10 -74.26 91.12 2.13 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.451 0.7 . . . . 74.5 111.034 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -85.37 -16.12 40.94 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.661 0.784 . . . . 73.109999999999999 109.963 169.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -66.58 142.45 57.48 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.603 0.761 . . . . 75.439999999999998 110.531 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -75.8 118.17 18.32 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.501 -0.772 . . . . 73.439999999999998 109.607 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -155.39 143.88 20.37 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.143 0.497 . . . . 52.119999999999997 110.501 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.593 ' HG2' HD12 ' A' ' 3' ' ' ILE . 18.0 mtmm -91.04 108.41 19.84 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 125.714 1.606 . . . . 64.25 109.306 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.9 mt -123.91 125.58 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 123.733 0.813 . . . . 72.209999999999994 109.766 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.6 HD13 HG11 ' A' ' 22' ' ' VAL . 16.0 tp -90.01 123.14 33.65 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.633 -1.247 . . . . 75.439999999999998 107.633 168.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.4 mm -95.24 120.23 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 109.115 -0.698 . . . . 53.450000000000003 109.115 173.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -92.98 122.31 35.21 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.813 1.245 . . . . 53.439999999999998 108.431 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.576 ' HB3' HD11 ' A' ' 64' ' ' LEU . 36.2 t -158.38 139.05 12.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.075 0.464 . . . . 54.509999999999998 110.131 175.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -100.01 -16.1 18.03 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.897 0.879 . . . . 54.340000000000003 110.201 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.28 131.6 42.61 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.234 0.614 . . . . 62.130000000000003 110.019 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG2' ' OD1' ' A' ' 8' ' ' ASN . 90.5 mttt -79.23 -29.14 42.6 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.652 1.181 . . . . 65.230000000000004 112.279 -171.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 14.0 mm100 -69.56 -39.93 77.11 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.073 0.549 . . . . 75.109999999999999 110.882 -177.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.51 HD13 HG12 ' A' ' 32' ' ' VAL . 92.3 mt -56.1 -39.73 72.6 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.721 0.808 . . . . 72.329999999999998 112.541 -176.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.6 mp -71.76 -30.82 65.99 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.307 0.643 . . . . 73.299999999999997 111.073 -177.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 50.8 mtpt -66.2 -49.96 65.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.101 0.561 . . . . 75.219999999999999 110.056 175.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 15.9 mm-40 -60.64 -36.55 78.95 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.0 0.92 . . . . 64.450000000000003 110.455 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.74 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 44.1 ttm -63.19 -49.34 74.63 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.261 -1.336 . . . . 64.019999999999996 110.497 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.478 HD23 HD12 ' A' ' 71' ' ' ILE . 90.5 mt -67.86 -20.72 65.17 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.756 0.823 . . . . 72.019999999999996 112.753 -175.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.7 -32.12 65.53 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.916 0.389 . . . . 64.040000000000006 110.456 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.3 mt -83.14 -35.4 25.6 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.621 0.768 . . . . 71.540000000000006 110.16 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.491 HG21 HG21 ' A' ' 78' ' ' VAL . 57.7 mt -67.76 -26.25 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.879 0.872 . . . . 74.349999999999994 110.538 177.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.5 t -55.28 -35.32 64.93 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.748 0.819 . . . . 64.129999999999995 111.452 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -75.71 -27.87 58.36 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.701 0.801 . . . . 73.409999999999997 111.174 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 71' ' ' ILE . 47.8 mt -84.28 -44.64 13.65 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.975 0.91 . . . . 63.130000000000003 110.908 -173.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.1 70.03 1.3 Allowed Glycine 0 C--N 1.349 1.291 0 CA-C-N 116.054 -0.521 . . . . 40.549999999999997 114.089 172.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -141.24 159.63 41.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.518 0.727 . . . . 74.430000000000007 110.244 172.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -70.61 114.6 8.88 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.943 0.897 . . . . 71.420000000000002 110.505 -175.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.491 HG21 HG21 ' A' ' 71' ' ' ILE . 60.1 t -110.7 139.93 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.093 0.957 . . . . 63.229999999999997 109.5 176.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -116.82 109.26 16.87 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.164 0.986 . . . . 54.299999999999997 109.123 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.468 HD23 HG21 ' A' ' 97' ' ' ILE . 17.6 tp -102.46 127.82 49.34 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.717 0.807 . . . . 74.400000000000006 110.091 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.8 tp -111.06 126.36 54.73 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.706 0.803 . . . . 70.099999999999994 109.333 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.617 ' HB3' HD22 ' A' ' 90' ' ' LEU . 95.1 mt -107.5 118.95 38.06 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.362 1.065 . . . . 72.430000000000007 108.307 174.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -132.24 110.31 10.54 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.99 0.516 . . . . 54.25 109.886 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -141.5 166.13 25.61 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 107.767 -1.197 . . . . 71.510000000000005 107.767 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.432 ' HG3' ' H ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -70.62 -6.86 39.9 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.173 0.589 . . . . 72.340000000000003 112.15 175.577 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -133.4 118.38 18.36 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.029 0.932 . . . . 71.430000000000007 110.351 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.77 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -80.65 -22.39 40.55 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.819 1.248 . . . . 74.230000000000004 112.223 -179.218 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.59 -49.28 71.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.784 0.834 . . . . 74.310000000000002 110.812 -173.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.44 -39.27 88.81 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.526 0.73 . . . . 63.420000000000002 110.585 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' A' ' 82' ' ' LEU . 81.7 mt -63.96 -38.95 92.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.907 0.483 . . . . 73.349999999999994 111.63 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.534 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 32.7 tt0 -69.76 -39.64 76.57 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 123.435 0.459 . . . . 64.329999999999998 109.77 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.36 -40.4 94.16 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 124.646 1.178 . . . . 72.439999999999998 109.766 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.75 -48.01 64.8 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.807 1.243 . . . . 53.240000000000002 111.033 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.451 ' HG3' ' HA ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -69.72 -18.62 63.54 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.862 0.465 . . . . 54.219999999999999 111.437 -173.061 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 27.6 mmm180 -64.81 -36.95 85.98 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.249 0.62 . . . . 75.310000000000002 111.195 175.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.24 -47.7 83.23 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.347 0.659 . . . . 72.219999999999999 110.456 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.468 HG21 HD23 ' A' ' 80' ' ' LEU . 34.2 mm -67.39 -38.92 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 114.879 -1.055 . . . . 74.219999999999999 110.574 -173.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.03 -31.22 64.31 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.838 1.255 . . . . 61.130000000000003 110.523 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.5 t -71.92 -21.37 61.63 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.088 0.555 . . . . 64.319999999999993 111.015 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -88.05 -3.37 58.91 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.603 0.761 . . . . 73.109999999999999 110.859 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.04 36.74 45.46 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.144 0.277 . . . . 53.219999999999999 113.388 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -109.6 142.6 40.47 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.441 0.696 . . . . 75.430000000000007 109.979 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -74.23 113.73 11.76 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 123.818 0.847 . . . . 64.400000000000006 108.792 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.7 p -138.95 127.52 28.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 O-C-N 123.201 0.313 . . . . 64.430000000000007 111.311 -173.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -113.83 142.28 46.29 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.771 0.829 . . . . 54.130000000000003 110.02 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.77 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -109.58 123.9 50.23 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.964 1.305 . . . . 71.129999999999995 108.892 179.093 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.1 m -139.1 163.05 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 124.304 1.042 . . . . 74.5 109.531 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.5 p -128.23 -10.28 5.26 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.631 0.773 . . . . 51.450000000000003 112.347 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -109.04 155.03 21.4 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.574 0.35 . . . . 54.439999999999998 110.795 -173.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.6 -60.47 2.69 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.767 1.227 . . . . 61.140000000000001 111.435 -175.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.26 -27.07 64.14 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.226 0.329 . . . . 72.299999999999997 110.115 -175.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.561 ' O ' HG12 ' A' ' 116' ' ' ILE . 9.0 tp10 -61.75 -48.24 81.59 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 123.937 0.773 . . . . 72.420000000000002 109.857 174.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.29 -48.78 76.65 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.173 0.589 . . . . 73.25 111.346 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 64.6 mt -55.15 -39.97 70.08 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.253 1.021 . . . . 70.439999999999998 111.386 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -62.52 -47.8 82.32 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.742 1.217 . . . . 72.310000000000002 110.434 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 112' ' ' GLU . 46.2 mm -68.7 -31.75 52.15 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 O-C-N 123.951 0.782 . . . . 75.129999999999995 111.258 -177.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.23 -47.04 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 123.472 0.709 . . . . 72.329999999999998 110.222 173.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -68.18 -36.46 79.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.091 -0.959 . . . . 73.319999999999993 110.965 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.78 -34.47 75.61 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.044 -0.525 . . . . 72.239999999999995 110.959 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -63.19 -38.78 92.51 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.037 0.535 . . . . 72.230000000000004 110.791 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 22' ' ' VAL . 77.3 mtm -73.0 -28.51 62.42 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.726 0.639 . . . . 53.329999999999998 112.726 -177.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.94 -34.72 44.18 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.588 0.631 . . . . 64.239999999999995 110.485 177.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.37 -30.18 68.12 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 122.941 0.496 . . . . 75.239999999999995 110.247 171.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.611 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -77.11 -29.24 54.73 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.4 -0.818 . . . . 73.5 110.685 177.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.32 -24.23 70.53 Favored Glycine 0 C--N 1.349 1.265 0 N-CA-C 112.189 -0.364 . . . . 73.400000000000006 112.189 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.9 t -72.71 -21.88 60.98 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.246 1.018 . . . . 72.430000000000007 110.569 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 N--CA 1.481 1.111 0 C-N-CA 123.879 0.871 . . . . 73.209999999999994 111.283 -178.036 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.731 -0.47 . . . . 74.430000000000007 109.731 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.613 ' HZ1' ' HA ' ' A' ' 45' ' ' LEU . 69.2 tttt -158.87 134.46 8.69 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.049 -1.093 . . . . 52.240000000000002 108.049 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.414 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 68.4 mt -107.7 123.29 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 122.851 0.46 . . . . 72.530000000000001 110.137 -175.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.412 HD21 HD22 ' A' ' 45' ' ' LEU . 11.1 mp -118.98 141.94 48.22 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 108.62 -0.881 . . . . 74.239999999999995 108.62 171.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.9 mt -124.75 112.35 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 107.12 -1.437 . . . . 71.140000000000001 107.12 167.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.462 ' HB2' HD13 ' A' ' 80' ' ' LEU . 81.8 mt -88.2 137.04 32.68 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.459 -0.941 . . . . 63.100000000000001 108.459 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.4 mm -127.95 115.83 40.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 108.112 -1.07 . . . . 64.099999999999994 108.112 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -127.94 103.55 7.31 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 107.588 -1.264 . . . . 73.329999999999998 107.588 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 8.1 t -129.43 145.35 51.43 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.254 -0.884 . . . . 72.430000000000007 109.948 174.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -73.53 -19.59 60.87 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 115.225 -0.898 . . . . 73.510000000000005 111.061 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -109.51 115.3 29.66 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.26 0.552 . . . . 74.319999999999993 110.369 173.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.74 -19.44 64.34 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.46 0.704 . . . . 73.540000000000006 111.498 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -55.54 -38.47 69.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.273 0.629 . . . . 65.099999999999994 110.923 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 110' ' ' ASP . 19.4 tp -64.69 -44.86 88.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.105 -0.952 . . . . 63.140000000000001 111.229 176.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.521 HG21 ' HD2' ' A' ' 57' ' ' LYS . 57.2 mt -60.16 -41.29 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.796 0.438 . . . . 60.039999999999999 110.747 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.508 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 10.5 mtmp? -61.57 -26.9 68.25 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.568 0.542 . . . . 65.25 112.129 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.55 ' HE3' ' HB3' ' A' ' 110' ' ' ASP . 36.7 mtmm -78.93 -46.43 18.4 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.808 0.443 . . . . 64.109999999999999 111.413 170.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.18 -32.15 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.207 1.003 . . . . 72.030000000000001 111.254 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 28.9 mtpp -57.45 -53.17 61.21 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.418 -0.81 . . . . 64.329999999999998 109.608 174.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -65.23 -34.13 77.62 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.628 -0.715 . . . . 75.519999999999996 111.017 -175.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.56 -53.89 53.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.597 0.759 . . . . 74.409999999999997 110.275 174.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.526 HG11 HD13 ' A' ' 55' ' ' LEU . 19.2 m -76.37 -17.5 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 N-CA-C 112.531 0.567 . . . . 60.329999999999998 112.531 -173.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 28.9 mm-40 -62.36 -33.1 74.08 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.406 0.282 . . . . 62.539999999999999 111.506 174.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -59.62 -29.48 68.04 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.379 0.672 . . . . 63.109999999999999 112.058 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -110.37 8.65 23.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.539 0.736 . . . . 70.409999999999997 112.755 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.14 38.32 59.35 Favored Glycine 0 C--N 1.344 0.976 0 N-CA-C 114.425 0.53 . . . . 75.530000000000001 114.425 170.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -79.82 157.65 26.98 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 121.105 0.479 . . . . 74.230000000000004 110.423 172.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -106.0 113.94 27.79 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.821 1.248 . . . . 70.040000000000006 108.023 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.8 t -89.56 124.36 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-O 120.917 0.389 . . . . 64.140000000000001 110.407 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HE ' ' HB3' ' A' ' 41' ' ' GLU . 23.8 tpt180 -128.04 118.88 24.29 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.737 1.215 . . . . 73.450000000000003 108.568 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -100.91 120.97 40.94 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.444 0.64 . . . . 75.409999999999997 110.829 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.425 HG22 ' HG2' ' A' ' 41' ' ' GLU . 42.4 t -88.3 114.1 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 125.118 1.367 . . . . 65.140000000000001 109.066 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.458 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 6.0 m120 -91.59 -24.13 19.67 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.459 0.704 . . . . 64.230000000000004 111.884 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -161.2 172.15 17.19 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.299 0.639 . . . . 54.329999999999998 109.954 -171.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.3 p -63.25 -27.6 69.45 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.591 0.756 . . . . 64.439999999999998 111.757 176.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.92 -50.44 68.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.736 0.815 . . . . 74.420000000000002 109.1 172.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.458 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 57.5 mm-40 -59.48 -33.28 71.13 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.918 -1.037 . . . . 74.540000000000006 111.109 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 67' ' ' MET . 36.3 tp -62.58 -56.19 20.22 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 123.749 0.656 . . . . 73.230000000000004 110.639 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -65.79 -29.02 69.46 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 111.599 0.222 . . . . 73.239999999999995 111.599 -177.459 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.76 -51.64 68.88 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.871 0.468 . . . . 65.5 111.138 174.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.559 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.17 -24.02 40.66 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.263 -0.426 . . . . 51.439999999999998 111.203 -178.06 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.536 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 40.8 mmm -65.09 -30.48 71.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.984 0.514 . . . . 73.430000000000007 110.979 174.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.1 -35.61 76.64 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.744 0.307 . . . . 73.239999999999995 110.481 170.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -70.36 -27.31 64.24 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.885 0.474 . . . . 72.129999999999995 110.562 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.613 ' HA ' ' HZ1' ' A' ' 2' ' ' LYS . 76.9 mt -83.54 -43.49 15.66 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.717 0.807 . . . . 62.329999999999998 111.44 178.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.57 -51.08 5.43 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.07 0.767 . . . . 72.510000000000005 113.07 -168.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.46 -46.43 76.41 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.688 -0.856 . . . . 72.030000000000001 108.688 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' HB3' ' ND2' ' A' ' 50' ' ' ASN . 10.6 mm-40 -95.82 102.63 14.44 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.044 -0.98 . . . . 51.340000000000003 109.922 175.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -102.52 17.36 23.84 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.817 -0.628 . . . . 55.210000000000001 109.759 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.43 ' ND2' ' HB3' ' A' ' 48' ' ' GLU . 8.7 p30 -62.94 150.61 41.71 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.147 0.579 . . . . 75.409999999999997 109.748 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.08 107.16 1.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 109.879 -0.415 . . . . 52.340000000000003 109.879 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -146.15 142.2 28.24 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 123.654 0.782 . . . . 71.010000000000005 108.935 175.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 53.8 mtmt -99.72 112.98 25.17 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.149 0.98 . . . . 72.109999999999999 108.37 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.7 121.08 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 O-C-N 123.359 0.412 . . . . 61.509999999999998 110.442 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.526 HD13 HG11 ' A' ' 22' ' ' VAL . 19.3 tp -84.18 108.39 17.05 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.09 -1.078 . . . . 74.340000000000003 108.09 167.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.408 ' HB ' HD23 ' A' ' 6' ' ' LEU . 35.5 mm -91.42 121.93 42.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.896 0.379 . . . . 75.319999999999993 110.135 176.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.521 ' HD2' HG21 ' A' ' 15' ' ' ILE . 64.3 tttt -93.37 143.54 26.18 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.073 -1.084 . . . . 64.349999999999994 108.073 162.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.414 ' HB3' HD11 ' A' ' 64' ' ' LEU . 34.4 t -153.84 127.77 8.9 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.917 -0.771 . . . . 73.209999999999994 108.917 169.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -74.47 -37.49 63.18 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.965 0.791 . . . . 73.400000000000006 110.175 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -84.68 128.18 34.47 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.9 -0.591 . . . . 71.310000000000002 109.494 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -79.7 -26.62 40.85 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.346 1.058 . . . . 74.510000000000005 111.613 -170.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 24.5 mm-40 -72.32 -38.41 68.67 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.596 0.358 . . . . 73.219999999999999 110.61 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 38' ' ' LEU . 83.3 mt -53.1 -32.77 49.03 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 124.21 0.944 . . . . 75.109999999999999 112.786 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.414 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.1 mp -65.23 -43.43 91.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.266 0.627 . . . . 73.150000000000006 111.123 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -66.4 -45.73 78.98 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.573 0.545 . . . . 73.430000000000007 110.481 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 6.4 mm-40 -64.75 -31.37 72.57 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.91 0.884 . . . . 74.129999999999995 111.007 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.536 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 41.5 ttm -69.64 -54.51 13.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.033 0.933 . . . . 64.150000000000006 110.13 175.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.461 HD23 HD12 ' A' ' 71' ' ' ILE . 81.1 mt -60.9 -31.57 71.07 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.049 0.94 . . . . 73.340000000000003 112.053 -175.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.16 -47.14 69.03 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.772 1.229 . . . . 75.519999999999996 110.266 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.1 mt -81.21 -31.89 33.72 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.107 -0.951 . . . . 62.350000000000001 111.459 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.538 HG21 HG21 ' A' ' 78' ' ' VAL . 50.7 mt -61.63 -30.43 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 123.897 0.879 . . . . 62.119999999999997 111.33 176.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.3 t -56.4 -31.84 64.25 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.566 0.746 . . . . 72.5 112.016 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.431 ' NZ ' ' HB3' ' A' ' 73' ' ' LYS . 8.2 mtpm? -75.69 -35.94 60.19 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.88 -0.6 . . . . 63.450000000000003 111.467 176.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.42 -35.29 77.42 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.392 0.677 . . . . 63.240000000000002 111.366 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.74 76.15 0.52 Allowed Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.286 -0.87 . . . . 75.420000000000002 113.46 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -151.89 168.76 24.13 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.447 0.699 . . . . 75.310000000000002 109.951 171.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -86.44 123.18 31.38 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.411 0.684 . . . . 72.109999999999999 109.361 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.538 HG21 HG21 ' A' ' 71' ' ' ILE . 43.2 t -119.58 144.45 28.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 124.519 1.127 . . . . 63.25 109.375 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -106.8 155.9 19.23 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.392 1.077 . . . . 73.019999999999996 108.387 172.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' A' ' 6' ' ' LEU . 15.0 tp -147.93 131.74 17.02 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.129 0.572 . . . . 74.430000000000007 109.743 176.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.482 HD21 ' HB1' ' A' ' 113' ' ' ALA . 40.8 tp -121.56 124.03 43.39 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.207 -0.906 . . . . 74.319999999999993 108.744 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.59 ' HB3' HD22 ' A' ' 90' ' ' LEU . 74.7 mt -110.91 125.98 54.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.634 -1.166 . . . . 71.540000000000006 108.157 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -138.37 121.5 16.84 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 121.064 0.459 . . . . 74.540000000000006 110.168 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' N ' HD11 ' A' ' 90' ' ' LEU . 35.6 t0 -168.6 150.91 5.06 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 107.06 -1.459 . . . . 72.420000000000002 107.06 -176.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -65.45 -34.84 79.24 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 123.735 0.647 . . . . 75.239999999999995 109.312 176.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.79 83.54 7.68 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 115.589 -0.732 . . . . 72.230000000000004 109.254 171.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.765 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 9.7 pt-20 -75.24 -21.19 58.78 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 114.814 -1.084 . . . . 71.329999999999998 112.074 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -62.43 -39.22 92.62 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.875 0.87 . . . . 73.109999999999999 110.519 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.4 -46.73 88.93 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.73 -1.123 . . . . 65.340000000000003 109.94 173.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 82' ' ' LEU . 45.4 mt -70.14 -28.09 65.07 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 114.741 -1.118 . . . . 51.43 111.436 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' HA ' ' HG3' ' A' ' 94' ' ' LYS . 46.6 mt-10 -70.85 -48.41 54.06 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.488 0.493 . . . . 71.430000000000007 110.055 177.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.461 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 3.5 mm-40 -58.18 -37.26 74.4 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.655 0.597 . . . . 73.329999999999998 110.847 174.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -57.5 10.91 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.401 1.08 . . . . 74.450000000000003 109.6 177.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -71.26 -24.77 62.23 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.674 0.62 . . . . 64.299999999999997 112.674 -170.509 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -66.16 -34.75 78.75 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.701 0.4 . . . . 71.409999999999997 111.118 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 13.6 mptt -73.58 -52.99 11.59 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.91 0.484 . . . . 75.230000000000004 109.815 175.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.508 HG22 ' HB2' ' A' ' 102' ' ' TYR . 40.1 mm -61.71 -42.03 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.778 0.831 . . . . 75.129999999999995 111.872 -173.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.68 -41.77 95.82 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.612 0.765 . . . . 72.409999999999997 109.994 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.5 t -65.81 -28.66 69.16 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.326 0.65 . . . . 70.0 111.179 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 49.0 mt-30 -80.37 -5.39 56.36 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.889 0.876 . . . . 70.140000000000001 111.695 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.17 45.21 4.5 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.194 0.309 . . . . 45.020000000000003 112.735 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.508 ' HB2' HG22 ' A' ' 97' ' ' ILE . 92.9 m-85 -124.54 151.06 45.17 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.458 0.703 . . . . 71.109999999999999 109.699 175.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -80.38 115.27 19.83 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.249 -1.019 . . . . 74.329999999999998 108.249 172.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.453 HG23 ' HG ' ' A' ' 80' ' ' LEU . 4.8 p -139.34 136.37 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 122.902 0.481 . . . . 51.210000000000001 110.074 -178.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -129.15 146.66 51.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.104 0.562 . . . . 73.109999999999999 110.001 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.765 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.8 OUTLIER -112.19 119.06 37.07 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.773 -1.103 . . . . 55.210000000000001 108.315 -179.734 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.6 m -129.77 -176.8 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.519 1.128 . . . . 74.040000000000006 109.255 175.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.1 p -131.34 -57.19 1.01 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.353 0.661 . . . . 45.0 110.343 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.72 159.16 22.63 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.388 0.675 . . . . 73.030000000000001 111.968 -171.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.55 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . 6.6 m-20 -62.78 -59.36 4.98 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 124.68 1.192 . . . . 71.420000000000002 112.832 -176.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.32 -21.34 58.5 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.771 0.319 . . . . 75.230000000000004 111.057 -171.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.35 -47.75 75.36 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.214 -0.903 . . . . 73.340000000000003 110.024 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.482 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -62.07 -39.33 92.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.082 -0.963 . . . . 65.530000000000001 111.885 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.2 -36.78 75.97 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.442 0.697 . . . . 72.040000000000006 111.986 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -59.24 -44.22 92.37 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.113 0.565 . . . . 65.340000000000003 110.524 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 22.2 mm -72.48 -32.73 42.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.07 -0.968 . . . . 73.150000000000006 110.786 -175.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 86.1 t -60.93 -47.64 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.202 0.601 . . . . 74.310000000000002 109.587 172.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.453 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 97.4 mtt180 -60.83 -37.89 83.6 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 123.928 0.767 . . . . 73.019999999999996 110.882 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.444 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 29.8 mm-40 -61.7 -48.49 80.53 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.697 0.623 . . . . 74.519999999999996 110.471 174.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -60.78 -30.13 69.86 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.264 0.626 . . . . 71.109999999999999 111.803 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 77.4 mtp -75.78 -27.48 58.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.803 0.841 . . . . 63.210000000000001 111.202 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 22.5 mm-40 -73.74 -42.73 60.72 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.483 0.659 . . . . 75.310000000000002 109.28 175.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.444 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 53.2 mttm -69.3 -39.89 78.01 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 114.243 -1.344 . . . . 71.120000000000005 110.594 -177.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.0 -31.77 66.55 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.78 -0.645 . . . . 60.210000000000001 110.239 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.96 -36.75 92.7 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 115.729 -0.668 . . . . 73.450000000000003 111.629 171.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.1 m -75.4 -24.04 57.12 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.63 0.772 . . . . 55.210000000000001 111.602 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 96.7 mt . . . . . 0 N--CA 1.482 1.131 0 C-N-CA 122.915 0.486 . . . . 75.040000000000006 110.447 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 108.305 -0.998 . . . . 62.119999999999997 108.305 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -129.12 148.13 51.03 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.722 -0.844 . . . . 70.409999999999997 108.722 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.0 mt -91.75 105.65 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.201 -1.037 . . . . 71.209999999999994 108.201 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 mp -107.95 135.65 48.97 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.664 -0.865 . . . . 71.200000000000003 108.664 174.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.1 mt -123.66 111.12 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 107.62 -1.252 . . . . 74.129999999999995 107.62 169.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.585 HD21 ' SD ' ' A' ' 67' ' ' MET . 88.1 mt -89.89 129.73 36.21 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.371 0.668 . . . . 74.439999999999998 109.308 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.4 mm -117.92 117.98 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.615 -0.884 . . . . 63.340000000000003 108.615 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -129.87 102.57 6.36 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.609 -0.885 . . . . 51.450000000000003 108.609 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t -129.81 147.8 51.62 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.058 0.943 . . . . 61.240000000000002 110.047 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -62.09 -49.16 77.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.594 0.758 . . . . 73.209999999999994 109.898 176.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -86.41 117.1 24.99 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 121.165 0.507 . . . . 71.209999999999994 110.278 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.06 -27.25 65.47 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.163 0.985 . . . . 62.32 112.043 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.49 -29.81 68.11 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.694 0.798 . . . . 75.409999999999997 112.013 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.64 -41.05 93.05 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.256 -0.429 . . . . 71.150000000000006 111.323 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.545 HG21 ' HG2' ' A' ' 57' ' ' LYS . 33.3 mt -60.9 -37.28 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 123.291 0.369 . . . . 74.329999999999998 110.175 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -56.82 -39.47 74.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.001 0.92 . . . . 54.240000000000002 111.211 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -69.24 -47.79 63.72 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.147 -0.933 . . . . 74.150000000000006 110.102 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.69 -35.56 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.507 1.123 . . . . 55.509999999999998 111.017 -176.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -61.78 -56.59 17.86 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 115.557 -0.747 . . . . 72.129999999999995 110.038 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -68.75 -24.19 64.42 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.482 0.489 . . . . 54.409999999999997 111.536 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -62.06 -50.83 70.43 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.079 0.952 . . . . 74.109999999999999 110.435 173.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.432 HG12 ' SD ' ' A' ' 121' ' ' MET . 32.4 m -84.32 -25.79 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 115.718 -0.674 . . . . 71.230000000000004 112.465 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -68.06 -28.12 67.1 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.466 0.706 . . . . 54.130000000000003 111.12 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -54.36 -40.38 68.03 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.239 0.616 . . . . 71.409999999999997 110.049 170.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -97.67 11.54 36.72 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 114.791 -1.095 . . . . 75.549999999999997 112.696 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.28 37.61 27.7 Favored Glycine 0 C--N 1.346 1.131 0 N-CA-C 114.234 0.454 . . . . 73.439999999999998 114.234 171.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -89.78 122.79 33.19 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.807 0.443 . . . . 73.310000000000002 109.96 172.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -78.2 113.25 15.98 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.153 0.981 . . . . 62.119999999999997 109.284 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 55' ' ' LEU . 38.1 t -94.72 134.49 31.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 122.807 0.443 . . . . 60.539999999999999 110.386 -175.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -142.99 150.91 40.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.572 1.149 . . . . 73.0 108.242 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -116.93 150.09 39.08 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.871 0.868 . . . . 64.439999999999998 110.604 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.3 t -95.68 122.45 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 N-CA-C 108.262 -1.014 . . . . 42.539999999999999 108.262 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.615 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 40.9 m-80 -103.61 -11.08 17.93 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.921 0.489 . . . . 73.239999999999995 111.802 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -173.28 170.21 4.32 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.619 0.768 . . . . 75.129999999999995 109.922 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 t -62.41 -27.09 68.86 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.753 0.821 . . . . 71.340000000000003 110.895 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.45 -50.05 66.84 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.227 1.011 . . . . 72.430000000000007 109.231 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.615 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 16.4 mm-40 -63.06 -37.11 85.9 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.729 -1.123 . . . . 74.109999999999999 110.762 177.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.447 ' O ' ' HG2' ' A' ' 42' ' ' MET . 49.7 tp -58.25 -53.17 61.26 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 124.75 1.281 . . . . 64.230000000000004 110.759 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -69.06 -29.47 67.61 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 111.807 0.299 . . . . 73.510000000000005 111.807 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -59.06 -50.55 73.66 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.32 0.387 . . . . 65.400000000000006 110.531 172.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 6.1 pt-20 -77.36 -19.0 56.88 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.954 -0.546 . . . . 44.229999999999997 111.375 -179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.697 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 83.9 mmm -66.8 -28.96 68.8 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 118.4 0.546 . . . . 74.200000000000003 110.868 170.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -38.29 88.59 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 117.331 0.06 . . . . 74.409999999999997 111.137 167.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.65 -41.23 92.82 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 120.915 0.388 . . . . 74.230000000000004 110.418 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.0 mt -77.93 -46.23 21.79 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.751 0.82 . . . . 54.420000000000002 111.561 -175.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.56 -49.89 6.06 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.262 0.625 . . . . 71.420000000000002 112.576 -171.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -78.89 -47.45 16.49 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 120.63 0.252 . . . . 65.019999999999996 110.662 -172.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -82.78 76.69 9.61 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.852 0.834 . . . . 64.340000000000003 109.437 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -80.76 86.19 6.0 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.509 -1.223 . . . . 75.120000000000005 109.284 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -136.73 130.83 32.6 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 107.574 -1.269 . . . . 71.400000000000006 107.574 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -65.28 117.42 7.81 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.889 0.475 . . . . 55.409999999999997 109.908 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -160.22 168.19 25.94 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.33 0.652 . . . . 55.109999999999999 110.659 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -100.41 122.65 43.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.272 1.029 . . . . 63.439999999999998 109.895 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.9 mt -133.2 129.69 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.716 0.807 . . . . 64.230000000000004 109.812 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.426 ' HB3' HG22 ' A' ' 29' ' ' VAL . 26.3 tp -106.66 129.5 54.55 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 108.067 -1.086 . . . . 60.329999999999998 108.067 167.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.404 ' HB ' HD23 ' A' ' 6' ' ' LEU . 48.6 mm -108.74 128.12 64.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 109.517 -0.549 . . . . 74.239999999999995 109.517 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.545 ' HG2' HG21 ' A' ' 15' ' ' ILE . 13.9 tmtt? -97.7 130.45 44.68 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 124.978 1.311 . . . . 74.25 108.207 177.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.539 ' HB3' HD11 ' A' ' 64' ' ' LEU . 46.8 t -161.5 149.8 15.5 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.317 -0.623 . . . . 63.509999999999998 109.317 172.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -115.73 10.26 15.38 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.936 0.894 . . . . 71.209999999999994 109.384 173.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -119.18 104.13 10.15 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.272 1.029 . . . . 74.439999999999998 109.408 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -58.89 -24.91 62.86 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.493 1.117 . . . . 72.340000000000003 112.224 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.538 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 16.0 mm100 -61.43 -46.05 91.75 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.824 1.25 . . . . 71.209999999999994 111.92 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.0 mt -64.91 -33.29 75.68 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 114.895 -1.048 . . . . 72.219999999999999 110.824 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD11 ' HB3' ' A' ' 58' ' ' SER . 8.5 mp -70.87 -36.94 73.03 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.764 -0.653 . . . . 54.399999999999999 110.819 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.538 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 59.2 mtpt -57.95 -55.74 31.03 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.115 0.566 . . . . 73.340000000000003 110.457 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.81 -36.97 77.86 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 124.255 0.972 . . . . 75.329999999999998 111.278 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.697 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 46.6 ttm -62.32 -52.23 64.49 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.136 -0.938 . . . . 72.439999999999998 110.378 176.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.506 HD23 HD12 ' A' ' 71' ' ' ILE . 88.1 mt -68.66 -24.82 64.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.375 1.07 . . . . 72.109999999999999 112.215 -174.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 69.8 mm-40 -61.69 -42.28 98.71 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.178 0.513 . . . . 64.430000000000007 109.999 173.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.7 mt -83.72 -27.0 29.27 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.749 0.82 . . . . 75.239999999999995 111.956 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.506 HD12 HD23 ' A' ' 68' ' ' LEU . 81.0 mt -70.69 -29.93 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.106 0.562 . . . . 74.299999999999997 110.163 173.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.7 t -58.34 -25.42 61.93 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.473 0.709 . . . . 61.310000000000002 111.677 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -74.68 -34.21 62.62 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.554 0.742 . . . . 75.400000000000006 110.16 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 71' ' ' ILE . 40.4 mt -79.43 -49.91 11.61 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.394 1.078 . . . . 54.109999999999999 111.646 -174.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.15 89.16 0.31 Allowed Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.048 -0.524 . . . . 64.540000000000006 113.122 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -161.02 173.7 14.84 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.638 0.775 . . . . 75.319999999999993 110.899 172.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -71.89 111.38 7.1 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 115.246 -0.888 . . . . 53.039999999999999 111.353 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 71' ' ' ILE . 63.6 t -112.25 124.66 69.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 107.522 -1.288 . . . . 74.0 107.522 166.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -101.33 107.27 18.58 Favored 'General case' 0 C--O 1.226 -0.169 0 N-CA-C 108.205 -1.035 . . . . 73.219999999999999 108.205 -177.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.418 HD23 HG21 ' A' ' 97' ' ' ILE . 22.7 tp -104.49 132.12 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.579 -0.526 . . . . 74.329999999999998 109.579 -177.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.417 HD21 ' HB1' ' A' ' 113' ' ' ALA . 43.0 tp -123.67 126.84 47.3 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.297 -0.865 . . . . 70.129999999999995 109.006 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.549 HD11 ' HD2' ' A' ' 93' ' ' PHE . 71.0 mt -111.37 142.26 43.84 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.202 1.001 . . . . 73.409999999999997 108.446 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -147.63 123.97 10.93 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.896 0.379 . . . . 52.450000000000003 111.089 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -178.03 155.75 0.99 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.669 1.588 . . . . 74.439999999999998 107.821 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -62.21 -39.03 91.38 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.573 0.749 . . . . 75.040000000000006 111.5 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.84 90.53 4.08 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 107.819 -1.178 . . . . 72.019999999999996 107.819 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.464 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 11.8 pt-20 -66.29 -22.77 66.3 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.926 -1.033 . . . . 73.0 111.289 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -76.31 -37.88 56.82 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 124.194 0.998 . . . . 74.109999999999999 110.972 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -49.5 77.22 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 108.179 -1.045 . . . . 74.439999999999998 108.179 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 82' ' ' LEU . 70.7 mt -69.52 -33.89 73.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.821 -1.536 . . . . 70.540000000000006 111.546 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.435 ' HG2' ' HD2' ' A' ' 95' ' ' ARG . 36.1 tt0 -61.48 -51.55 68.22 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 123.414 0.446 . . . . 71.299999999999997 109.869 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.452 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 12.0 mm-40 -54.2 -36.16 63.16 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.124 0.89 . . . . 72.450000000000003 111.756 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.549 ' HD2' HD11 ' A' ' 82' ' ' LEU . 54.2 t80 -66.98 -56.37 10.43 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.557 -0.747 . . . . 75.340000000000003 110.64 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.462 ' HG2' ' HB2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -75.21 -19.48 59.76 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.539 -0.755 . . . . 64.549999999999997 112.743 -167.624 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.435 ' HD2' ' HG2' ' A' ' 91' ' ' GLU . 63.7 mtp180 -61.55 -46.66 88.99 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.502 0.501 . . . . 74.219999999999999 109.953 175.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 1.1 mptm? -71.79 -39.85 69.63 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.692 0.797 . . . . 62.130000000000003 110.342 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.525 HG22 ' HB2' ' A' ' 102' ' ' TYR . 50.6 mm -64.64 -38.45 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.36 0.664 . . . . 63.200000000000003 110.922 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.74 -36.06 82.51 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.749 0.82 . . . . 74.400000000000006 109.572 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.8 m -70.79 -28.61 64.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.201 0.601 . . . . 62.299999999999997 111.169 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 96.4 mt-30 -74.03 -18.1 60.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.048 0.539 . . . . 72.209999999999994 110.684 175.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.26 42.01 2.29 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.426 0.454 . . . . 72.5 112.738 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.525 ' HB2' HG22 ' A' ' 97' ' ' ILE . 76.1 m-85 -117.71 138.48 51.98 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.976 0.51 . . . . 73.400000000000006 110.87 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -73.99 101.01 3.71 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 108.049 -1.093 . . . . 75.239999999999995 108.049 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.4 p -133.96 134.59 55.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-N 116.131 -0.486 . . . . 72.430000000000007 110.657 -171.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -129.07 149.62 50.81 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.546 0.738 . . . . 73.0 109.672 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.464 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.5 OUTLIER -116.55 126.23 53.01 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.89 1.276 . . . . 60.450000000000003 108.342 -179.641 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.13 175.47 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.723 0.809 . . . . 74.319999999999993 110.106 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.0 p -127.62 -34.8 2.18 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.586 0.754 . . . . 65.400000000000006 110.653 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.46 149.01 21.56 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.119 0.568 . . . . 72.439999999999998 110.366 -176.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.71 -48.04 67.67 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.071 0.948 . . . . 73.219999999999999 110.72 175.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.45 -41.06 84.26 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.179 -0.919 . . . . 52.439999999999998 111.259 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -66.22 -43.47 86.56 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.342 1.057 . . . . 74.010000000000005 110.713 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -58.33 -44.85 88.88 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.098 0.874 . . . . 55.340000000000003 111.822 -179.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.47 -34.36 77.6 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 124.099 0.874 . . . . 73.239999999999995 111.895 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -62.61 -45.83 91.06 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.798 0.686 . . . . 53.049999999999997 109.699 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.9 mm -68.59 -32.84 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.357 0.663 . . . . 73.140000000000001 111.284 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 113' ' ' ALA . 69.2 t -60.47 -50.23 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.179 0.592 . . . . 71.430000000000007 109.673 173.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 82.7 mtt180 -61.66 -33.16 73.48 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.492 -0.776 . . . . 75.209999999999994 110.363 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.13 -52.45 59.07 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 123.787 0.68 . . . . 75.540000000000006 110.444 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.413 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 14.1 m-85 -53.57 -35.2 60.53 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.927 0.891 . . . . 65.409999999999997 112.082 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.432 ' SD ' HG12 ' A' ' 22' ' ' VAL . 89.2 mtp -76.45 -21.78 55.45 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.098 0.959 . . . . 64.319999999999993 111.651 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 22.7 mm-40 -72.79 -42.07 64.31 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 109.82 -0.437 . . . . 72.430000000000007 109.82 171.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 3.0 mptp? -64.62 -40.93 96.36 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 109.471 -0.566 . . . . 71.129999999999995 109.471 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 127' ' ' LEU . . . -64.61 -37.44 87.57 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.854 0.862 . . . . 72.239999999999995 110.672 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.65 94.18 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.302 -0.863 . . . . 70.030000000000001 112.272 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.2 m -63.91 -27.58 69.25 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.422 0.689 . . . . 64.120000000000005 111.869 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 124' ' ' ALA . 69.8 mt . . . . . 0 N--CA 1.481 1.079 0 C-N-CA 123.441 0.696 . . . . 63.130000000000003 110.281 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.331 -0.618 . . . . 64.310000000000002 109.331 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -148.56 153.02 37.8 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 109.407 -0.59 . . . . 72.530000000000001 109.407 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.501 HD12 ' HG2' ' A' ' 53' ' ' LYS . 75.4 mt -92.75 115.75 32.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 C-N-CA 123.715 0.806 . . . . 70.019999999999996 109.254 174.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.778 HD21 HD13 ' A' ' 45' ' ' LEU . 11.0 mp -112.96 133.64 54.83 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.262 -1.014 . . . . 72.230000000000004 108.262 166.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.435 HG12 ' HB2' ' A' ' 79' ' ' PHE . 37.3 mt -120.77 110.55 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 107.499 -1.297 . . . . 75.230000000000004 107.499 166.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.658 HD21 ' SD ' ' A' ' 67' ' ' MET . 88.6 mt -86.74 137.82 32.13 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.571 0.748 . . . . 64.209999999999994 109.011 178.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -122.88 116.99 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 108.006 -1.109 . . . . 65.329999999999998 108.006 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.422 ' HB3' HD23 ' A' ' 82' ' ' LEU . 27.3 t30 -127.79 101.0 6.17 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.667 -1.234 . . . . 63.450000000000003 107.667 171.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.2 t -130.97 146.23 52.3 Favored 'General case' 0 C--O 1.244 0.763 0 C-N-CA 123.914 0.886 . . . . 73.209999999999994 109.845 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -62.56 -43.84 97.82 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.505 0.722 . . . . 73.230000000000004 111.228 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -91.81 114.3 26.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.09 0.556 . . . . 72.409999999999997 110.348 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.37 -31.53 71.42 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.642 1.177 . . . . 74.420000000000002 112.057 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.71 -31.68 68.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.951 0.9 . . . . 73.129999999999995 112.034 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 18' ' ' ILE . 45.6 tp -66.97 -40.07 87.38 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.496 0.719 . . . . 73.120000000000005 110.619 175.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.56 HD13 ' HG3' ' A' ' 57' ' ' LYS . 34.0 mt -62.86 -41.34 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 122.728 0.411 . . . . 54.420000000000002 110.6 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -51.37 -36.3 42.62 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.882 0.873 . . . . 72.099999999999994 111.247 177.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -77.68 -44.12 29.04 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.22 1.008 . . . . 72.219999999999999 111.114 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.487 HG12 HG21 ' A' ' 117' ' ' VAL . 74.6 mt -62.79 -29.44 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.118 0.967 . . . . 75.129999999999995 111.064 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.551 ' HG2' HG11 ' A' ' 29' ' ' VAL . 57.7 mtpt -61.13 -57.85 10.79 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.058 0.543 . . . . 73.340000000000003 109.931 174.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.73 -26.05 67.57 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.046 0.538 . . . . 75.019999999999996 111.371 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.88 -54.81 32.9 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.073 0.949 . . . . 42.520000000000003 110.083 175.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.461 HG11 HD13 ' A' ' 55' ' ' LEU . 23.2 m -76.45 -23.19 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 115.863 -0.608 . . . . 72.409999999999997 112.113 -175.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.74 -26.07 68.2 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.565 0.746 . . . . 73.329999999999998 111.722 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -60.13 -28.98 68.33 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.82 0.448 . . . . 63.140000000000001 111.447 174.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.96 18.86 20.22 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.504 0.722 . . . . 44.310000000000002 111.785 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.57 24.02 73.76 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 114.925 0.73 . . . . 74.209999999999994 114.925 169.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -77.45 142.16 39.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.99 0.424 . . . . 63.109999999999999 110.17 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -78.81 160.33 27.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.036 1.334 . . . . 74.019999999999996 108.313 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.551 HG11 ' HG2' ' A' ' 19' ' ' LYS . 23.7 t -136.55 138.97 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 118.546 0.612 . . . . 74.019999999999996 109.466 173.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -137.99 143.34 40.59 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.683 0.793 . . . . 73.099999999999994 110.359 173.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.89 116.22 28.54 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.327 1.051 . . . . 74.120000000000005 108.553 172.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.541 HG12 HD13 ' A' ' 63' ' ' LEU . 73.0 t -97.91 108.43 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.403 -1.332 . . . . 63.32 107.403 167.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -107.65 -14.94 14.7 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.626 0.77 . . . . 71.340000000000003 111.476 -169.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -153.7 165.22 36.67 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.354 0.662 . . . . 53.43 109.752 -171.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 t -66.13 -31.72 72.75 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.115 0.966 . . . . 34.32 111.424 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.9 -43.09 80.09 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 108.574 -0.899 . . . . 64.439999999999998 108.574 175.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -61.11 -34.68 75.34 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.575 0.547 . . . . 73.420000000000002 111.239 174.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 67' ' ' MET . 36.6 tp -62.02 -54.74 37.29 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 124.096 0.872 . . . . 74.400000000000006 110.256 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -69.85 -25.52 63.77 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.49 -0.323 . . . . 75.329999999999998 111.295 -176.673 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 6.9 mmpt? -59.89 -57.84 11.12 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.509 0.324 . . . . 62.25 110.372 176.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.3 pp20? -76.47 -30.63 57.37 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.946 -0.57 . . . . 74.400000000000006 111.786 -176.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.744 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 50.1 mmm -64.05 -31.38 72.55 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 117.785 0.266 . . . . 71.120000000000005 111.472 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 6.3 mptp? -71.21 -29.22 64.87 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.572 0.349 . . . . 74.340000000000003 110.473 172.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -73.14 -34.69 66.23 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 110.013 -0.366 . . . . 73.019999999999996 110.013 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.778 HD13 HD21 ' A' ' 4' ' ' LEU . 35.0 mt -75.68 -28.42 58.65 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.033 0.933 . . . . 71.329999999999998 110.325 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.54 -50.06 8.63 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 123.226 0.611 . . . . 73.329999999999998 111.98 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -74.19 -45.88 45.58 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.075 0.465 . . . . 75.150000000000006 110.412 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -102.51 74.75 1.4 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.319 -0.993 . . . . 73.540000000000006 108.319 175.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.51 ' HD3' HD22 ' A' ' 74' ' ' LEU . 26.3 ttpp -89.52 16.21 8.06 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 121.974 0.892 . . . . 75.0 110.976 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -61.61 165.88 4.64 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.509 1.124 . . . . 72.230000000000004 110.817 172.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -71.89 128.66 36.44 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 110.058 -0.349 . . . . 72.310000000000002 110.058 -177.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -161.95 145.59 12.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.416 0.687 . . . . 71.349999999999994 109.524 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.501 ' HG2' HD12 ' A' ' 3' ' ' ILE . 86.9 mttt -93.78 105.13 17.18 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.104 0.961 . . . . 60.130000000000003 108.48 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.4 mt -125.34 134.8 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.212 0.605 . . . . 72.230000000000004 109.94 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.461 HD13 HG11 ' A' ' 22' ' ' VAL . 13.5 tp -106.55 110.71 22.99 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 125.238 1.415 . . . . 73.519999999999996 107.545 173.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.516 ' HB ' HD23 ' A' ' 6' ' ' LEU . 40.3 mm -93.54 125.13 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.325 0.583 . . . . 51.030000000000001 109.884 176.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.56 ' HG3' HD13 ' A' ' 15' ' ' ILE . 77.9 tttt -93.75 144.2 25.63 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.997 1.319 . . . . 64.25 110.21 175.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.491 ' HB3' HD11 ' A' ' 64' ' ' LEU . 31.3 t -167.46 174.15 8.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.611 1.165 . . . . 54.549999999999997 108.692 168.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -143.15 16.25 1.9 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.104 0.962 . . . . 61.439999999999998 109.322 173.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -128.08 99.75 5.6 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.382 1.073 . . . . 73.129999999999995 108.996 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -59.79 -14.33 14.27 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.905 1.282 . . . . 65.200000000000003 113.983 -176.888 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.496 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . 13.2 mm100 -62.53 -51.49 67.21 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.568 -0.53 . . . . 70.120000000000005 109.568 176.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.541 HD13 HG12 ' A' ' 32' ' ' VAL . 93.4 mt -55.53 -40.29 71.65 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.322 -1.308 . . . . 72.040000000000006 111.45 177.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' A' ' 58' ' ' SER . 9.2 mp -66.28 -42.96 87.66 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.497 0.719 . . . . 42.210000000000001 111.327 -177.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.496 ' HE2' ' HA ' ' A' ' 62' ' ' GLN . 58.5 mtmt -58.16 -55.12 39.03 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 109.893 -0.41 . . . . 74.430000000000007 109.893 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.57 -35.18 78.68 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 125.025 1.453 . . . . 74.5 111.795 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.744 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 52.2 ttm -58.64 -53.76 54.7 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.805 0.842 . . . . 65.319999999999993 110.132 174.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.505 HD23 HD12 ' A' ' 71' ' ' ILE . 65.3 mt -65.0 -29.35 70.27 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.305 1.003 . . . . 74.400000000000006 111.599 -175.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 10.7 mm-40 -64.77 -34.1 77.54 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.929 0.491 . . . . 73.209999999999994 110.946 176.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.6 mt -78.9 -35.0 44.27 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.381 0.672 . . . . 63.100000000000001 110.164 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.505 HD12 HD23 ' A' ' 68' ' ' LEU . 76.9 mt -66.81 -21.32 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.115 0.966 . . . . 71.310000000000002 110.592 175.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -56.37 -37.51 70.18 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.392 0.677 . . . . 75.140000000000001 111.08 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.61 -34.15 53.49 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.28 0.632 . . . . 53.409999999999997 111.21 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.51 HD22 ' HD3' ' A' ' 49' ' ' LYS . 89.6 mt -75.1 -37.63 61.45 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.603 0.761 . . . . 74.129999999999995 111.664 -173.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.61 78.43 0.2 Allowed Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.367 -0.833 . . . . 40.210000000000001 113.689 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -152.56 161.03 43.14 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.214 0.606 . . . . 73.540000000000006 110.588 170.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.423 ' NZ ' ' HB2' ' A' ' 103' ' ' GLU . 61.8 tttp -83.17 129.31 35.01 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.346 0.658 . . . . 73.010000000000005 110.672 -175.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.13 144.26 25.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 124.502 1.121 . . . . 73.349999999999994 109.179 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.435 ' HB2' HG12 ' A' ' 5' ' ' ILE . 77.5 m-85 -115.98 109.51 17.65 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.33 1.052 . . . . 74.209999999999994 109.209 -177.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.7 tp -109.28 123.31 49.06 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.984 -0.448 . . . . 70.439999999999998 110.468 -175.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.0 tp -103.82 128.24 51.26 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 123.287 0.635 . . . . 72.239999999999995 109.468 170.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.534 ' HB3' HD22 ' A' ' 90' ' ' LEU . 73.0 mt -115.42 124.3 50.82 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 107.853 -1.166 . . . . 74.010000000000005 107.853 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.11 116.42 11.9 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 111.894 0.331 . . . . 70.430000000000007 111.894 -172.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -177.72 155.7 1.05 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.143 1.377 . . . . 75.010000000000005 109.377 173.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -59.26 -37.34 77.34 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.102 0.961 . . . . 54.0 111.393 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -77.12 88.31 3.6 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.905 -1.146 . . . . 64.420000000000002 107.905 170.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.65 -13.52 61.01 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.896 -1.047 . . . . 62.130000000000003 110.962 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -58.22 -59.8 4.76 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.133 0.973 . . . . 73.0 111.508 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.07 -43.25 86.89 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.737 0.648 . . . . 71.319999999999993 110.449 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 82' ' ' LEU . 51.4 mt -62.92 -46.8 86.1 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 124.601 1.188 . . . . 72.5 111.253 -176.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 40.8 tt0 -70.97 -44.51 65.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.048 0.539 . . . . 54.439999999999998 110.711 -174.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.54 -37.62 88.19 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.631 0.372 . . . . 42.329999999999998 110.659 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -63.16 -48.95 76.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.724 0.81 . . . . 70.140000000000001 110.828 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -68.04 -26.56 65.93 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.999 -0.546 . . . . 63.310000000000002 111.612 -170.691 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 91.3 mtt-85 -57.46 -39.79 77.1 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.424 0.69 . . . . 72.439999999999998 111.366 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.91 -41.53 67.78 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.273 0.629 . . . . 74.109999999999999 110.277 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.536 ' HB ' HG11 ' A' ' 104' ' ' VAL . 25.9 mm -69.3 -38.93 78.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 C-N-CA 123.79 0.836 . . . . 73.099999999999994 110.264 -174.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -74.03 -32.97 63.58 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.855 1.262 . . . . 44.340000000000003 110.859 -175.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.1 t -66.91 -25.45 66.38 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.504 -0.771 . . . . 53.539999999999999 110.986 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -86.55 -4.25 59.14 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.039 0.936 . . . . 64.25 111.916 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.91 -6.52 54.37 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-O 119.955 -0.359 . . . . 75.109999999999999 113.701 177.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.466 ' HB2' HG22 ' A' ' 97' ' ' ILE . 48.8 m-85 -74.18 130.47 39.83 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.531 -0.544 . . . . 62.420000000000002 109.531 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 79' ' ' PHE . 8.5 tp10 -77.88 101.98 7.06 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.136 0.574 . . . . 75.430000000000007 109.548 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.536 HG11 ' HB ' ' A' ' 97' ' ' ILE . 4.2 p -127.7 127.49 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 121.236 0.541 . . . . 73.140000000000001 111.077 -175.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -117.0 157.49 25.7 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.018 -0.992 . . . . 73.340000000000003 109.228 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.95 146.02 51.84 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.62 0.768 . . . . 71.129999999999995 109.056 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.5 m -145.95 172.05 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.258 1.023 . . . . 75.019999999999996 110.771 -174.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.6 p -118.94 -21.07 7.89 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.951 0.9 . . . . 74.010000000000005 112.209 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -121.33 159.51 25.93 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 122.662 0.385 . . . . 73.230000000000004 111.266 -170.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.02 -59.16 3.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.097 1.359 . . . . 71.239999999999995 111.827 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -22.03 61.37 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.5 0.32 . . . . 54.130000000000003 111.202 -174.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.37 -45.1 70.14 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.877 0.871 . . . . 74.310000000000002 109.868 170.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.1 -40.2 88.79 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.402 0.681 . . . . 73.319999999999993 111.234 178.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.89 -38.17 81.49 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.308 1.005 . . . . 75.219999999999999 111.685 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -60.71 -40.49 92.48 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.445 0.698 . . . . 63.399999999999999 110.466 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 32.4 mm -77.76 -29.17 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 CA-C-N 115.205 -0.907 . . . . 64.200000000000003 111.013 -175.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.487 HG21 HG12 ' A' ' 18' ' ' ILE . 86.5 t -59.44 -44.96 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 108.922 -0.77 . . . . 71.239999999999995 108.922 170.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 38.3 mtp180 -58.92 -45.74 89.63 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 124.465 1.103 . . . . 63.350000000000001 109.908 177.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.444 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 59.7 mm-40 -54.11 -53.75 48.97 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 123.92 0.762 . . . . 51.409999999999997 110.641 177.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -59.94 -36.66 77.54 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.318 0.647 . . . . 60.329999999999998 112.133 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 76.2 mtp -68.93 -34.58 75.61 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.49 0.716 . . . . 64.530000000000001 111.719 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 11.4 mm100 -75.25 -46.74 31.81 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.873 0.469 . . . . 74.120000000000005 110.316 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 14.3 mptt -66.91 -31.46 72.06 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.568 -0.742 . . . . 51.539999999999999 110.943 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.21 56.49 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.383 0.673 . . . . 75.430000000000007 110.808 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.85 -35.45 82.61 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.224 -0.351 . . . . 53.130000000000003 112.224 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.5 m -64.97 -24.36 67.49 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.4 1.08 . . . . 73.219999999999999 112.681 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 N--CA 1.481 1.12 0 C-N-CA 122.903 0.481 . . . . 73.420000000000002 111.271 -177.636 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.84 -0.429 . . . . 63.340000000000003 109.84 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -145.66 145.23 30.84 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.938 -1.134 . . . . 62.130000000000003 107.938 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.494 HG21 ' HB1' ' A' ' 124' ' ' ALA . 66.1 mt -119.26 108.58 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.815 -0.809 . . . . 72.010000000000005 108.815 177.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.612 HD11 HD22 ' A' ' 45' ' ' LEU . 10.3 mp -99.95 141.15 33.16 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.12 0.568 . . . . 62.329999999999998 109.82 174.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.422 ' HB ' HD12 ' A' ' 55' ' ' LEU . 56.3 mt -121.63 111.38 30.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 N-CA-C 106.177 -1.786 . . . . 64.549999999999997 106.177 162.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.482 HD23 ' HB ' ' A' ' 56' ' ' ILE . 83.4 mt -88.48 130.58 35.18 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 108.667 -0.864 . . . . 73.530000000000001 108.667 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.0 mm -119.26 115.11 46.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.386 -0.968 . . . . 73.439999999999998 108.386 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.439 ' HB2' HD21 ' A' ' 64' ' ' LEU . 28.8 t-20 -124.91 102.59 7.61 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.428 -1.323 . . . . 65.019999999999996 107.428 172.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 10.2 t -129.8 144.97 51.56 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.679 -0.691 . . . . 53.530000000000001 109.829 176.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -65.16 -49.14 71.02 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 124.171 0.92 . . . . 72.219999999999999 110.424 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -80.83 101.19 9.23 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 109.38 -0.6 . . . . 71.420000000000002 109.38 176.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.98 -17.88 58.57 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.667 1.187 . . . . 73.239999999999995 111.697 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.38 -41.66 89.87 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.702 1.201 . . . . 71.120000000000005 111.11 173.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.27 -35.16 74.87 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.865 0.866 . . . . 63.530000000000001 111.606 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.586 HG21 ' HG3' ' A' ' 57' ' ' LYS . 76.0 mt -60.25 -40.99 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.494 0.718 . . . . 64.319999999999993 111.144 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -54.79 -39.73 68.73 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.334 0.588 . . . . 65.430000000000007 111.248 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 53.2 mtpt -73.55 -46.12 49.35 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 114.589 -1.187 . . . . 74.25 110.335 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.23 -36.26 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.207 1.003 . . . . 64.299999999999997 110.978 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.515 ' HG2' HG11 ' A' ' 29' ' ' VAL . 59.2 mtpt -60.7 -55.91 27.61 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 115.705 -0.679 . . . . 71.439999999999998 109.589 176.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -67.4 -21.16 65.6 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.653 -0.703 . . . . 70.25 112.328 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 16.2 mm-40 -65.48 -54.38 29.11 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.854 0.462 . . . . 64.329999999999998 110.633 168.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.58 HG11 HD13 ' A' ' 55' ' ' LEU . 28.5 m -76.67 -30.32 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 113.048 0.759 . . . . 73.439999999999998 113.048 -170.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.4 -21.34 66.66 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.349 0.66 . . . . 55.409999999999997 112.53 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -61.51 -36.34 80.25 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.854 0.462 . . . . 74.230000000000004 111.732 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -99.51 19.63 15.34 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.654 0.781 . . . . 72.030000000000001 111.904 -176.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.91 37.9 60.49 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.862 -0.608 . . . . 64.010000000000005 114.189 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.68 124.28 33.4 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 109.409 -0.589 . . . . 74.530000000000001 109.409 170.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -80.07 115.94 19.91 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.758 -0.83 . . . . 75.239999999999995 108.758 170.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.515 HG11 ' HG2' ' A' ' 19' ' ' LYS . 23.3 t -87.93 127.45 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 109.83 -0.433 . . . . 63.509999999999998 109.83 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.01 109.75 19.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.26 1.024 . . . . 62.409999999999997 108.492 -177.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -83.01 110.17 17.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.76 -0.83 . . . . 73.439999999999998 108.76 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.452 HG12 HD13 ' A' ' 63' ' ' LEU . 87.6 t -109.58 123.53 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.27 -1.011 . . . . 74.239999999999995 108.27 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.406 ' HA ' ' OD1' ' A' ' 59' ' ' ASN . 32.5 m-80 -108.75 -39.8 5.25 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.584 0.754 . . . . 73.319999999999993 110.989 -177.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -134.44 171.13 14.73 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.097 0.959 . . . . 74.319999999999993 109.523 -168.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.6 t -68.56 -23.52 64.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.275 0.63 . . . . 74.219999999999999 111.073 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 18.4 t70 -66.56 -50.95 61.44 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.618 0.767 . . . . 75.340000000000003 109.351 170.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 15.7 mm-40 -57.19 -35.54 69.73 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.158 0.911 . . . . 62.130000000000003 110.728 175.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' A' ' 66' ' ' GLU . 51.2 tp -64.45 -57.9 7.96 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.442 -0.799 . . . . 73.0 111.37 -178.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -63.8 -33.46 75.73 Favored 'General case' 0 C--N 1.362 1.148 0 O-C-N 123.68 0.613 . . . . 74.200000000000003 110.962 -176.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -52.16 -51.6 57.0 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.779 0.831 . . . . 73.5 110.559 170.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 20.5 mm-40 -79.19 -17.2 55.33 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.289 -0.414 . . . . 73.340000000000003 111.727 -179.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.428 ' SD ' HD12 ' A' ' 45' ' ' LEU . 94.2 mmm -71.49 -19.82 62.15 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 117.848 0.295 . . . . 75.040000000000006 111.012 172.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.86 -43.2 90.77 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 109.658 -0.497 . . . . 72.549999999999997 109.658 163.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 31.7 mmmt -70.45 -41.0 73.4 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.677 0.791 . . . . 54.32 112.257 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.612 HD22 HD11 ' A' ' 4' ' ' LEU . 66.2 mt -82.37 -41.17 20.33 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.976 0.51 . . . . 73.219999999999999 111.225 -173.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.49 -41.14 10.99 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.85 0.685 . . . . 43.210000000000001 112.85 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -93.69 -3.45 52.33 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 112.304 0.483 . . . . 63.420000000000002 112.304 -176.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 86.3 mt-10 -121.86 108.31 13.3 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.971 -0.751 . . . . 74.019999999999996 108.971 171.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.38 -0.6 43.37 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.059 0.944 . . . . 72.430000000000007 110.346 178.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.94 140.68 56.54 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.539 0.524 . . . . 73.409999999999997 110.635 175.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -62.31 125.05 22.55 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.705 0.628 . . . . 72.109999999999999 111.771 -173.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -162.87 144.41 10.06 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 123.435 0.694 . . . . 70.129999999999995 109.923 177.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -99.5 105.03 16.89 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.595 -0.891 . . . . 53.030000000000001 108.595 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.3 mt -110.55 124.49 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.152 0.581 . . . . 53.140000000000001 109.911 -177.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.58 HD13 HG11 ' A' ' 22' ' ' VAL . 13.5 tp -84.73 105.35 15.45 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.651 -1.24 . . . . 73.349999999999994 107.651 169.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.576 HD11 HD21 ' A' ' 45' ' ' LEU . 16.4 mm -90.76 117.55 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 108.772 -0.825 . . . . 72.129999999999995 108.772 177.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.586 ' HG3' HG21 ' A' ' 15' ' ' ILE . 11.6 tmtt? -91.9 142.57 27.42 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.41 -0.959 . . . . 61.140000000000001 108.41 171.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.2 t -154.41 129.98 9.92 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 123.858 0.723 . . . . 75.209999999999994 109.488 168.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.406 ' OD1' ' HA ' ' A' ' 33' ' ' ASN . 2.8 p-10 -88.31 1.03 55.46 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.577 0.751 . . . . 63.140000000000001 111.052 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -127.59 128.99 46.5 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.195 0.598 . . . . 63.020000000000003 110.273 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -69.85 -22.71 63.25 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.524 1.13 . . . . 74.120000000000005 112.983 -176.547 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.466 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 28.8 mt-30 -70.96 -31.21 67.71 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.576 0.351 . . . . 75.129999999999995 110.693 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.452 HD13 HG12 ' A' ' 32' ' ' VAL . 44.2 mt -66.49 -34.95 79.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.532 -0.758 . . . . 62.509999999999998 110.475 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 8' ' ' ASN . 8.8 mp -63.51 -39.39 94.32 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.528 -0.76 . . . . 75.409999999999997 110.161 175.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 12.4 mmmm -66.83 -56.92 8.24 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 123.335 0.397 . . . . 70.140000000000001 111.773 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.496 ' HB2' HD21 ' A' ' 38' ' ' LEU . 35.5 mt-10 -53.81 -39.84 65.84 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 123.925 0.766 . . . . 74.530000000000001 110.5 -178.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.432 ' HB2' HD11 ' A' ' 38' ' ' LEU . 27.4 ttm -62.58 -57.33 11.48 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.828 -1.078 . . . . 50.119999999999997 110.548 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 71' ' ' ILE . 64.8 mt -65.1 -28.66 69.6 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.035 0.934 . . . . 75.340000000000003 112.814 -173.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 43.1 mm-40 -66.52 -40.44 89.15 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.15 0.5 . . . . 71.310000000000002 109.943 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.0 mt -76.78 -28.58 55.7 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.537 -0.756 . . . . 64.140000000000001 110.86 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.502 HD12 HD23 ' A' ' 68' ' ' LEU . 80.2 mt -69.0 -32.63 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.368 0.667 . . . . 54.100000000000001 110.234 175.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -60.06 -31.5 70.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.968 0.507 . . . . 73.5 110.475 175.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.78 -40.74 61.0 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.685 0.794 . . . . 52.240000000000002 111.019 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 78.7 mt -68.66 -41.09 79.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.884 0.874 . . . . 75.340000000000003 112.222 -175.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.12 74.07 0.96 Allowed Glycine 0 C--N 1.343 0.938 0 CA-C-N 115.851 -0.613 . . . . 73.030000000000001 113.857 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.419 ' CE1' HD13 ' A' ' 4' ' ' LEU . 35.3 p90 -149.99 168.41 23.91 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.48 0.712 . . . . 73.439999999999998 110.367 168.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.437 ' HD2' HD11 ' A' ' 127' ' ' LEU . 2.9 tmtp? -87.09 131.17 34.22 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.494 0.717 . . . . 74.540000000000006 109.737 -174.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.42 HG21 HG21 ' A' ' 71' ' ' ILE . 81.5 t -126.96 140.81 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.94 0.896 . . . . 74.239999999999995 110.161 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -102.64 152.07 21.62 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.774 1.229 . . . . 74.239999999999995 108.282 170.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.5 tp -140.41 136.64 33.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.146 0.579 . . . . 75.230000000000004 109.776 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.567 HD13 HG21 ' A' ' 116' ' ' ILE . 37.8 tp -128.66 117.96 22.08 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.291 1.036 . . . . 61.210000000000001 108.858 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.421 HD11 ' HD2' ' A' ' 93' ' ' PHE . 61.7 mt -101.64 134.74 44.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.737 -1.208 . . . . 24.43 107.737 174.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -146.49 111.73 5.45 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.048 0.385 . . . . 42.299999999999997 110.604 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.432 ' HB3' HD11 ' A' ' 90' ' ' LEU . 13.8 t0 -162.53 150.58 14.22 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.124 -0.695 . . . . 65.349999999999994 109.124 175.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -55.92 -43.63 77.55 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.768 1.227 . . . . 74.409999999999997 110.366 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.71 107.17 15.14 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.558 -1.275 . . . . 50.340000000000003 107.558 170.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.06 -14.07 34.58 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.478 -0.783 . . . . 72.310000000000002 111.889 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.16 -52.25 66.14 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.999 0.919 . . . . 64.150000000000006 112.392 -168.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.67 -44.81 92.68 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.349 0.405 . . . . 54.039999999999999 110.417 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 84' ' ' ASP . 80.4 mt -63.32 -28.82 70.27 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.07 -0.968 . . . . 72.349999999999994 111.282 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.14 -46.23 78.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.127 0.971 . . . . 72.439999999999998 110.498 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -69.25 -39.84 78.22 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.507 -0.769 . . . . 65.349999999999994 109.646 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.447 ' O ' HG12 ' A' ' 97' ' ' ILE . 34.1 t80 -59.34 -47.7 84.41 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 114.311 -1.313 . . . . 74.519999999999996 111.163 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -26.98 65.65 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.271 -0.422 . . . . 61.32 112.074 -177.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -66.97 -36.9 83.24 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.912 0.485 . . . . 54.130000000000003 110.211 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -64.8 -53.34 48.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.664 0.786 . . . . 71.140000000000001 110.305 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.455 HG22 ' HB2' ' A' ' 102' ' ' TYR . 32.5 mm -68.64 -35.53 70.44 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 CA-C-N 114.935 -1.029 . . . . 71.25 111.093 -171.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.17 -45.37 94.91 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.579 -0.737 . . . . 62.420000000000002 109.697 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -67.16 -27.38 67.24 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.533 -0.758 . . . . 75.019999999999996 111.031 -176.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -78.43 -6.25 54.74 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.528 0.731 . . . . 72.409999999999997 112.449 177.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.48 17.38 39.45 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 113.784 0.274 . . . . 54.25 113.784 173.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.455 ' HB2' HG22 ' A' ' 97' ' ' ILE . 68.7 m-85 -99.55 151.79 20.76 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.007 0.523 . . . . 71.209999999999994 109.853 174.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -79.8 128.17 33.11 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 108.487 -0.931 . . . . 65.010000000000005 108.487 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.9 p -141.14 134.92 31.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.317 0.579 . . . . 73.239999999999995 110.439 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -122.64 135.82 54.71 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.504 1.122 . . . . 75.329999999999998 108.112 172.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -117.4 115.33 24.99 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.63 -0.878 . . . . 53.109999999999999 108.63 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.2 m -123.58 -178.78 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 124.65 1.18 . . . . 61.299999999999997 110.06 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.2 p -128.64 -51.96 1.25 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.273 0.629 . . . . 62.109999999999999 110.06 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.94 154.07 40.7 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 112.872 0.693 . . . . 74.230000000000004 112.872 -171.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.8 -54.16 46.05 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.764 1.225 . . . . 64.219999999999999 110.437 176.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.14 -36.73 68.6 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.365 1.066 . . . . 74.439999999999998 111.39 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.535 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.0 tt0 -79.42 -33.95 42.15 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 114.258 -1.337 . . . . 75.120000000000005 110.346 -172.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -66.88 -49.07 66.82 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.707 0.403 . . . . 74.239999999999995 111.037 174.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.06 -36.54 79.88 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.665 0.786 . . . . 63.25 112.184 -176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -72.96 -26.45 61.37 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 110.42 -0.215 . . . . 73.319999999999993 110.42 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.567 HG21 HD13 ' A' ' 81' ' ' LEU . 49.3 mm -73.42 -41.45 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.549 0.339 . . . . 71.310000000000002 110.172 173.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 113' ' ' ALA . 74.5 t -56.74 -53.77 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.629 0.771 . . . . 72.230000000000004 110.975 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -62.45 -32.5 73.38 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.489 -0.778 . . . . 71.519999999999996 110.974 -176.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -74.77 -39.17 61.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.309 0.644 . . . . 74.540000000000006 111.577 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -59.33 -33.24 70.88 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.307 0.643 . . . . 60.009999999999998 111.057 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 71.3 mtp -68.02 -30.29 69.49 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.104 0.962 . . . . 65.0 111.384 176.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.34 -46.58 54.91 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.378 0.671 . . . . 73.019999999999996 110.448 176.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 13.3 mptt -69.31 -29.83 67.76 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.284 -0.416 . . . . 45.229999999999997 110.707 179.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.494 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -70.59 -35.51 73.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 122.998 0.519 . . . . 61.219999999999999 110.324 173.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.73 -34.56 90.22 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.655 -0.702 . . . . 42.25 112.477 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.1 m -64.87 -32.79 74.66 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.395 0.678 . . . . 53.119999999999997 110.518 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.437 HD11 ' HD2' ' A' ' 77' ' ' LYS . 97.6 mt . . . . . 0 N--CA 1.476 0.836 0 C-N-CA 123.258 0.623 . . . . 54.340000000000003 111.444 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 tpt . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 108.793 -0.818 . . . . 73.310000000000002 108.793 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -157.77 175.94 13.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.253 0.621 . . . . 75.299999999999997 110.287 176.413 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.464 HD12 ' HG2' ' A' ' 53' ' ' LYS . 74.2 mt -110.08 124.78 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.967 0.907 . . . . 55.030000000000001 109.343 -178.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -112.75 137.44 51.06 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.239 0.616 . . . . 75.340000000000003 109.674 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.495 ' HB ' HD12 ' A' ' 55' ' ' LEU . 30.6 mt -115.44 103.59 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 107.062 -1.459 . . . . 71.400000000000006 107.062 162.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.48 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -85.84 129.59 34.79 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.529 1.132 . . . . 72.349999999999994 108.993 -178.16 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.6 mm -123.63 120.42 59.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 C-N-CA 124.136 0.975 . . . . 74.319999999999993 109.099 -178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.585 ' HB2' HD21 ' A' ' 64' ' ' LEU . 24.9 t-20 -122.89 103.35 8.56 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.433 -1.321 . . . . 51.009999999999998 107.433 171.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.484 ' HB ' HG12 ' A' ' 15' ' ' ILE . 89.4 m -127.93 128.8 45.75 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.517 -1.22 . . . . 70.140000000000001 108.368 178.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -71.75 -28.76 63.86 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 123.441 0.463 . . . . 61.049999999999997 110.37 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -98.02 96.23 8.01 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.04 -1.096 . . . . 70.239999999999995 108.04 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -60.78 -26.41 67.25 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.285 1.034 . . . . 74.340000000000003 113.027 -170.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -57.06 -39.04 74.13 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.182 0.593 . . . . 61.049999999999997 111.559 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -71.4 -33.26 69.32 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.715 0.806 . . . . 63.399999999999999 110.859 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.49 HG21 ' HG3' ' A' ' 57' ' ' LYS . 49.0 mt -59.45 -46.53 92.7 Favored 'Isoleucine or valine' 0 C--N 1.365 1.271 0 N-CA-C 109.639 -0.504 . . . . 63.350000000000001 109.639 174.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 51.8 mtpt -56.39 -39.16 72.54 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 123.973 0.795 . . . . 62.109999999999999 111.081 -177.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -65.41 -44.08 88.53 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.514 0.726 . . . . 63.219999999999999 111.006 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.76 -37.37 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 C-N-CA 124.153 0.981 . . . . 72.409999999999997 111.265 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.539 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 59.8 mtpt -63.06 -40.35 97.44 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.548 0.739 . . . . 72.140000000000001 110.225 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 33.5 mmtp -66.45 -46.41 76.5 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 115.755 -0.657 . . . . 73.140000000000001 110.025 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -49.36 -53.22 23.44 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.359 1.064 . . . . 40.149999999999999 111.796 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.709 HG11 HD13 ' A' ' 55' ' ' LEU . 32.8 m -71.35 -35.05 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 115.122 -0.944 . . . . 64.549999999999997 111.593 -176.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -70.98 -19.51 62.53 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.568 0.581 . . . . 75.109999999999999 112.568 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -65.15 -26.08 68.02 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 118.072 0.396 . . . . 70.239999999999995 110.626 168.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -111.02 20.82 17.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.554 0.741 . . . . 71.430000000000007 110.954 174.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.31 31.26 71.47 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 115.811 1.085 . . . . 51.100000000000001 115.811 167.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 4.8 m-85 -78.1 139.94 39.05 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.739 0.769 . . . . 73.400000000000006 109.829 172.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -81.15 118.5 22.6 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.829 0.852 . . . . 64.010000000000005 108.774 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -97.82 133.1 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 121.869 -0.519 . . . . 74.540000000000006 109.927 -176.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 ttm-85 -134.14 114.2 12.87 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.386 1.074 . . . . 74.219999999999999 108.565 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.538 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 1.4 m-20 -97.41 139.9 32.66 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.945 0.898 . . . . 75.030000000000001 110.593 -170.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.2 t -128.23 113.54 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 107.885 -1.154 . . . . 73.200000000000003 107.885 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -102.41 -20.91 14.37 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.295 0.638 . . . . 74.409999999999997 110.115 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -146.13 160.36 42.04 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.922 0.489 . . . . 71.140000000000001 111.751 -171.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 m -56.76 -33.44 66.59 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.513 1.525 . . . . 62.240000000000002 113.185 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 23.7 t70 -60.04 -51.1 71.09 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.874 0.87 . . . . 61.0 109.97 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 50.0 mt-10 -65.94 -33.15 75.15 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.137 -0.938 . . . . 73.219999999999999 110.539 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' A' ' 63' ' ' LEU . 50.5 tp -55.06 -59.15 5.15 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.079 0.552 . . . . 75.109999999999999 110.839 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -33.47 75.88 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.853 0.721 . . . . 71.219999999999999 111.407 -176.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 9.9 mtmp? -61.21 -52.68 63.76 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.295 0.372 . . . . 75.549999999999997 111.53 174.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 4.2 mm-40 -72.25 -27.88 62.78 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.809 -0.178 . . . . 75.430000000000007 110.628 -174.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.564 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 90.0 mmm -67.74 -34.78 77.51 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.655 0.382 . . . . 64.109999999999999 110.864 175.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -42.44 99.44 Favored 'General case' 0 C--O 1.209 -1.075 0 N-CA-C 109.516 -0.55 . . . . 73.019999999999996 109.516 170.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HA ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -59.77 -38.99 83.37 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.597 0.359 . . . . 74.430000000000007 111.508 178.238 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 80.2 mt -74.74 -26.86 60.08 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.557 0.743 . . . . 75.109999999999999 111.651 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.99 -38.08 15.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.762 0.825 . . . . 72.430000000000007 112.785 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -77.54 -56.97 4.08 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.791 0.836 . . . . 75.200000000000003 109.469 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -74.72 125.59 29.06 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 108.254 -1.017 . . . . 72.340000000000003 108.254 176.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -104.05 -1.02 28.04 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.556 0.742 . . . . 73.120000000000005 110.035 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -59.23 139.62 56.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.356 1.462 . . . . 73.420000000000002 112.474 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -77.32 122.3 24.93 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.758 0.823 . . . . 70.450000000000003 109.747 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 10.9 tp10 -160.35 137.53 9.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.583 0.753 . . . . 74.5 109.549 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HG2' HD12 ' A' ' 3' ' ' ILE . 34.0 mtmm -88.56 94.96 10.05 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.828 -0.804 . . . . 74.129999999999995 108.828 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.0 mt -103.33 122.55 55.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 115.314 -0.857 . . . . 74.030000000000001 110.09 -176.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.709 HD13 HG11 ' A' ' 22' ' ' VAL . 10.4 tp -79.72 109.23 13.93 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 107.723 -1.214 . . . . 62.100000000000001 107.723 169.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.8 mm -90.0 114.38 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 108.614 -0.884 . . . . 73.099999999999994 108.614 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.538 ' HB3' ' HA ' ' A' ' 31' ' ' ASP . 1.4 tmtp? -91.17 135.9 33.46 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.648 -1.241 . . . . 64.140000000000001 107.648 169.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.3 t -150.33 117.12 5.85 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.291 -1.003 . . . . 52.140000000000001 108.291 172.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -70.99 -43.5 67.87 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.854 0.862 . . . . 61.310000000000002 111.158 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -95.86 126.99 41.5 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.12 -0.491 . . . . 75.310000000000002 110.849 -171.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -59.58 -28.62 67.31 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.842 1.657 . . . . 55.219999999999999 112.9 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -57.45 -47.51 81.63 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.661 0.785 . . . . 72.299999999999997 109.832 176.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.451 ' HB3' HD13 ' A' ' 38' ' ' LEU . 49.7 mt -60.26 -36.61 78.18 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 113.813 -1.539 . . . . 64.420000000000002 110.988 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' A' ' 8' ' ' ASN . 7.9 mp -66.72 -46.2 76.26 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.902 0.751 . . . . 70.400000000000006 111.798 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -56.58 -53.77 53.66 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.905 0.753 . . . . 72.010000000000005 109.965 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.79 -40.27 87.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.47 1.108 . . . . 75.310000000000002 111.385 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.564 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 38.5 ttm -61.53 -52.47 64.34 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.483 1.113 . . . . 75.219999999999999 110.123 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.564 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 44.9 mt -70.64 -29.56 65.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.287 1.035 . . . . 65.340000000000003 112.069 -172.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.91 -33.71 76.67 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.267 0.627 . . . . 74.400000000000006 110.969 173.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.9 mt -82.56 -31.75 28.91 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.515 0.726 . . . . 64.109999999999999 110.834 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.564 ' HB ' ' HA ' ' A' ' 68' ' ' LEU . 39.9 mt -65.47 -26.01 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.421 1.088 . . . . 73.129999999999995 110.309 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 t -61.5 -27.0 68.28 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.308 0.643 . . . . 74.430000000000007 111.795 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -83.25 -37.21 23.83 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.258 0.623 . . . . 73.329999999999998 110.671 172.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.79 -33.57 75.07 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.413 0.685 . . . . 75.450000000000003 112.178 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.79 64.95 3.64 Favored Glycine 0 C--N 1.349 1.261 0 N-CA-C 114.339 0.496 . . . . 51.240000000000002 114.339 173.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.67 170.88 14.94 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.854 0.461 . . . . 71.430000000000007 110.907 175.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HG2' HD11 ' A' ' 127' ' ' LEU . 54.0 tptt -76.45 127.05 32.09 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.656 -0.702 . . . . 73.299999999999997 110.597 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.436 HG11 HD21 ' A' ' 68' ' ' LEU . 58.0 t -122.29 133.08 69.64 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 123.848 0.859 . . . . 74.0 109.076 173.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.52 107.42 17.06 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 107.592 -1.262 . . . . 61.020000000000003 107.592 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 6' ' ' LEU . 22.8 tp -107.41 130.94 54.75 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.348 0.522 . . . . 73.400000000000006 111.062 -173.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 116' ' ' ILE . 32.2 tp -119.29 134.31 55.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.001 0.92 . . . . 71.299999999999997 109.507 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.523 ' HB3' HD22 ' A' ' 90' ' ' LEU . 74.2 mt -119.18 94.03 4.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.299 1.04 . . . . 70.120000000000005 109.038 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.98 110.97 22.83 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.967 0.507 . . . . 73.409999999999997 111.94 -175.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.444 ' HB3' HD11 ' A' ' 90' ' ' LEU . 24.1 t70 -165.55 156.74 14.06 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.467 0.707 . . . . 74.329999999999998 110.637 173.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.466 ' HA ' HG23 ' A' ' 108' ' ' THR . 97.3 mt-30 -58.12 -41.23 83.18 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.007 1.323 . . . . 65.329999999999998 111.763 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.48 101.61 7.42 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 108.415 -0.957 . . . . 73.200000000000003 108.415 169.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -83.68 -15.98 46.75 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.031 -0.986 . . . . 75.5 111.294 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -62.76 -57.52 10.63 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.419 1.088 . . . . 75.510000000000005 112.504 -168.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.2 -39.63 86.35 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.133 0.573 . . . . 63.100000000000001 111.043 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 82' ' ' LEU . 97.1 mt -65.14 -30.79 71.75 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.562 -0.744 . . . . 72.510000000000005 111.376 178.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.99 -37.29 84.29 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.886 0.875 . . . . 64.439999999999998 110.274 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -77.29 -44.51 29.43 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.867 -1.061 . . . . 74.409999999999997 109.955 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.47 -48.41 65.91 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.717 1.207 . . . . 72.200000000000003 111.185 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -61.72 -31.41 71.56 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.859 0.724 . . . . 71.329999999999998 112.004 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.33 -35.24 79.01 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.524 0.73 . . . . 63.340000000000003 111.754 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -65.03 -53.24 49.1 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 123.991 0.807 . . . . 72.120000000000005 108.948 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.588 HG22 ' HB2' ' A' ' 102' ' ' TYR . 24.1 mm -65.11 -37.65 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 115.259 -0.882 . . . . 62.43 111.031 -172.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.44 -35.75 71.02 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.416 -0.811 . . . . 74.510000000000005 110.742 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -73.3 -26.66 61.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.3 0.64 . . . . 71.219999999999999 110.637 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -75.99 -10.41 59.4 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.641 0.776 . . . . 75.230000000000004 111.204 174.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.14 43.29 3.3 Favored Glycine 0 C--N 1.355 1.608 0 O-C-N 123.347 0.404 . . . . 73.109999999999999 113.029 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.588 ' HB2' HG22 ' A' ' 97' ' ' ILE . 84.9 m-85 -125.21 155.27 40.29 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.113 0.565 . . . . 73.439999999999998 109.86 175.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -89.37 110.74 21.51 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.375 -0.972 . . . . 73.109999999999999 108.375 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.477 HG11 ' HB ' ' A' ' 97' ' ' ILE . 2.6 p -138.04 125.39 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 123.207 0.603 . . . . 70.209999999999994 111.272 -175.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -109.81 158.56 18.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.465 1.106 . . . . 64.140000000000001 109.442 172.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -129.27 127.84 42.0 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.24 1.016 . . . . 74.140000000000001 108.404 179.01 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.417 HG22 HD11 ' A' ' 81' ' ' LEU . 28.9 m -132.12 178.73 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.709 0.804 . . . . 74.409999999999997 110.946 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 85' ' ' GLN . 85.5 m -144.75 -30.03 0.45 Allowed 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 114.269 -1.332 . . . . 72.439999999999998 110.487 -174.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 112' ' ' GLU . 12.4 t70 -94.74 157.38 15.97 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 124.218 1.007 . . . . 74.219999999999999 110.815 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.06 -59.47 3.01 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.195 1.398 . . . . 42.340000000000003 111.906 -174.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.04 -26.09 62.94 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.927 0.394 . . . . 71.329999999999998 110.122 -176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.534 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -66.21 -36.14 82.28 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 124.108 0.963 . . . . 74.430000000000007 110.127 174.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -66.85 -43.77 82.77 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.088 0.155 . . . . 42.140000000000001 111.354 172.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -39.18 92.54 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.774 0.829 . . . . 74.040000000000006 111.907 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -69.82 -36.66 75.82 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.378 0.271 . . . . 71.099999999999994 110.761 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.68 HG21 HD13 ' A' ' 81' ' ' LEU . 44.4 mm -62.67 -42.1 94.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 123.421 0.688 . . . . 72.129999999999995 111.04 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 113' ' ' ALA . 99.7 t -60.26 -45.33 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 123.958 0.786 . . . . 72.349999999999994 110.437 177.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.91 -38.27 90.46 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.272 0.629 . . . . 73.239999999999995 111.233 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.56 -44.49 82.18 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.823 0.702 . . . . 74.030000000000001 110.569 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -54.98 -41.43 71.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.021 0.928 . . . . 64.400000000000006 111.309 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 75.8 mtp -65.33 -29.18 69.9 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.079 -0.964 . . . . 75.409999999999997 111.545 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -66.11 -45.82 79.79 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.642 0.377 . . . . 62.229999999999997 110.542 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -28.1 64.96 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.56 0.344 . . . . 74.299999999999997 110.554 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.52 78.92 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.347 0.659 . . . . 65.219999999999999 110.403 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.73 -24.78 76.14 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-N 115.286 -0.87 . . . . 72.030000000000001 112.424 175.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.3 t -71.36 -22.58 61.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.782 0.833 . . . . 71.209999999999994 110.776 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.45 HD11 ' HG2' ' A' ' 77' ' ' LYS . 54.9 mt . . . . . 0 N--CA 1.475 0.791 0 C-N-CA 123.566 0.747 . . . . 62.409999999999997 110.304 175.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 121.494 0.664 . . . . 63.149999999999999 109.797 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 50' ' ' ASN . 28.8 tptt -90.25 109.39 20.48 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 107.915 -1.142 . . . . 61.210000000000001 107.915 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.459 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 70.6 mt -94.55 105.07 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 109.333 -0.617 . . . . 74.319999999999993 109.333 -178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mp -101.99 136.33 42.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.412 0.685 . . . . 72.209999999999994 109.425 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 59.2 mt -114.69 111.26 35.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 107.266 -1.383 . . . . 60.200000000000003 107.266 166.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.527 ' HB3' HD23 ' A' ' 64' ' ' LEU . 65.6 mt -89.98 123.78 34.18 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.298 -0.63 . . . . 74.049999999999997 109.298 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.421 HG13 HG21 ' A' ' 18' ' ' ILE . 47.9 mm -115.37 115.17 48.55 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 C-N-CA 123.544 0.738 . . . . 72.439999999999998 109.295 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -117.09 101.66 8.67 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.922 -1.14 . . . . 74.239999999999995 107.922 168.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.521 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.4 t -132.23 136.61 47.12 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.054 0.454 . . . . 64.319999999999993 110.341 168.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -71.26 -19.02 62.4 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 114.871 -1.059 . . . . 63.420000000000002 110.319 175.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -89.85 106.83 18.73 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.524 1.13 . . . . 75.329999999999998 109.906 -175.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.08 -34.71 78.66 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.385 0.674 . . . . 53.100000000000001 111.831 -178.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 41.9 mt-10 -65.35 -36.04 82.82 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.182 0.593 . . . . 74.019999999999996 110.8 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' ' 113' ' ' ALA . 26.6 tp -71.63 -37.75 70.86 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.05 -0.523 . . . . 64.530000000000001 110.497 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.92 -48.95 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.018 0.527 . . . . 72.540000000000006 109.896 173.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 28.4 mtpp -53.36 -45.25 69.11 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.391 1.076 . . . . 72.219999999999999 111.861 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.569 ' HE2' HD11 ' A' ' 114' ' ' LEU . 58.0 mtpt -70.42 -36.59 74.09 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.893 -0.594 . . . . 70.030000000000001 111.684 -176.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.421 HG21 HG13 ' A' ' 7' ' ' ILE . 88.7 mt -69.55 -31.52 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 123.114 0.566 . . . . 52.119999999999997 110.584 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 2.1 mptm? -58.96 -52.96 63.52 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.433 -0.58 . . . . 75.319999999999993 109.433 169.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -56.72 -36.72 70.03 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.908 0.755 . . . . 73.230000000000004 111.607 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.66 -51.83 67.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.161 0.585 . . . . 72.519999999999996 111.58 173.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.581 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 9.2 m -75.36 -20.16 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 112.403 0.52 . . . . 64.409999999999997 112.403 -175.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 20.0 mm-40 -67.74 -42.69 81.45 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.125 0.57 . . . . 75.510000000000005 109.995 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -61.29 -27.59 68.58 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 114.776 -1.102 . . . . 74.450000000000003 111.457 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -96.56 -14.49 22.21 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.867 0.867 . . . . 64.430000000000007 112.185 -176.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.97 29.65 33.85 Favored Glycine 0 C--N 1.346 1.103 0 N-CA-C 114.2 0.44 . . . . 65.319999999999993 114.2 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.581 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 1.9 m-85 -81.36 150.72 28.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.172 0.589 . . . . 74.430000000000007 109.821 171.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.75 157.91 25.67 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.231 -1.026 . . . . 64.349999999999994 108.231 170.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.4 t -130.97 111.1 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 122.91 0.484 . . . . 64.129999999999995 109.789 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.51 ' HG2' ' HG3' ' A' ' 41' ' ' GLU . 14.5 tpt180 -104.7 120.8 42.19 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.286 -0.635 . . . . 60.409999999999997 109.286 169.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.99 120.61 31.34 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.794 0.838 . . . . 74.420000000000002 109.149 171.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.483 HG13 ' HB2' ' A' ' 37' ' ' GLU . 98.4 t -109.82 130.35 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.414 1.085 . . . . 51.039999999999999 108.593 177.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -109.46 -52.37 2.78 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.753 0.821 . . . . 71.510000000000005 108.787 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -111.08 160.35 16.96 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 114.789 -1.096 . . . . 72.340000000000003 111.334 -171.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.7 m -58.99 -26.83 64.84 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.216 1.406 . . . . 63.340000000000003 112.453 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 4.5 t70 -56.76 -56.3 23.2 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.8 0.84 . . . . 73.0 110.874 172.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 34.0 mt-10 -60.2 -36.59 78.01 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.794 -0.639 . . . . 75.439999999999998 110.897 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.402 HD22 HD22 ' A' ' 63' ' ' LEU . 58.8 tp -55.32 -61.49 2.3 Favored 'General case' 0 C--O 1.246 0.911 0 O-C-N 124.172 0.92 . . . . 74.129999999999995 111.181 176.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.493 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.85 -32.02 73.52 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 123.485 0.491 . . . . 73.450000000000003 112.009 -174.425 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 8.9 mtmp? -57.59 -50.65 72.42 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.478 0.311 . . . . 74.109999999999999 110.76 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.51 ' HG3' ' HG2' ' A' ' 30' ' ' ARG . 14.3 mm-40 -66.62 -37.42 84.83 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.112 0.882 . . . . 71.439999999999998 110.251 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 mmt -61.17 -40.74 95.02 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.142 0.577 . . . . 75.430000000000007 111.916 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 5.5 mptp? -62.41 -46.28 89.32 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 109.548 -0.538 . . . . 74.319999999999993 109.548 173.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HA ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -61.75 -35.73 78.94 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.15 0.58 . . . . 71.310000000000002 111.876 -178.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 89.8 mt -73.84 -33.92 64.31 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.474 0.31 . . . . 44.32 110.297 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.54 -42.45 67.88 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.861 0.464 . . . . 73.140000000000001 111.948 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -80.58 -52.36 7.68 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.811 0.844 . . . . 73.099999999999994 111.756 -172.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -75.91 170.2 16.69 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.334 0.654 . . . . 62.399999999999999 111.427 -174.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -64.39 115.08 4.75 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.276 1.03 . . . . 73.439999999999998 110.008 -171.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.439 ' HA ' ' HD3' ' A' ' 2' ' ' LYS . 5.2 t-20 -82.01 27.38 0.47 Allowed 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 124.206 1.002 . . . . 74.019999999999996 113.101 -162.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -115.22 112.27 22.23 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.487 -0.758 . . . . 74.319999999999993 109.662 160.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -172.46 153.77 2.99 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.197 1.399 . . . . 74.439999999999998 109.302 166.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 37.1 mtmm -103.77 110.13 22.11 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.3 -0.864 . . . . 74.5 109.132 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 55.7 mt -127.96 126.75 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.681 0.792 . . . . 75.099999999999994 110.1 -174.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.534 HD13 HG11 ' A' ' 22' ' ' VAL . 19.8 tp -79.15 124.81 28.68 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.097 0.959 . . . . 34.310000000000002 108.796 166.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.4 mm -109.57 115.16 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 108.483 -0.932 . . . . 70.239999999999995 108.483 170.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -90.76 140.8 29.44 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.053 -1.091 . . . . 55.130000000000003 108.053 171.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.627 ' HB3' HD11 ' A' ' 64' ' ' LEU . 29.6 t -164.58 117.93 1.33 Allowed 'General case' 0 C--O 1.241 0.612 0 N-CA-C 108.235 -1.024 . . . . 72.040000000000006 108.235 168.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -76.18 -11.69 59.97 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.643 0.777 . . . . 51.399999999999999 111.781 -177.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -97.15 114.7 26.42 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 108.774 -0.824 . . . . 64.140000000000001 108.774 170.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.545 ' HA ' HD13 ' A' ' 64' ' ' LEU . 4.3 pttp -76.94 -20.81 55.71 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.531 0.732 . . . . 74.109999999999999 112.826 -173.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -63.6 -40.24 96.42 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.316 0.507 . . . . 74.049999999999997 109.633 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.402 HD22 HD22 ' A' ' 38' ' ' LEU . 88.5 mt -55.75 -34.29 65.07 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 124.153 0.908 . . . . 70.549999999999997 111.897 176.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.3 mp -74.81 -42.09 58.71 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.189 0.596 . . . . 73.25 111.314 -177.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -67.72 -43.51 79.85 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 122.558 0.343 . . . . 75.099999999999994 110.103 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.12 -37.75 83.91 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 114.947 -1.024 . . . . 71.120000000000005 110.56 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.444 ' SD ' HD21 ' A' ' 6' ' ' LEU . 33.3 ttm -62.21 -44.9 95.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.86 0.864 . . . . 71.129999999999995 110.011 177.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.99 -28.33 69.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.962 0.905 . . . . 74.120000000000005 111.725 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.45 -24.39 60.22 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.476 0.71 . . . . 73.349999999999994 111.091 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.8 mt -84.91 -35.02 22.4 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.255 0.622 . . . . 62.32 110.256 172.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.597 HD13 HG21 ' A' ' 78' ' ' VAL . 84.5 mt -71.14 -29.21 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 124.913 1.285 . . . . 72.310000000000002 111.392 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.9 p -59.69 -30.48 68.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.055 0.542 . . . . 53.100000000000001 111.101 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -82.01 -32.09 30.7 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.527 0.731 . . . . 73.129999999999995 110.798 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.8 mt -75.27 -47.6 27.25 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.51 0.724 . . . . 71.409999999999997 111.12 -177.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.79 71.77 1.23 Allowed Glycine 0 C--N 1.342 0.886 0 CA-C-N 115.907 -0.588 . . . . 52.32 113.606 173.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -152.95 166.99 30.65 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.45 0.537 . . . . 73.049999999999997 112.45 172.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.461 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 11.3 mmpt? -82.29 130.12 35.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.586 1.154 . . . . 73.140000000000001 111.066 -175.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.597 HG21 HD13 ' A' ' 71' ' ' ILE . 48.6 t -131.34 134.49 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.823 0.849 . . . . 64.109999999999999 109.698 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -114.66 109.43 18.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.32 1.048 . . . . 74.099999999999994 108.867 -175.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.7 tp -99.15 139.67 34.46 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.625 0.77 . . . . 74.409999999999997 111.287 -174.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.519 HD13 HG21 ' A' ' 116' ' ' ILE . 45.3 tp -132.61 126.19 32.16 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.697 1.199 . . . . 72.040000000000006 108.994 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.59 ' HB3' HD22 ' A' ' 90' ' ' LEU . 91.9 mt -114.97 130.33 56.91 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.958 1.303 . . . . 72.040000000000006 108.702 -178.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.521 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -148.19 111.74 5.01 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.615 0.643 . . . . 64.549999999999997 111.475 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.507 ' HB3' HD11 ' A' ' 90' ' ' LEU . 11.6 t0 -164.56 153.93 13.45 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.012 0.925 . . . . 62.32 108.924 -178.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -59.69 -36.92 77.47 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.197 0.999 . . . . 73.120000000000005 110.878 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -82.5 81.66 8.23 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.956 0.884 . . . . 71.540000000000006 108.776 175.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.61 -14.18 59.71 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.569 -1.196 . . . . 75.510000000000005 111.622 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -65.21 -55.62 17.48 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.286 1.035 . . . . 61.210000000000001 111.214 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -70.62 -31.51 68.5 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.202 -0.454 . . . . 73.299999999999997 110.121 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 82' ' ' LEU . 59.1 mt -60.03 -42.19 93.88 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.374 0.421 . . . . 65.439999999999998 111.143 171.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -66.63 -43.12 85.57 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.09 0.556 . . . . 71.109999999999999 110.187 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.49 ' HA ' ' HD3' ' A' ' 95' ' ' ARG . 0.4 OUTLIER -68.34 -35.87 78.41 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.857 -0.61 . . . . 62.43 110.134 179.762 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -68.52 -46.71 68.86 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.309 -0.86 . . . . 74.140000000000001 111.302 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.63 -26.04 67.64 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.742 0.417 . . . . 71.239999999999995 111.789 -177.05 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.49 ' HD3' ' HA ' ' A' ' 92' ' ' GLU . 41.7 mtp85 -60.5 -39.24 87.03 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.718 0.807 . . . . 74.209999999999994 111.33 173.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.56 -27.78 60.65 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.49 0.716 . . . . 62.109999999999999 110.905 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.6 mm -74.52 -34.73 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-O 121.311 0.576 . . . . 74.319999999999993 109.692 176.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.91 -35.42 81.1 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.982 -1.008 . . . . 64.420000000000002 110.253 171.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -70.76 -31.56 68.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.462 0.705 . . . . 64.150000000000006 110.767 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -76.32 -19.71 57.97 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.38 0.672 . . . . 73.519999999999996 110.479 172.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.86 40.66 16.68 Favored Glycine 0 C--N 1.348 1.237 0 CA-C-N 116.103 -0.499 . . . . 64.420000000000002 113.557 173.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.72 157.09 18.86 Favored 'General case' 0 C--O 1.246 0.882 0 C-N-CA 123.429 0.692 . . . . 75.019999999999996 109.594 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.51 123.33 19.36 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 108.599 -0.889 . . . . 75.519999999999996 108.599 171.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.43 137.08 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.348 0.659 . . . . 75.519999999999996 110.318 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -131.34 130.64 42.94 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.524 0.73 . . . . 71.450000000000003 110.146 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.41 117.82 35.55 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.119 -1.437 . . . . 75.340000000000003 107.119 173.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.58 158.32 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.127 0.971 . . . . 63.43 109.671 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.8 p -134.33 0.78 3.11 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.297 0.639 . . . . 62.229999999999997 111.436 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -117.35 147.02 43.0 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 108.898 -0.778 . . . . 62.109999999999999 108.898 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.05 -39.64 79.02 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.396 0.435 . . . . 60.450000000000003 110.663 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.41 -37.5 87.54 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.134 0.574 . . . . 73.439999999999998 110.541 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.561 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -72.33 -32.27 66.37 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.098 -0.955 . . . . 65.409999999999997 109.775 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.406 ' HB3' HD11 ' A' ' 14' ' ' LEU . . . -67.88 -44.16 77.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.58 0.352 . . . . 43.420000000000002 111.33 173.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.569 HD11 ' HE2' ' A' ' 17' ' ' LYS . 95.1 mt -60.24 -45.21 94.04 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.684 0.615 . . . . 75.209999999999994 111.754 -178.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -63.29 -35.71 81.28 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 123.442 0.464 . . . . 72.519999999999996 110.38 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 112' ' ' GLU . 47.8 mm -66.94 -40.02 84.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 123.297 0.639 . . . . 74.310000000000002 110.859 177.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.448 ' O ' ' HG2' ' A' ' 121' ' ' MET . 93.2 t -62.72 -39.62 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.034 0.534 . . . . 72.099999999999994 110.262 176.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 21.1 mtp180 -64.46 -39.96 94.8 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.791 0.837 . . . . 65.420000000000002 111.0 178.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.475 ' HB3' ' NZ ' ' A' ' 123' ' ' LYS . 41.6 mt-10 -71.42 -35.4 70.97 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.407 -0.815 . . . . 75.099999999999994 111.032 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -61.42 -28.61 69.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.908 0.883 . . . . 75.430000000000007 111.088 175.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 25.3 mmt -71.25 -33.17 69.57 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.137 0.575 . . . . 74.120000000000005 110.939 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.57 -42.71 58.26 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 109.327 -0.62 . . . . 72.310000000000002 109.327 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.475 ' NZ ' ' HB3' ' A' ' 119' ' ' GLU . 57.4 mttp -64.85 -40.19 94.76 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.45 -1.25 . . . . 70.219999999999999 110.673 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.452 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -69.22 -37.65 78.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.703 0.801 . . . . 51.420000000000002 110.452 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -68.0 -25.68 74.26 Favored Glycine 0 C--N 1.351 1.413 0 CA-C-N 115.427 -0.806 . . . . 44.130000000000003 112.955 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.5 m -65.02 -32.93 74.89 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.566 0.747 . . . . 63.130000000000003 111.017 176.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 37.8 mt . . . . . 0 N--CA 1.477 0.899 0 C-N-CA 124.265 1.026 . . . . 70.510000000000005 111.896 -173.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.902 0.382 . . . . 74.540000000000006 110.071 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 27.8 mtpp -131.06 151.76 51.09 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.408 -1.33 . . . . 73.420000000000002 107.408 172.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.484 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 65.5 mt -111.35 104.07 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 108.093 -1.077 . . . . 74.109999999999999 108.093 174.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.473 HD21 HD13 ' A' ' 45' ' ' LEU . 10.6 mp -113.8 123.48 49.92 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 109.376 -0.602 . . . . 73.239999999999995 109.376 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.9 mt -99.6 109.74 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 107.935 -1.135 . . . . 75.019999999999996 107.935 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.468 HD11 ' SD ' ' A' ' 67' ' ' MET . 0.4 OUTLIER -87.42 123.34 32.25 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.985 -1.007 . . . . 61.32 108.487 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.9 mm -115.97 129.45 72.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 109.13 -0.692 . . . . 61.409999999999997 109.13 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.495 ' HB2' HD21 ' A' ' 64' ' ' LEU . 55.0 t-20 -135.4 104.47 5.86 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 107.202 -1.407 . . . . 54.149999999999999 107.202 169.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.493 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.6 t -128.42 142.83 50.98 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.535 -0.757 . . . . 74.049999999999997 110.273 172.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -72.94 -24.02 60.75 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.811 -1.086 . . . . 73.530000000000001 110.263 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -83.92 106.57 15.7 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.744 -0.835 . . . . 72.040000000000006 108.744 -178.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.75 -35.45 81.12 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.614 0.766 . . . . 63.240000000000002 111.488 -175.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 42.6 mt-10 -72.92 -30.56 64.0 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.727 -0.669 . . . . 73.510000000000005 110.582 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.423 HD23 ' OG1' ' A' ' 9' ' ' THR . 32.6 tp -66.3 -35.42 80.34 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.92 0.488 . . . . 71.209999999999994 110.181 174.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.432 HG21 ' HE3' ' A' ' 57' ' ' LYS . 88.8 mt -56.35 -50.56 71.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 123.459 0.474 . . . . 71.219999999999999 109.797 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -53.32 -38.87 63.59 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 124.431 1.082 . . . . 70.439999999999998 111.025 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 28.3 mtpp -72.24 -50.73 25.1 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.891 0.876 . . . . 74.040000000000006 111.106 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.401 HG23 HG21 ' A' ' 117' ' ' VAL . 76.7 mt -60.33 -34.76 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.961 0.904 . . . . 64.409999999999997 111.245 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HE3' HG11 ' A' ' 29' ' ' VAL . 60.1 mtpt -59.43 -51.01 71.73 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 123.242 0.617 . . . . 54.149999999999999 109.746 173.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -65.42 -28.55 69.33 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.307 0.643 . . . . 74.129999999999995 112.193 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.52 -54.04 45.85 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.293 0.637 . . . . 73.200000000000003 110.331 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.709 HG11 HD13 ' A' ' 55' ' ' LEU . 18.8 m -76.45 -29.78 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 116.175 -0.466 . . . . 64.519999999999996 111.823 -173.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -61.94 -40.57 95.97 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.544 0.737 . . . . 71.230000000000004 109.815 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.77 -37.51 86.94 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.1 -0.954 . . . . 63.109999999999999 110.848 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -81.61 -12.68 58.64 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.475 0.71 . . . . 50.149999999999999 111.78 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.29 38.21 5.14 Favored Glycine 0 C--N 1.351 1.376 0 N-CA-C 114.264 0.466 . . . . 54.100000000000001 114.264 173.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.461 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 7.1 m-85 -101.87 144.32 30.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.84 0.856 . . . . 72.230000000000004 110.289 176.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -79.75 113.41 17.88 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.484 -0.932 . . . . 72.420000000000002 108.484 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.573 HG11 ' HE3' ' A' ' 19' ' ' LYS . 45.2 t -79.98 119.15 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 109.358 -0.608 . . . . 64.340000000000003 109.358 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -122.03 133.22 54.8 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.462 1.105 . . . . 63.409999999999997 108.05 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -111.95 116.51 30.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.119 0.968 . . . . 43.140000000000001 111.979 -163.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.407 HG12 HD13 ' A' ' 63' ' ' LEU . 22.4 t -105.96 121.27 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.832 0.853 . . . . 60.219999999999999 109.126 171.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -113.61 -25.74 8.58 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.029 0.532 . . . . 63.32 111.573 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.467 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 26.7 t70 -141.26 168.05 20.71 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 122.695 0.398 . . . . 73.319999999999993 110.965 -167.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.5 t -68.13 -37.11 80.73 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.525 1.13 . . . . 75.319999999999993 111.601 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.96 -50.42 64.39 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.873 -0.788 . . . . 75.439999999999998 108.873 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.467 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 67.2 mm-40 -51.57 -44.76 62.86 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 124.285 0.99 . . . . 74.329999999999998 110.333 176.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.1 tp -55.35 -61.92 2.02 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.767 1.292 . . . . 64.510000000000005 111.012 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -33.38 75.79 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.368 0.417 . . . . 74.310000000000002 111.806 -172.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 11.2 mmmm -59.65 -63.52 1.27 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.324 0.649 . . . . 73.420000000000002 110.157 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.7 pt-20 -75.12 -24.6 58.07 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.896 -0.593 . . . . 54.350000000000001 112.246 -172.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.708 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 12.0 mtp -72.06 -41.69 67.1 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.005 0.522 . . . . 75.409999999999997 111.838 178.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.52 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 11.6 mtpp -68.45 -24.34 64.71 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.959 -0.543 . . . . 74.540000000000006 110.52 176.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -70.65 -31.06 67.86 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 110.129 -0.322 . . . . 74.219999999999999 110.129 171.02 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.473 HD13 HD21 ' A' ' 4' ' ' LEU . 94.0 mt -73.08 -34.5 66.26 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.241 0.617 . . . . 74.549999999999997 110.957 176.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.71 -31.07 63.21 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.366 -0.833 . . . . 31.010000000000002 110.925 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 44.4 mt-10 -77.16 -61.26 2.04 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.176 -0.676 . . . . 72.439999999999998 109.176 172.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -87.8 83.98 7.08 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.791 1.236 . . . . 64.200000000000003 109.549 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HA ' ' HD2' ' A' ' 2' ' ' LYS . 10.2 mtmp? -89.89 22.61 3.08 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 114.794 -1.094 . . . . 70.140000000000001 111.443 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.636 HD22 ' HB2' ' A' ' 52' ' ' GLU . 10.7 t30 -50.66 133.57 25.51 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.996 1.319 . . . . 51.420000000000002 111.354 175.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -63.4 93.73 0.07 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.47 -0.937 . . . . 64.310000000000002 108.47 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.636 ' HB2' HD22 ' A' ' 50' ' ' ASN . 37.0 tt0 -141.19 138.24 33.22 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 114.915 -1.039 . . . . 63.229999999999997 108.935 -172.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 52.8 mtmt -95.15 98.66 10.8 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.933 0.893 . . . . 75.219999999999999 109.442 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.7 mt -112.44 126.29 69.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 123.885 0.874 . . . . 74.409999999999997 109.46 -173.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.709 HD13 HG11 ' A' ' 22' ' ' VAL . 15.6 tp -79.93 107.44 12.71 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 107.957 -1.127 . . . . 64.329999999999998 107.957 167.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.2 mm -90.6 105.69 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 107.507 -1.294 . . . . 72.239999999999995 107.507 173.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HE3' HG21 ' A' ' 15' ' ' ILE . 12.8 tmtt? -91.66 145.71 24.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.363 -0.835 . . . . 75.010000000000005 108.862 177.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.512 ' HB3' HD11 ' A' ' 64' ' ' LEU . 35.1 t -157.38 170.7 21.85 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 124.103 0.961 . . . . 73.019999999999996 108.987 171.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -135.1 14.76 3.54 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.183 0.993 . . . . 72.400000000000006 110.877 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -149.02 118.94 7.1 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.528 0.731 . . . . 72.200000000000003 110.272 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.451 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -63.48 -21.53 66.37 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.217 1.007 . . . . 63.420000000000002 113.372 -175.623 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 14.0 mm100 -69.65 -39.22 77.21 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 109.153 -0.684 . . . . 72.099999999999994 109.153 -178.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.407 HD13 HG12 ' A' ' 32' ' ' VAL . 81.2 mt -58.36 -36.85 74.09 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 124.086 0.866 . . . . 71.230000000000004 110.604 173.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 58' ' ' SER . 9.0 mp -72.05 -35.46 69.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.724 0.81 . . . . 73.340000000000003 111.29 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 55.7 mtpt -60.89 -50.07 74.92 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.606 -0.516 . . . . 72.510000000000005 109.606 176.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 8.4 mm-40 -66.66 -32.73 74.23 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.437 1.086 . . . . 73.239999999999995 111.041 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.708 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 44.0 ttm -64.01 -55.3 23.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.011 0.924 . . . . 73.120000000000005 110.285 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.403 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 80.1 mt -69.64 -17.35 63.51 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.754 -1.112 . . . . 74.239999999999995 112.695 -173.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 36.0 mm-40 -60.54 -51.88 67.53 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.804 0.442 . . . . 73.239999999999995 110.501 170.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.75 -36.57 73.19 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.556 -0.747 . . . . 40.409999999999997 110.385 -178.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.453 HG21 HG21 ' A' ' 78' ' ' VAL . 58.5 mt -67.24 -31.83 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 115.705 -0.679 . . . . 64.109999999999999 111.507 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.4 m -58.37 -37.29 74.93 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.061 0.545 . . . . 43.149999999999999 111.181 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -74.2 -32.96 63.26 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.947 0.899 . . . . 74.010000000000005 110.999 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.5 mt -78.06 -31.98 50.59 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.725 -0.67 . . . . 64.540000000000006 110.467 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.79 82.18 0.07 OUTLIER Glycine 0 C--N 1.346 1.087 0 C-N-CA 124.488 1.042 . . . . 71.150000000000006 114.88 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -148.86 165.17 32.33 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.207 0.527 . . . . 72.120000000000005 111.49 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -77.16 102.89 6.79 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.032 -0.986 . . . . 72.109999999999999 111.409 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.453 HG21 HG21 ' A' ' 71' ' ' ILE . 87.8 t -98.46 131.61 45.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-N 114.691 -1.14 . . . . 74.040000000000006 108.928 168.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -102.96 103.46 13.58 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 108.257 -1.016 . . . . 73.209999999999994 108.257 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 6' ' ' LEU . 23.8 tp -95.53 135.69 36.86 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.547 0.739 . . . . 72.209999999999994 110.622 -178.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.476 HD21 ' HB1' ' A' ' 113' ' ' ALA . 57.5 tp -121.57 129.89 53.15 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.257 1.023 . . . . 71.239999999999995 108.842 173.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.545 ' HB3' HD22 ' A' ' 90' ' ' LEU . 96.0 mt -115.18 102.47 9.93 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.389 -0.967 . . . . 52.409999999999997 108.389 175.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.493 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -117.04 108.23 15.5 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.28 0.562 . . . . 70.219999999999999 110.144 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.539 ' HB3' HD11 ' A' ' 90' ' ' LEU . 18.1 t0 -171.24 142.66 1.77 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 108.232 -1.025 . . . . 53.130000000000003 108.232 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -73.99 -18.52 60.85 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.855 -0.612 . . . . 71.219999999999999 110.985 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -82.21 76.76 9.07 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 107.441 -1.318 . . . . 65.219999999999999 107.441 163.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.602 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 7.7 pt-20 -78.16 -14.73 59.35 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.676 -1.147 . . . . 65.209999999999994 111.8 -175.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -62.3 -51.35 68.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.859 0.864 . . . . 71.040000000000006 110.83 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.53 -31.86 65.65 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.287 -0.415 . . . . 74.409999999999997 110.649 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 82' ' ' LEU . 62.0 mt -59.8 -42.19 92.89 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 110.261 -0.274 . . . . 61.43 110.261 173.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.94 -51.48 69.49 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 124.09 0.869 . . . . 72.439999999999998 109.879 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -53.79 -50.19 66.63 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.16 0.913 . . . . 61.229999999999997 110.648 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -63.13 -51.48 66.34 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 124.368 1.042 . . . . 65.219999999999999 111.623 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -64.87 -21.28 66.78 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.69 0.396 . . . . 74.140000000000001 111.955 -175.668 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -68.31 -32.64 72.91 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.968 0.507 . . . . 73.209999999999994 111.717 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -72.05 -41.65 67.19 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.243 0.544 . . . . 64.209999999999994 110.208 172.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.434 HG22 ' HB2' ' A' ' 102' ' ' TYR . 22.5 mm -74.55 -42.82 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 115.267 -0.879 . . . . 64.319999999999993 111.142 -169.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -69.09 -30.91 69.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.234 1.014 . . . . 64.109999999999999 110.483 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.9 t -63.51 -33.96 76.74 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.44 0.696 . . . . 61.340000000000003 111.022 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.405 HE21 ' HA ' ' A' ' 97' ' ' ILE . 47.7 mt-30 -80.57 -3.07 48.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.732 0.813 . . . . 64.049999999999997 111.703 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.05 9.46 67.62 Favored Glycine 0 C--N 1.348 1.202 0 N-CA-C 113.79 0.276 . . . . 61.420000000000002 113.79 175.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.434 ' HB2' HG22 ' A' ' 97' ' ' ILE . 88.5 m-85 -75.65 149.27 38.22 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 109.538 -0.541 . . . . 75.5 109.538 172.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -87.44 100.13 12.52 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 108.578 -0.897 . . . . 74.439999999999998 108.578 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.9 p -125.7 117.43 49.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 122.926 0.49 . . . . 72.319999999999993 110.389 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -101.23 135.47 42.65 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.513 -0.767 . . . . 75.409999999999997 109.098 173.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.602 ' HE2' ' HB2' ' A' ' 87' ' ' GLU . 13.1 tmtt? -113.44 117.65 32.33 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.68 1.192 . . . . 75.200000000000003 108.681 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 23.8 m -136.79 -174.1 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.925 1.29 . . . . 62.020000000000003 109.52 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.8 p -122.73 -63.74 1.24 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.399 0.68 . . . . 55.210000000000001 111.378 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -85.89 171.12 11.74 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.03 0.919 . . . . 73.409999999999997 113.334 -167.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.416 ' HB3' HD13 ' A' ' 14' ' ' LEU . 4.4 m-20 -74.38 -51.54 14.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 114.053 -1.431 . . . . 63.140000000000001 111.237 -169.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -55.49 -36.84 67.09 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.83 0.852 . . . . 52.149999999999999 111.57 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.574 ' O ' HG12 ' A' ' 116' ' ' ILE . 21.2 tp10 -75.33 -41.64 56.29 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 123.547 0.739 . . . . 74.409999999999997 109.952 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.476 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -59.09 -39.57 82.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.683 0.393 . . . . 73.140000000000001 111.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.24 -51.8 68.43 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.033 0.933 . . . . 63.219999999999999 111.599 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -66.61 -32.87 74.48 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.42 0.45 . . . . 73.310000000000002 111.072 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 112' ' ' GLU . 48.3 mm -64.26 -41.88 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.146 0.578 . . . . 75.540000000000006 110.524 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.506 ' O ' ' SD ' ' A' ' 121' ' ' MET . 79.7 t -56.56 -50.97 71.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 O-C-N 123.801 0.688 . . . . 64.519999999999996 109.807 174.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.507 ' HA ' ' SD ' ' A' ' 121' ' ' MET . 59.4 mtp85 -63.78 -26.68 68.75 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.031 0.832 . . . . 65.040000000000006 111.212 -176.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -75.57 -35.26 60.65 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.401 0.68 . . . . 73.040000000000006 111.467 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.447 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 11.7 m-85 -54.58 -49.79 69.54 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.145 0.578 . . . . 74.409999999999997 112.223 178.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.553 ' HA ' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -67.25 -21.02 65.75 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 123.513 0.508 . . . . 70.319999999999993 111.865 178.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -66.95 -44.3 80.95 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.292 0.496 . . . . 72.340000000000003 110.478 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -72.33 -31.95 66.1 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.513 0.325 . . . . 75.219999999999999 110.573 174.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' A' ' 121' ' ' MET . . . -72.31 -12.19 61.03 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.596 0.758 . . . . 62.32 111.222 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.35 -38.35 96.12 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 112.093 -0.403 . . . . 72.040000000000006 112.093 171.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.5 m -61.92 -30.78 71.13 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.695 0.798 . . . . 74.510000000000005 111.602 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 N--CA 1.473 0.687 0 C-N-CA 123.498 0.719 . . . . 73.400000000000006 110.6 -175.891 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.773 -0.455 . . . . 72.120000000000005 109.773 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.46 ' HG3' ' H ' ' A' ' 52' ' ' GLU . 10.8 ttmm -158.26 149.67 21.15 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.589 -1.263 . . . . 74.230000000000004 107.589 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.518 HD13 ' HB1' ' A' ' 124' ' ' ALA . 73.0 mt -111.66 103.61 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.497 -0.557 . . . . 63.219999999999999 109.497 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.507 HD21 HD13 ' A' ' 45' ' ' LEU . 10.9 mp -107.66 131.18 54.67 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.53 -0.915 . . . . 63.420000000000002 108.53 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.543 HG12 ' HB2' ' A' ' 79' ' ' PHE . 20.8 mt -109.86 114.62 47.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.123 -1.066 . . . . 70.400000000000006 108.123 170.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.541 HD21 ' SD ' ' A' ' 67' ' ' MET . 77.2 mt -89.79 133.68 34.58 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.468 0.707 . . . . 71.230000000000004 109.106 178.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.8 mm -124.11 116.65 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.925 -0.769 . . . . 71.450000000000003 108.925 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.439 ' OD1' ' HB3' ' A' ' 61' ' ' LYS . 5.2 t-20 -128.01 102.16 6.62 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 108.294 -1.002 . . . . 72.099999999999994 108.294 166.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 t -127.78 139.67 52.52 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 107.809 -1.182 . . . . 74.310000000000002 107.809 170.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -69.67 -39.68 76.87 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.358 0.411 . . . . 71.129999999999995 110.258 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -76.78 93.96 3.78 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.508 -0.769 . . . . 54.229999999999997 109.009 174.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.74 -22.16 66.92 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.357 1.463 . . . . 61.310000000000002 112.624 -171.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.62 -30.69 70.33 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.26 0.624 . . . . 72.319999999999993 111.311 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' A' ' 110' ' ' ASP . 27.9 tp -61.7 -35.15 77.19 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.051 0.54 . . . . 62.140000000000001 110.962 175.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.694 HG21 ' HG3' ' A' ' 57' ' ' LYS . 68.4 mt -58.57 -35.98 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.252 0.621 . . . . 74.340000000000003 110.784 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -63.7 -34.98 79.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.438 0.461 . . . . 73.409999999999997 110.053 -178.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.583 ' HE2' HD11 ' A' ' 114' ' ' LEU . 45.5 mtpt -74.7 -43.77 53.42 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.786 0.834 . . . . 74.230000000000004 110.485 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.3 mt -61.7 -38.13 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.3 1.04 . . . . 72.219999999999999 110.187 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HE2' HG11 ' A' ' 29' ' ' VAL . 9.2 mtpm? -57.55 -50.41 73.2 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 115.348 -0.842 . . . . 71.219999999999999 109.583 176.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -63.34 -33.75 76.21 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 123.42 0.45 . . . . 72.140000000000001 111.814 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -65.66 -43.42 89.4 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.031 0.532 . . . . 65.5 111.872 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.653 HG11 HD13 ' A' ' 55' ' ' LEU . 10.8 m -76.64 -26.98 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.176 0.19 . . . . 61.140000000000001 110.693 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.75 -32.8 73.66 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.872 0.869 . . . . 62.210000000000001 109.929 176.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -61.71 -35.21 77.38 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.53 0.732 . . . . 60.340000000000003 110.79 171.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -90.1 -9.35 48.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.426 0.69 . . . . 62.310000000000002 110.987 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.11 31.35 20.33 Favored Glycine 0 C--N 1.349 1.286 0 N-CA-C 114.473 0.549 . . . . 51.439999999999998 114.473 173.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -82.09 148.03 28.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.256 0.623 . . . . 73.340000000000003 109.679 172.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.37 158.35 27.43 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.348 -0.982 . . . . 73.549999999999997 108.348 165.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.452 HG13 HD23 ' A' ' 55' ' ' LEU . 31.9 t -131.96 119.22 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 122.826 0.45 . . . . 75.120000000000005 109.84 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -131.3 159.21 38.52 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 108.898 -0.779 . . . . 74.150000000000006 108.898 169.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -127.41 136.89 52.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.048 0.539 . . . . 71.129999999999995 111.285 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.4 t -100.34 115.02 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.487 1.115 . . . . 73.409999999999997 108.668 174.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -89.44 -31.16 17.84 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.844 0.458 . . . . 61.329999999999998 110.988 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -144.57 160.72 40.68 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.921 0.488 . . . . 72.530000000000001 111.325 -174.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -56.25 -29.67 61.38 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.117 1.367 . . . . 75.340000000000003 112.642 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.542 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 21.8 t70 -57.71 -56.15 25.66 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 123.723 0.639 . . . . 73.450000000000003 110.181 175.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.58 -41.26 94.29 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.989 0.805 . . . . 70.030000000000001 110.761 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 tp -48.51 -62.28 1.58 Allowed 'General case' 0 C--N 1.352 0.707 0 O-C-N 125.006 1.441 . . . . 62.350000000000001 111.228 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -70.18 -33.06 71.27 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.423 0.452 . . . . 73.310000000000002 111.932 -175.369 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -58.41 -51.66 68.91 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.662 0.385 . . . . 62.340000000000003 110.997 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 7.8 pt-20 -80.21 -27.97 38.7 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 119.058 -0.496 . . . . 62.219999999999999 111.157 -177.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.407 ' SD ' HD12 ' A' ' 45' ' ' LEU . 75.5 mmm -66.01 -30.64 71.21 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 118.03 0.377 . . . . 63.539999999999999 111.408 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 6.3 mptp? -66.19 -41.49 90.15 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.692 -0.484 . . . . 70.430000000000007 109.692 172.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.05 -38.9 86.65 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.263 0.625 . . . . 74.329999999999998 110.431 -178.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.507 HD13 HD21 ' A' ' 4' ' ' LEU . 93.1 mt -67.06 -44.48 80.03 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.189 0.996 . . . . 74.25 110.204 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.24 83.48 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.497 -0.774 . . . . 63.450000000000003 111.37 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.46 -68.11 0.45 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.271 0.628 . . . . 63.539999999999999 112.285 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -153.27 110.99 3.55 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 122.886 0.475 . . . . 73.319999999999993 110.424 -168.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -163.4 3.11 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.455 0.702 . . . . 73.049999999999997 111.07 168.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 67.85 171.2 0.27 Allowed 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 124.806 1.242 . . . . 73.019999999999996 110.632 174.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -56.04 103.98 0.12 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.004 -0.739 . . . . 72.349999999999994 109.004 166.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.46 ' H ' ' HG3' ' A' ' 2' ' ' LYS . 9.8 tp10 -137.3 145.21 43.18 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.151 0.5 . . . . 73.25 110.764 -172.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -97.29 105.14 17.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.984 1.314 . . . . 73.109999999999999 108.371 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.3 mt -123.63 144.15 34.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.561 0.744 . . . . 60.399999999999999 109.43 -175.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.653 HD13 HG11 ' A' ' 22' ' ' VAL . 16.8 tp -112.64 112.51 24.09 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 107.686 -1.228 . . . . 34.149999999999999 107.686 175.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.0 mm -101.77 117.4 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 109.662 -0.496 . . . . 74.319999999999993 109.662 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.694 ' HG3' HG21 ' A' ' 15' ' ' ILE . 12.8 tmtt? -96.13 145.83 25.17 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.346 1.059 . . . . 61.240000000000002 110.124 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.532 ' HB3' HD11 ' A' ' 64' ' ' LEU . 48.4 t -159.74 158.35 31.1 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.473 0.709 . . . . 64.219999999999999 110.187 169.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -90.89 -20.62 22.04 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.855 0.862 . . . . 60.039999999999999 110.111 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.57 117.15 32.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.247 1.019 . . . . 61.130000000000003 109.238 -175.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.491 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -77.46 -11.91 59.9 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.725 0.81 . . . . 53.530000000000001 112.9 -178.118 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 10.6 mm100 -74.59 -32.52 62.4 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.707 -0.479 . . . . 64.209999999999994 109.707 -178.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.02 -37.56 83.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.58 0.752 . . . . 73.230000000000004 110.058 171.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.534 HD23 HD13 ' A' ' 80' ' ' LEU . 7.7 mp -68.16 -32.4 72.62 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 114.837 -1.074 . . . . 71.120000000000005 110.227 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 52.6 mtpt -65.85 -54.81 21.78 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.545 0.338 . . . . 64.549999999999997 110.109 176.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 13.8 mm-40 -63.84 -25.98 68.41 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.248 0.968 . . . . 73.010000000000005 111.146 -176.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.541 ' SD ' HD21 ' A' ' 6' ' ' LEU . 38.0 ttm -66.85 -51.8 51.2 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.714 0.806 . . . . 53.310000000000002 109.869 172.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.407 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 97.6 mt -66.04 -25.99 67.3 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.022 0.929 . . . . 65.400000000000006 112.263 -177.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 37.6 mm-40 -64.53 -36.14 83.25 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.945 0.498 . . . . 55.439999999999998 110.533 174.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.9 mt -77.49 -40.63 42.32 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.449 0.699 . . . . 64.010000000000005 110.256 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.521 HD13 HG21 ' A' ' 78' ' ' VAL . 73.8 mt -66.42 -31.12 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.616 1.166 . . . . 74.430000000000007 111.862 -176.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.5 p -62.1 -29.56 70.4 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.762 0.425 . . . . 74.530000000000001 111.545 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -86.48 -29.72 22.55 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.019 0.527 . . . . 73.340000000000003 110.656 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.04 -26.0 61.14 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.059 0.544 . . . . 71.019999999999996 111.12 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.93 63.07 3.46 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.743 0.652 . . . . 61.030000000000001 114.397 173.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -149.33 158.23 44.0 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 121.011 0.434 . . . . 50.509999999999998 111.548 172.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -80.1 138.56 36.97 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.963 -1.017 . . . . 75.319999999999993 111.682 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 71' ' ' ILE . 91.9 t -129.65 144.33 38.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 124.505 1.122 . . . . 64.239999999999995 109.51 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.543 ' HB2' HG12 ' A' ' 5' ' ' ILE . 55.2 m-85 -117.95 108.82 15.75 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 124.171 0.988 . . . . 75.450000000000003 108.85 -175.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.534 HD13 HD23 ' A' ' 64' ' ' LEU . 20.5 tp -106.2 134.42 49.36 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.9 -0.408 . . . . 73.430000000000007 109.9 -176.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.423 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 40.7 tp -124.91 124.73 42.69 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.388 0.675 . . . . 63.32 109.464 174.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.541 ' HB3' HD13 ' A' ' 90' ' ' LEU . 51.7 mt -110.97 137.49 48.53 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.754 1.222 . . . . 61.340000000000003 108.293 177.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.64 126.13 10.9 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 117.861 0.3 . . . . 62.130000000000003 110.571 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -174.67 163.09 3.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.384 0.673 . . . . 64.349999999999994 110.163 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -72.03 -29.94 64.69 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.165 0.986 . . . . 71.530000000000001 111.361 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -87.49 61.93 6.84 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 122.778 1.275 . . . . 65.349999999999994 108.073 168.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.407 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 0.7 OUTLIER -75.46 -16.58 60.31 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 113.986 -1.461 . . . . 75.120000000000005 111.569 -176.631 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.91 -44.36 96.95 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.708 1.203 . . . . 64.010000000000005 111.632 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.42 -49.38 66.96 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.804 0.442 . . . . 74.140000000000001 110.578 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 82' ' ' LEU . 98.9 mt -63.03 -23.41 67.44 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.196 -0.911 . . . . 71.209999999999994 111.413 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.54 -39.49 91.83 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.356 1.062 . . . . 53.32 111.064 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.28 -34.66 25.71 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.469 0.308 . . . . 74.530000000000001 110.52 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.433 ' HD2' HD11 ' A' ' 82' ' ' LEU . 54.2 t80 -56.88 -48.36 78.32 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.503 0.721 . . . . 71.349999999999994 110.191 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.56 -27.34 68.37 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.158 -0.928 . . . . 74.310000000000002 111.73 -178.159 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -66.94 -41.97 86.05 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.898 0.479 . . . . 74.219999999999999 110.743 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.33 -48.6 79.11 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.695 0.622 . . . . 64.409999999999997 110.628 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.403 ' HB ' HG11 ' A' ' 104' ' ' VAL . 48.3 mm -64.38 -33.92 65.93 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 123.497 0.719 . . . . 72.140000000000001 110.618 -177.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.39 -34.13 72.19 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.206 1.002 . . . . 72.019999999999996 111.066 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.4 t -74.98 -13.18 60.48 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.433 0.693 . . . . 64.549999999999997 111.026 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -90.45 -0.76 57.79 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.95 0.9 . . . . 71.129999999999995 111.085 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.94 25.99 35.98 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 116.573 -0.285 . . . . 63.140000000000001 113.407 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -106.8 140.37 39.75 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.688 0.395 . . . . 62.210000000000001 110.223 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 79' ' ' PHE . 15.6 tp10 -78.0 102.46 7.4 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.693 -0.854 . . . . 62.409999999999997 108.693 178.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.403 HG11 ' HB ' ' A' ' 97' ' ' ILE . 2.8 p -133.81 133.52 56.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 123.065 0.546 . . . . 75.230000000000004 110.861 -172.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -128.42 158.77 37.38 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.884 0.874 . . . . 74.540000000000006 109.765 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.429 ' HB3' ' HE3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -137.37 131.53 32.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.887 -1.051 . . . . 71.420000000000002 108.358 177.181 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.1 m -135.19 -177.82 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.485 1.114 . . . . 60.409999999999997 110.386 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -130.52 -39.2 1.3 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.789 1.236 . . . . 73.129999999999995 109.831 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -78.65 135.29 37.17 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.694 -0.685 . . . . 74.430000000000007 109.725 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.439 ' HB2' HD13 ' A' ' 14' ' ' LEU . 11.6 p-10 -70.63 -36.69 73.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.55 1.14 . . . . 61.109999999999999 110.766 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.87 -40.43 96.52 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.889 -1.051 . . . . 71.340000000000003 110.278 175.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.546 ' O ' HG12 ' A' ' 116' ' ' ILE . 19.0 tp10 -71.11 -34.45 71.11 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.807 -0.633 . . . . 75.030000000000001 110.223 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -58.41 -43.3 88.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.654 0.382 . . . . 71.129999999999995 111.78 178.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.583 HD11 ' HE2' ' A' ' 17' ' ' LYS . 16.3 mt -66.92 -40.52 87.65 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.601 0.563 . . . . 62.310000000000002 111.904 -176.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 118' ' ' ARG . 13.0 ptmm? -73.87 -23.19 59.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 122.589 0.356 . . . . 73.239999999999995 110.446 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 112' ' ' GLU . 40.1 mm -74.09 -37.95 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.069 0.548 . . . . 72.409999999999997 110.882 172.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 113' ' ' ALA . 87.1 t -55.69 -37.54 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.376 0.67 . . . . 65.129999999999995 110.298 173.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 95.8 mtt180 -71.91 -28.64 63.62 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.123 -0.944 . . . . 65.329999999999998 111.384 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.58 -40.53 73.22 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.625 0.37 . . . . 73.420000000000002 110.704 173.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.423 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 22.4 m-85 -54.91 -32.82 61.48 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.163 0.585 . . . . 71.129999999999995 111.587 174.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 21.9 mmt -71.81 -24.82 61.79 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.639 0.775 . . . . 65.140000000000001 111.938 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.18 -49.51 43.02 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.484 0.713 . . . . 62.310000000000002 109.849 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -38.51 88.19 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.14 -0.936 . . . . 70.430000000000007 110.024 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.571 ' HA ' HD12 ' A' ' 127' ' ' LEU . . . -71.03 -28.5 64.43 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.065 0.946 . . . . 65.420000000000002 110.852 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.97 -42.11 99.74 Favored Glycine 0 C--N 1.344 1.024 0 CA-C-N 115.182 -0.917 . . . . 64.310000000000002 112.732 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.4 m -62.02 -31.8 72.23 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.166 0.587 . . . . 75.239999999999995 111.152 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 124' ' ' ALA . 31.9 mt . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 124.135 0.974 . . . . 74.230000000000004 111.233 -174.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.059 -0.719 . . . . 73.329999999999998 109.059 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -148.23 127.94 13.37 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.133 -1.062 . . . . 75.510000000000005 108.133 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.54 HG21 ' HB1' ' A' ' 124' ' ' ALA . 71.6 mt -91.84 122.75 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 109.318 -0.623 . . . . 71.030000000000001 109.318 -175.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.47 HD11 HD22 ' A' ' 45' ' ' LEU . 11.2 mp -115.61 144.19 44.26 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.463 0.705 . . . . 70.439999999999998 109.365 173.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.472 HG12 ' HB2' ' A' ' 79' ' ' PHE . 33.3 mt -122.22 111.43 30.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 N-CA-C 107.187 -1.412 . . . . 64.209999999999994 107.187 163.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.443 HD21 ' SD ' ' A' ' 67' ' ' MET . 63.6 mt -89.68 121.06 31.5 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.423 0.689 . . . . 72.109999999999999 109.41 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.475 HG13 HG21 ' A' ' 18' ' ' ILE . 45.9 mm -109.5 116.59 52.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 CA-C-N 115.527 -0.761 . . . . 62.340000000000003 109.457 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -119.41 101.95 8.32 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.22 -1.03 . . . . 72.030000000000001 108.22 169.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.613 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 6.5 t -130.94 146.02 52.21 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.518 0.727 . . . . 74.310000000000002 109.476 168.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -69.96 -20.98 63.29 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 115.706 -0.679 . . . . 73.510000000000005 110.699 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -91.39 101.86 14.54 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.477 0.711 . . . . 73.239999999999995 110.208 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.68 -29.88 70.89 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.461 0.705 . . . . 75.329999999999998 110.827 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.65 -35.33 75.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.167 0.987 . . . . 71.209999999999994 110.466 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.51 -38.63 90.69 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.682 0.393 . . . . 74.150000000000006 110.249 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.62 HD13 ' HD3' ' A' ' 57' ' ' LYS . 56.9 mt -61.21 -37.81 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.207 0.603 . . . . 72.239999999999995 110.523 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.485 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 94.4 mttt -54.99 -34.92 63.8 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.287 0.635 . . . . 74.5 111.462 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 24.5 mtpp -76.91 -44.19 32.65 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.468 -0.787 . . . . 74.439999999999998 110.385 177.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.475 HG21 HG13 ' A' ' 7' ' ' ILE . 81.1 mt -59.33 -37.24 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 124.287 1.035 . . . . 72.120000000000005 111.515 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.646 ' HG2' HG11 ' A' ' 29' ' ' VAL . 27.6 mtpp -57.97 -53.1 62.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.337 1.055 . . . . 62.130000000000003 109.096 175.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -67.06 -26.13 66.59 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.469 -0.787 . . . . 51.140000000000001 112.571 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 21.0 mm-40 -63.57 -55.12 26.28 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 121.168 0.508 . . . . 70.329999999999998 110.218 173.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.408 HG21 HD22 ' A' ' 55' ' ' LEU . 33.2 m -75.45 -29.12 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 N-CA-C 112.861 0.689 . . . . 73.519999999999996 112.861 -171.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.42 -20.5 66.19 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 112.451 0.537 . . . . 70.340000000000003 112.451 -176.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -59.36 -41.44 89.25 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.033 0.533 . . . . 32.149999999999999 110.914 171.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -91.62 7.92 39.22 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.303 0.641 . . . . 70.299999999999997 111.509 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.93 27.09 51.54 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-O 119.657 -0.524 . . . . 54.409999999999997 114.368 171.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -70.17 129.16 38.65 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 117.337 0.568 . . . . 63.310000000000002 109.711 172.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -79.72 111.38 15.96 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 107.722 -1.214 . . . . 71.439999999999998 107.722 170.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.646 HG11 ' HG2' ' A' ' 19' ' ' LYS . 39.1 t -90.12 119.26 36.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.683 -0.858 . . . . 73.349999999999994 108.683 177.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.41 124.52 50.22 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.807 -1.183 . . . . 73.120000000000005 107.807 168.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.49 ' HA ' ' HG3' ' A' ' 57' ' ' LYS . 6.6 m-20 -91.6 112.14 23.94 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 114.591 -1.186 . . . . 75.129999999999995 109.072 -174.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.6 t -89.11 115.25 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.688 0.795 . . . . 62.229999999999997 109.863 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -96.9 -19.4 18.86 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.701 0.8 . . . . 71.299999999999997 111.658 -175.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -159.75 171.32 19.73 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.744 0.418 . . . . 65.109999999999999 110.386 -172.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 t -61.26 -28.7 69.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.412 1.085 . . . . 75.239999999999995 111.572 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.6 -53.56 56.95 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 123.764 0.826 . . . . 53.140000000000001 109.563 170.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.87 -20.67 65.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.598 0.759 . . . . 64.540000000000006 111.893 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 67' ' ' MET . 68.4 tp -68.74 -58.04 4.79 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.495 0.718 . . . . 71.239999999999995 110.176 173.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -29.79 70.12 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 123.376 0.423 . . . . 74.409999999999997 111.3 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -55.75 -42.66 75.76 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.33 1.052 . . . . 75.310000000000002 110.827 171.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 41.8 mm-40 -80.82 -24.76 38.26 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.649 -0.705 . . . . 71.129999999999995 112.161 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.456 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 81.1 mmm -67.14 -27.87 67.67 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 117.779 0.263 . . . . 74.109999999999999 110.632 174.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.52 -45.96 84.96 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.185 0.517 . . . . 75.510000000000005 109.724 167.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -64.93 -21.48 66.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.252 -0.886 . . . . 74.310000000000002 111.86 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 68.9 mt -89.59 -45.99 8.98 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.894 0.702 . . . . 72.349999999999994 112.894 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.08 -36.92 12.43 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.554 1.316 . . . . 73.340000000000003 114.554 -164.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -57.07 -43.21 81.88 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.055 0.455 . . . . 55.450000000000003 111.139 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.33 137.26 48.7 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.423 -0.954 . . . . 65.019999999999996 108.423 166.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -106.64 22.39 15.95 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 122.012 0.91 . . . . 74.150000000000006 108.559 -178.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -67.81 153.41 43.78 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.064 1.346 . . . . 61.100000000000001 111.014 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.04 131.01 47.15 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 112.904 0.705 . . . . 74.430000000000007 112.904 -173.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -171.19 146.37 2.36 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.757 1.223 . . . . 73.319999999999993 109.322 172.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -91.35 120.38 32.17 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 108.414 -0.958 . . . . 65.010000000000005 108.414 171.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.4 mt -126.29 123.12 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.544 0.737 . . . . 62.310000000000002 109.776 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HB3' HG22 ' A' ' 29' ' ' VAL . 18.2 tp -90.95 114.26 26.7 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.012 -1.107 . . . . 73.450000000000003 108.012 168.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.3 mm -105.13 123.24 59.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.335 -0.987 . . . . 75.219999999999999 108.335 173.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.62 ' HD3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -109.68 149.74 29.29 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.316 -0.624 . . . . 72.030000000000001 109.316 176.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.564 ' HB3' HD11 ' A' ' 64' ' ' LEU . 41.4 t -170.77 120.39 0.55 Allowed 'General case' 0 C--O 1.24 0.601 0 C-N-CA 124.441 1.096 . . . . 73.239999999999995 108.563 174.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -65.82 -26.2 67.56 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.072 0.949 . . . . 70.549999999999997 110.75 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -83.28 115.12 21.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.17 0.988 . . . . 65.230000000000004 109.013 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -76.07 -22.49 55.56 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.727 0.64 . . . . 72.140000000000001 112.727 -174.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -71.67 -33.37 68.79 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.134 0.271 . . . . 75.109999999999999 110.352 -174.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt -58.72 -37.32 75.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.128 0.571 . . . . 75.209999999999994 111.251 175.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.1 mp -69.91 -35.68 74.79 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.517 0.727 . . . . 72.420000000000002 110.538 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HG2' ' CE1' ' A' ' 93' ' ' PHE . 6.8 mtpm? -60.18 -56.39 22.12 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.368 0.604 . . . . 73.420000000000002 109.915 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -66.35 -26.42 67.27 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 113.943 -1.481 . . . . 72.329999999999998 111.644 -175.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.499 ' HB2' HD11 ' A' ' 38' ' ' LEU . 33.5 ttm -65.17 -52.3 55.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.59 0.756 . . . . 74.230000000000004 109.44 173.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.528 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 98.4 mt -63.63 -32.24 73.66 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 124.284 0.99 . . . . 71.5 111.847 -177.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -61.66 -33.37 73.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.024 0.53 . . . . 50.329999999999998 111.238 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.4 mt -85.86 -30.43 22.92 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.062 0.545 . . . . 72.530000000000001 111.033 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.528 ' HB ' ' HA ' ' A' ' 68' ' ' LEU . 41.9 mt -67.7 -28.3 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 123.962 0.905 . . . . 71.120000000000005 111.251 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -58.41 -23.07 56.24 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.44 0.696 . . . . 63.119999999999997 112.098 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -71.63 -41.79 68.41 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.004 0.921 . . . . 64.25 110.662 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.4 mt -76.87 -39.01 52.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.901 0.88 . . . . 73.219999999999999 111.406 -177.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.6 83.68 0.1 Allowed Glycine 0 C--N 1.352 1.42 0 O-C-N 123.597 0.561 . . . . 54.219999999999999 113.917 175.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -152.23 170.95 18.74 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.181 0.515 . . . . 72.430000000000007 111.906 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -71.54 111.53 6.92 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.152 -0.931 . . . . 64.420000000000002 110.917 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.443 HG11 HD21 ' A' ' 68' ' ' LEU . 44.2 t -110.23 132.68 57.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 107.905 -1.146 . . . . 44.119999999999997 107.905 169.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.472 ' HB2' HG12 ' A' ' 5' ' ' ILE . 73.6 m-85 -108.59 107.92 18.61 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.397 -0.964 . . . . 61.409999999999997 108.397 -177.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.1 tp -102.74 139.48 38.26 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.605 0.762 . . . . 75.109999999999999 109.344 -174.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.8 tp -134.84 132.75 38.98 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.556 0.742 . . . . 73.549999999999997 109.271 178.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.577 ' HB3' HD22 ' A' ' 90' ' ' LEU . 78.1 mt -121.04 115.9 24.02 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.088 0.955 . . . . 63.350000000000001 109.288 -175.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.613 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -130.62 109.67 10.82 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.305 0.574 . . . . 72.439999999999998 112.047 -173.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.2 t70 179.42 170.2 1.02 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 125.409 1.484 . . . . 74.109999999999999 107.712 171.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -83.63 2.27 38.26 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.395 0.678 . . . . 74.150000000000006 111.598 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -86.67 40.07 0.87 Allowed 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 122.003 0.906 . . . . 64.109999999999999 109.706 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -57.08 -21.73 33.96 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 113.966 -1.47 . . . . 72.310000000000002 113.387 -167.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.52 -51.31 69.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.881 0.872 . . . . 72.219999999999999 110.364 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.34 -42.24 79.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.493 -0.776 . . . . 74.25 110.234 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 82' ' ' LEU . 85.3 mt -62.68 -32.09 73.1 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 123.974 0.796 . . . . 62.140000000000001 111.519 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -70.35 -48.46 56.31 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.952 0.901 . . . . 65.209999999999994 110.036 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.07 -42.0 94.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.706 -0.679 . . . . 71.329999999999998 110.49 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.476 ' CE1' ' HG2' ' A' ' 65' ' ' LYS . 3.8 t80 -59.86 -50.08 75.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.259 1.024 . . . . 75.329999999999998 110.709 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -27.46 69.19 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 123.044 0.215 . . . . 74.040000000000006 111.464 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.11 -36.44 77.54 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.062 0.545 . . . . 73.109999999999999 111.676 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -44.21 84.82 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.236 0.614 . . . . 63.439999999999998 110.708 175.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.45 HG22 ' HB2' ' A' ' 102' ' ' TYR . 38.9 mm -70.39 -38.9 75.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.11 -0.95 . . . . 55.450000000000003 110.696 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -68.73 -32.85 72.92 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.829 1.252 . . . . 75.310000000000002 111.035 176.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -68.51 -22.29 64.53 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.465 0.706 . . . . 73.040000000000006 111.099 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -96.14 9.26 41.49 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.535 0.734 . . . . 75.150000000000006 111.222 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.94 -4.28 85.61 Favored Glycine 0 C--N 1.35 1.343 0 CA-C-O 119.246 -0.752 . . . . 75.120000000000005 114.839 172.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.45 ' HB2' HG22 ' A' ' 97' ' ' ILE . 98.1 m-85 -69.43 142.34 53.86 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 117.717 0.759 . . . . 70.349999999999994 110.263 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -71.98 118.83 15.34 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 108.45 -0.945 . . . . 73.109999999999999 108.45 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.62 144.56 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.273 0.629 . . . . 52.43 111.011 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -134.85 153.17 52.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.527 1.131 . . . . 73.099999999999994 108.606 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.426 ' HD2' ' HB2' ' A' ' 90' ' ' LEU . 3.9 ttpm? -118.41 140.23 50.17 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 108.986 -0.746 . . . . 64.230000000000004 108.986 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.446 HG21 ' HB2' ' A' ' 113' ' ' ALA . 30.9 m -134.52 161.65 40.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 125.039 1.336 . . . . 74.5 108.917 176.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.0 p -122.28 -7.45 8.76 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.034 0.934 . . . . 60.219999999999999 110.666 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -122.28 157.71 31.11 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.676 0.79 . . . . 73.209999999999994 110.386 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -71.87 -58.03 3.81 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.521 1.128 . . . . 72.099999999999994 112.049 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.6 ' HA ' HD12 ' A' ' 114' ' ' LEU . 31.1 mt-10 -70.58 -26.9 63.74 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.399 -0.819 . . . . 73.349999999999994 110.534 -174.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.485 ' O ' HG12 ' A' ' 116' ' ' ILE . 49.3 tt0 -63.56 -43.58 96.63 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.122 -1.399 . . . . 50.539999999999999 110.229 172.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 107' ' ' VAL . . . -58.65 -50.27 74.48 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 123.033 0.533 . . . . 72.540000000000006 110.624 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 111' ' ' GLU . 78.1 mt -51.51 -42.49 61.75 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.547 1.139 . . . . 73.150000000000006 111.519 176.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -65.42 -40.04 92.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.747 1.219 . . . . 73.010000000000005 111.347 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 112' ' ' GLU . 42.9 mm -75.76 -29.89 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 123.063 0.545 . . . . 65.109999999999999 110.746 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 113' ' ' ALA . 75.2 t -59.1 -45.59 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.272 0.629 . . . . 70.219999999999999 109.82 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.48 ' HA ' ' SD ' ' A' ' 121' ' ' MET . 47.0 mtp85 -65.1 -33.85 77.01 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.019 0.825 . . . . 65.140000000000001 110.908 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -63.67 -49.82 71.7 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.248 0.619 . . . . 73.019999999999996 110.402 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -57.15 -34.39 68.38 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.824 0.85 . . . . 73.109999999999999 111.664 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.48 ' SD ' ' HA ' ' A' ' 118' ' ' ARG . 68.4 mtp -64.04 -37.28 86.87 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.87 0.868 . . . . 63.030000000000001 111.231 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -69.79 -45.7 67.37 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 122.988 0.515 . . . . 71.310000000000002 110.363 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 13.8 mptt -64.42 -36.84 85.48 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.241 -0.89 . . . . 72.230000000000004 110.399 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.54 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -70.67 -38.53 73.77 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.921 0.763 . . . . 53.340000000000003 111.047 177.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.13 -42.61 99.73 Favored Glycine 0 C--N 1.347 1.193 0 O-C-N 123.488 0.492 . . . . 51.130000000000003 112.202 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.9 p -71.48 -18.21 62.31 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.466 0.707 . . . . 62.329999999999998 112.241 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 97.9 mt . . . . . 0 N--CA 1.488 1.455 0 CA-C-N 118.25 0.477 . . . . 74.150000000000006 110.917 176.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.475 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 12.2 tpt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.973 -0.38 . . . . 55.409999999999997 109.973 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.503 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 19.6 ttmm -105.84 134.69 48.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 122.847 0.459 . . . . 73.519999999999996 109.824 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.457 HD13 ' HB1' ' A' ' 124' ' ' ALA . 70.9 mt -106.49 120.56 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.776 1.23 . . . . 74.129999999999995 109.137 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.542 HD21 HD13 ' A' ' 45' ' ' LEU . 10.4 mp -114.16 138.63 50.19 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.639 0.776 . . . . 72.030000000000001 109.423 175.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.2 mt -115.71 107.84 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.946 -1.131 . . . . 74.310000000000002 107.946 166.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.472 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -87.88 124.62 33.85 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.517 1.127 . . . . 75.019999999999996 108.996 179.059 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.424 HG13 HG21 ' A' ' 18' ' ' ILE . 49.0 mm -113.59 115.83 50.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 108.999 -0.741 . . . . 71.209999999999994 108.999 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.553 ' HB2' HD21 ' A' ' 64' ' ' LEU . 28.6 t-20 -112.42 100.46 8.79 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 107.593 -1.262 . . . . 72.530000000000001 107.593 170.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.477 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 7.6 t -130.45 147.65 52.17 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.266 0.626 . . . . 65.0 110.755 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -71.76 -25.71 62.14 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.134 -0.939 . . . . 75.400000000000006 111.039 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -96.53 121.92 38.88 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.695 0.798 . . . . 74.329999999999998 111.496 -171.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.513 ' HA ' HD12 ' A' ' 15' ' ' ILE . 5.9 m-20 -69.88 -35.75 74.91 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.591 0.756 . . . . 62.219999999999999 110.867 173.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -57.24 -42.58 81.71 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.126 0.891 . . . . 75.230000000000004 110.94 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.8 tp -66.47 -40.51 89.38 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.951 0.9 . . . . 73.219999999999999 110.847 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 12' ' ' ASP . 92.7 mt -55.34 -50.11 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.818 0.847 . . . . 64.340000000000003 110.887 178.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -59.62 -30.97 69.07 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.039 0.837 . . . . 71.040000000000006 111.665 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HE2' HD11 ' A' ' 114' ' ' LEU . 56.8 mtpt -81.42 -42.41 20.43 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.746 0.818 . . . . 54.229999999999997 110.817 -178.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.424 HG21 HG13 ' A' ' 7' ' ' ILE . 59.6 mt -62.05 -33.7 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.76 0.824 . . . . 73.310000000000002 109.882 176.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HE2' HG11 ' A' ' 29' ' ' VAL . 8.6 mtpm? -57.75 -53.44 58.17 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 123.204 0.602 . . . . 74.349999999999994 110.391 175.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -69.37 -23.09 63.7 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.209 0.448 . . . . 63.009999999999998 112.209 -176.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 37.7 mm-40 -63.9 -57.92 8.34 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.359 -0.608 . . . . 65.310000000000002 109.359 169.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.716 HG11 HD13 ' A' ' 55' ' ' LEU . 16.3 m -71.27 -28.32 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 115.642 -0.708 . . . . 62.219999999999999 112.261 -170.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.31 -41.62 96.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.498 0.719 . . . . 74.109999999999999 110.295 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -78.38 -12.42 60.0 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.209 -0.451 . . . . 70.209999999999994 111.743 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 22.7 mm-40 -90.75 -12.12 37.5 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.01 0.524 . . . . 73.010000000000005 111.11 173.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.9 37.59 4.9 Favored Glycine 0 C--N 1.353 1.509 0 O-C-N 123.118 0.261 . . . . 34.329999999999998 113.649 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.446 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 12.2 m-85 -111.65 136.95 50.17 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.818 0.847 . . . . 73.439999999999998 109.731 175.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -82.77 138.27 34.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.56 -0.904 . . . . 73.109999999999999 108.56 168.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.497 HG11 ' HE2' ' A' ' 19' ' ' LYS . 41.2 t -100.17 121.68 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 109.923 -0.399 . . . . 74.109999999999999 109.923 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.23 113.01 25.2 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.079 0.951 . . . . 74.5 109.27 169.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.483 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 11.3 p-10 -90.98 114.65 27.22 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 108.812 -0.81 . . . . 53.009999999999998 108.812 170.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.3 t -82.03 110.84 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.379 -0.971 . . . . 71.420000000000002 108.379 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.438 ' H ' ' HG3' ' A' ' 37' ' ' GLU . 34.4 m-80 -87.97 -34.32 18.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.568 0.747 . . . . 72.140000000000001 110.789 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -151.05 168.8 23.5 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.699 -0.682 . . . . 75.099999999999994 110.619 -163.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 t -64.33 -30.58 71.62 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.427 0.691 . . . . 60.009999999999998 111.64 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.548 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 17.8 t70 -61.99 -47.22 85.77 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.519 0.728 . . . . 72.129999999999995 110.439 173.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' HG3' ' H ' ' A' ' 33' ' ' ASN . 12.0 mm-40 -53.62 -50.07 66.49 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.18 0.925 . . . . 61.0 109.991 174.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 67' ' ' MET . 57.5 tp -55.87 -58.09 9.34 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.029 -1.442 . . . . 73.409999999999997 112.397 -176.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.548 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -66.97 -37.66 84.66 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 111.838 0.31 . . . . 74.319999999999993 111.838 -175.213 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -61.07 -47.72 85.03 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.292 0.237 . . . . 62.219999999999999 111.525 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.8 pt-20 -70.61 -34.79 72.51 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 119.359 -0.353 . . . . 74.310000000000002 110.476 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.495 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -60.97 -40.53 93.72 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.499 0.72 . . . . 71.030000000000001 112.062 -177.652 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 5.5 mptp? -61.79 -38.99 90.12 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.679 -0.691 . . . . 75.030000000000001 110.36 175.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.441 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 9.6 mmpt? -69.42 -39.01 78.14 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.888 0.475 . . . . 74.209999999999994 111.153 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.542 HD13 HD21 ' A' ' 4' ' ' LEU . 71.6 mt -68.66 -22.8 64.37 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.24 0.616 . . . . 75.0 110.436 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.68 -49.06 10.2 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.807 0.843 . . . . 72.040000000000006 111.993 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 22.5 mm-40 -76.72 -49.67 15.49 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.73 0.412 . . . . 55.310000000000002 112.054 -172.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.55 97.4 1.31 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 108.386 -0.968 . . . . 71.439999999999998 108.386 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -100.74 -6.33 25.15 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.174 0.435 . . . . 71.430000000000007 112.174 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -71.11 171.03 11.67 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.726 0.41 . . . . 61.240000000000002 110.183 176.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.475 ' HA ' ' O ' ' A' ' 1' ' ' MET . 48.2 t80 -65.79 133.53 51.2 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.022 -0.535 . . . . 73.109999999999999 110.428 -176.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HB3' ' HG3' ' A' ' 2' ' ' LYS . 43.9 tt0 -165.97 147.76 7.03 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.17 0.988 . . . . 63.43 108.48 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 97.1 mttt -122.4 121.13 35.94 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.918 0.887 . . . . 74.209999999999994 109.054 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 49.8 mt -130.45 128.11 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 122.842 0.457 . . . . 64.109999999999999 110.528 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.716 HD13 HG11 ' A' ' 22' ' ' VAL . 23.3 tp -81.66 110.37 16.95 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 108.362 -0.977 . . . . 61.420000000000002 108.362 166.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.406 HG13 HD23 ' A' ' 4' ' ' LEU . 25.7 mm -92.4 114.37 29.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 108.81 -0.811 . . . . 63.420000000000002 108.81 175.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' HB3' ' HA ' ' A' ' 31' ' ' ASP . 13.6 tmtt? -90.45 128.66 36.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.213 -1.032 . . . . 54.409999999999997 108.213 170.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.3 t -160.57 115.88 2.25 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.197 -1.038 . . . . 73.120000000000005 108.197 173.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -94.82 -17.5 22.05 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.622 0.769 . . . . 72.5 110.454 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -88.97 112.0 22.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.154 0.581 . . . . 74.319999999999993 109.993 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.421 ' HA ' HD13 ' A' ' 64' ' ' LEU . 61.3 pttt -58.4 -25.22 61.86 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.378 1.071 . . . . 70.439999999999998 113.569 -174.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -69.13 -38.83 79.04 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.636 0.374 . . . . 64.439999999999998 110.203 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.68 -39.46 91.5 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 123.674 0.609 . . . . 74.219999999999999 110.621 175.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 8' ' ' ASN . 6.5 mp -68.77 -41.02 79.4 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.834 0.454 . . . . 71.120000000000005 111.48 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.9 mmmp? -60.8 -57.52 12.3 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.926 0.49 . . . . 73.430000000000007 110.19 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.13 -40.12 73.29 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 124.256 0.972 . . . . 64.349999999999994 111.57 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.495 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 35.7 ttm -60.11 -56.85 16.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.858 0.863 . . . . 75.439999999999998 110.627 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.565 HD23 HD12 ' A' ' 71' ' ' ILE . 95.8 mt -69.15 -20.78 64.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.918 0.887 . . . . 72.510000000000005 112.034 -175.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -75.49 -33.71 60.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.217 0.607 . . . . 72.439999999999998 110.552 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HB2' ' SD ' ' A' ' 42' ' ' MET . 95.0 mt -78.64 -29.9 46.08 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.887 0.375 . . . . 71.129999999999995 110.511 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.565 HD12 HD23 ' A' ' 68' ' ' LEU . 76.9 mt -74.38 -21.13 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.949 0.9 . . . . 74.030000000000001 110.161 174.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 t -57.83 -20.94 39.64 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.787 0.662 . . . . 70.25 112.787 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -86.34 -34.3 20.31 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.107 0.563 . . . . 74.329999999999998 111.297 174.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.5 mt -82.97 -51.23 7.77 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.677 0.791 . . . . 63.399999999999999 110.772 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.38 33.07 57.13 Favored Glycine 0 C--N 1.342 0.896 0 CA-C-N 115.194 -0.912 . . . . 73.340000000000003 114.398 171.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -85.46 168.16 14.82 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 117.294 0.547 . . . . 74.129999999999995 110.627 173.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -75.45 105.11 6.3 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.577 -0.738 . . . . 54.509999999999998 111.282 -176.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG11 HD21 ' A' ' 68' ' ' LEU . 39.8 t -98.25 131.8 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 108.443 -0.947 . . . . 73.420000000000002 108.443 170.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -112.87 107.34 15.89 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.243 -1.021 . . . . 73.040000000000006 108.243 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 6' ' ' LEU . 30.6 tp -105.11 141.92 35.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.488 0.715 . . . . 73.430000000000007 110.018 -172.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.431 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 33.1 tp -133.13 112.38 11.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.856 0.862 . . . . 72.420000000000002 109.497 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.471 HD23 ' HB3' ' A' ' 8' ' ' ASN . 66.2 mt -94.75 93.15 7.34 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.461 1.104 . . . . 73.430000000000007 108.951 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.477 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -103.39 107.8 18.77 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.39 0.676 . . . . 62.219999999999999 111.235 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.527 ' HB3' HD11 ' A' ' 90' ' ' LEU . 25.9 t70 -178.17 158.11 1.16 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.56 1.144 . . . . 61.229999999999997 109.038 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -79.74 54.66 1.86 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.937 0.895 . . . . 65.510000000000005 110.703 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.407 ' O ' ' HE3' ' A' ' 106' ' ' LYS . 18.1 t70 -143.05 117.1 9.44 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.544 0.737 . . . . 72.329999999999998 109.288 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.9 -35.46 16.5 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 122.82 0.448 . . . . 73.010000000000005 110.044 170.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -56.89 -67.71 0.29 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.495 0.554 . . . . 65.239999999999995 112.495 -167.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -79.47 -36.26 39.01 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 119.515 -0.279 . . . . 63.229999999999997 111.448 -174.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 84' ' ' ASP . 60.7 mt -64.67 -43.43 93.6 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 111.831 0.308 . . . . 73.409999999999997 111.831 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 23.6 tt0 -70.9 -20.14 62.53 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.956 0.502 . . . . 73.219999999999999 110.881 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -82.0 -44.88 16.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.712 0.405 . . . . 63.439999999999998 110.433 172.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.421 ' O ' HG12 ' A' ' 97' ' ' ILE . 75.1 t80 -57.43 -48.4 79.24 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.671 1.188 . . . . 74.329999999999998 110.548 -176.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -24.52 67.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.909 -1.042 . . . . 72.209999999999994 112.717 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 78.1 mtp180 -66.13 -38.64 88.64 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.833 0.453 . . . . 63.539999999999999 110.601 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.71 -31.19 52.2 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.826 0.85 . . . . 72.019999999999996 110.581 -178.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.473 HG22 ' HB2' ' A' ' 102' ' ' TYR . 24.9 mm -71.44 -45.36 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 109.404 -0.591 . . . . 74.019999999999996 109.404 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.11 -30.3 69.43 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 114.944 -1.026 . . . . 51.340000000000003 110.384 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.7 t -64.05 -34.92 79.13 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.332 0.653 . . . . 71.140000000000001 111.396 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -79.82 -5.75 56.02 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.662 0.785 . . . . 71.409999999999997 111.7 177.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.74 19.65 39.87 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 116.322 -0.399 . . . . 61.43 113.254 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.473 ' HB2' HG22 ' A' ' 97' ' ' ILE . 26.2 m-85 -94.81 151.23 19.41 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 117.117 0.458 . . . . 72.209999999999994 109.928 176.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.82 125.83 29.95 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.209 -1.034 . . . . 42.140000000000001 108.209 174.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.48 142.83 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 122.959 0.504 . . . . 71.409999999999997 110.768 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -134.68 143.32 47.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.24 1.016 . . . . 75.200000000000003 109.693 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.407 ' HE3' ' O ' ' A' ' 86' ' ' ASP . 0.1 OUTLIER -105.36 131.48 52.75 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 107.769 -1.197 . . . . 64.25 107.769 175.173 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.0 m -138.62 167.3 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.377 1.071 . . . . 70.439999999999998 109.741 169.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.4 p -121.32 -46.45 2.29 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.075 0.95 . . . . 72.120000000000005 109.739 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -82.87 159.15 22.44 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.212 0.53 . . . . 73.109999999999999 112.13 -172.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.32 -59.05 3.48 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.878 1.271 . . . . 61.130000000000003 110.719 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.37 -29.64 70.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.216 0.606 . . . . 73.099999999999994 110.979 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.542 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -68.68 -37.25 79.44 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 123.967 0.907 . . . . 74.230000000000004 110.189 176.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -67.5 -46.99 71.29 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.061 0.144 . . . . 74.329999999999998 111.165 175.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.429 HD11 ' HE2' ' A' ' 17' ' ' LYS . 94.8 mt -58.27 -38.75 77.59 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.08 0.952 . . . . 74.25 111.894 -177.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -31.62 66.01 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.337 0.255 . . . . 70.219999999999999 111.155 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 112' ' ' GLU . 49.1 mm -75.19 -31.02 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 122.639 0.375 . . . . 63.299999999999997 110.721 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 113' ' ' ALA . 98.9 t -58.77 -38.95 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 122.918 0.487 . . . . 71.340000000000003 109.707 170.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -72.73 -31.36 64.9 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.503 -0.771 . . . . 72.409999999999997 111.002 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -65.16 -38.02 89.23 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.879 0.472 . . . . 74.329999999999998 110.923 173.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 20.1 m-85 -63.16 -25.52 68.39 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.486 0.715 . . . . 70.230000000000004 112.144 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 19.8 mmt -70.94 -29.49 65.53 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.814 0.446 . . . . 62.009999999999998 110.656 176.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -80.48 -35.83 34.24 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.176 0.59 . . . . 71.400000000000006 110.087 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -71.42 -37.68 71.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.413 1.085 . . . . 72.450000000000003 110.899 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.457 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -76.37 -29.95 57.38 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.713 0.805 . . . . 75.329999999999998 110.18 174.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.58 -19.69 74.93 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-N 115.529 -0.759 . . . . 71.340000000000003 112.823 173.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.5 t -71.65 -29.17 64.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.238 0.615 . . . . 44.539999999999999 110.658 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 45.4 mt . . . . . 0 N--CA 1.48 1.035 0 C-N-CA 123.84 0.856 . . . . 64.439999999999998 110.527 -179.046 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 tpt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.289 -0.634 . . . . 75.239999999999995 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -155.35 154.94 32.81 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.388 -0.967 . . . . 73.010000000000005 108.388 -177.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 53' ' ' LYS . 61.0 mt -118.68 107.58 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 108.521 -0.918 . . . . 65.209999999999994 108.521 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.3 mp -111.29 134.29 52.99 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.066 -0.716 . . . . 75.099999999999994 109.066 176.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.488 HG12 ' HB2' ' A' ' 79' ' ' PHE . 39.5 mt -114.79 115.3 49.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 108.15 -1.055 . . . . 62.219999999999999 108.15 171.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.512 ' HB3' HD23 ' A' ' 64' ' ' LEU . 80.3 mt -90.42 126.71 35.98 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.634 0.774 . . . . 63.200000000000003 109.039 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.4 mm -113.91 115.7 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 108.988 -0.745 . . . . 71.230000000000004 108.988 174.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -123.04 102.59 8.08 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.583 -0.895 . . . . 72.200000000000003 108.583 174.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.489 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 14.9 t -130.61 148.14 52.37 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.965 -0.561 . . . . 75.129999999999995 110.602 173.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -64.69 -43.63 92.9 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.102 -0.954 . . . . 63.009999999999998 110.43 175.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -86.15 105.67 16.72 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.439 0.638 . . . . 73.420000000000002 111.124 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.16 -32.82 70.23 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.643 1.177 . . . . 64.030000000000001 112.462 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.45 -31.53 70.52 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.579 1.152 . . . . 73.019999999999996 112.248 -177.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.1 -44.33 89.16 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.584 0.753 . . . . 74.340000000000003 110.794 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.564 HG21 ' HG2' ' A' ' 57' ' ' LYS . 10.0 mt -65.08 -35.56 75.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 O-C-N 123.503 0.502 . . . . 60.039999999999999 110.077 -175.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -46.61 -42.2 15.76 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.918 0.887 . . . . 72.230000000000004 111.512 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -79.03 -39.36 34.21 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.615 -1.175 . . . . 55.049999999999997 111.203 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.94 -32.75 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 123.629 0.772 . . . . 72.010000000000005 110.743 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.581 ' HG2' HG11 ' A' ' 29' ' ' VAL . 60.5 mtpt -66.98 -51.56 53.59 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.88 0.872 . . . . 64.209999999999994 109.415 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -57.81 -35.55 71.0 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.446 0.698 . . . . 75.340000000000003 111.222 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.93 -53.47 49.87 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.426 1.09 . . . . 74.239999999999995 111.005 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.658 HG11 HD13 ' A' ' 55' ' ' LEU . 28.9 m -72.01 -26.45 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 111.96 0.355 . . . . 64.299999999999997 111.96 -175.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.03 -26.3 67.46 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.74 0.816 . . . . 74.239999999999995 111.513 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -60.08 -33.23 71.8 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.487 0.715 . . . . 74.0 110.683 171.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -95.39 10.42 36.4 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.876 0.87 . . . . 70.310000000000002 111.964 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.81 19.62 77.43 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.241 -0.436 . . . . 62.520000000000003 113.93 173.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -75.36 133.99 41.08 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.734 0.414 . . . . 74.109999999999999 110.068 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -79.18 122.31 26.12 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 108.081 -1.081 . . . . 71.049999999999997 108.081 175.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.581 HG11 ' HG2' ' A' ' 19' ' ' LYS . 13.3 t -101.59 143.64 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 118.167 0.44 . . . . 64.040000000000006 110.105 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -131.8 141.29 49.43 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.61 1.164 . . . . 74.25 108.807 173.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 20.1 m-20 -108.73 117.03 33.12 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.287 1.035 . . . . 71.109999999999999 108.753 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.39 132.42 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.351 1.06 . . . . 50.539999999999999 108.968 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -111.65 -51.79 2.83 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.88 0.872 . . . . 65.230000000000004 109.612 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -119.4 161.42 20.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.73 0.812 . . . . 63.310000000000002 111.964 -167.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 p -66.94 -29.49 69.37 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.689 1.596 . . . . 61.219999999999999 113.429 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.42 -40.18 89.4 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 110.256 -0.275 . . . . 62.399999999999999 110.256 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.63 -34.57 78.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.503 0.321 . . . . 63.520000000000003 110.486 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.546 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 52.3 tp -59.42 -54.25 48.78 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 124.189 0.931 . . . . 75.129999999999995 110.736 176.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.97 -33.8 76.65 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 111.457 0.169 . . . . 63.420000000000002 111.457 -177.026 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -64.16 -45.43 88.49 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.228 -0.442 . . . . 64.400000000000006 111.482 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 8.3 pt-20 -70.57 -32.7 70.2 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 110.016 -0.364 . . . . 73.329999999999998 110.016 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.601 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 85.4 mmm -65.96 -29.92 70.39 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.494 0.318 . . . . 75.299999999999997 111.586 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -60.6 -50.32 73.99 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 123.672 0.608 . . . . 73.519999999999996 109.494 168.55 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -63.47 -37.91 89.1 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 115.386 -0.824 . . . . 63.340000000000003 111.909 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.466 HD12 ' SD ' ' A' ' 42' ' ' MET . 80.1 mt -75.78 -30.31 59.07 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.013 0.925 . . . . 71.430000000000007 110.325 -177.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.61 -41.91 71.64 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.606 0.762 . . . . 73.510000000000005 111.06 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.65 -42.92 60.72 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.043 -0.98 . . . . 71.040000000000006 111.13 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -80.37 84.41 6.02 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.703 0.763 . . . . 74.129999999999995 110.374 -170.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -73.23 -10.63 59.97 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 114.299 -1.319 . . . . 51.030000000000001 111.728 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -56.55 130.51 45.4 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.491 1.117 . . . . 55.140000000000001 111.312 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -67.41 94.93 0.42 Allowed 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.471 1.107 . . . . 73.430000000000007 108.931 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -141.24 143.41 34.13 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.349 -0.841 . . . . 73.040000000000006 109.651 -172.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -103.87 114.27 28.41 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.837 -0.801 . . . . 71.099999999999994 108.837 -176.631 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.6 mt -122.3 127.37 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.388 0.675 . . . . 72.310000000000002 109.953 -176.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.658 HD13 HG11 ' A' ' 22' ' ' VAL . 14.5 tp -89.78 114.95 26.74 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.176 -1.046 . . . . 73.099999999999994 108.176 171.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.3 mm -93.58 118.09 38.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 108.858 -0.793 . . . . 72.109999999999999 108.858 173.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.564 ' HG2' HG21 ' A' ' 15' ' ' ILE . 14.1 tmtt? -92.36 121.4 33.81 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 107.475 -1.306 . . . . 74.340000000000003 107.475 176.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.6 t -157.74 116.67 3.21 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.559 -0.534 . . . . 75.120000000000005 109.559 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -82.29 -15.5 52.75 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.544 0.738 . . . . 73.340000000000003 110.74 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -98.35 105.96 18.17 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.869 0.868 . . . . 74.209999999999994 109.957 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.482 ' HA ' HD13 ' A' ' 64' ' ' LEU . 25.1 pttm -61.13 -25.4 66.96 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.42 1.088 . . . . 75.230000000000004 113.708 -172.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.59 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 54.5 mt-30 -66.79 -36.08 81.57 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.052 0.541 . . . . 71.109999999999999 110.849 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.15 -40.47 93.96 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 115.169 -0.923 . . . . 65.329999999999998 110.655 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 6' ' ' LEU . 6.0 mp -69.58 -34.54 74.3 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.351 0.66 . . . . 55.439999999999998 111.252 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.59 ' HE3' ' HA ' ' A' ' 62' ' ' GLN . 8.8 mtmp? -63.85 -50.43 68.88 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 120.898 0.38 . . . . 73.25 110.253 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -69.16 -27.85 65.89 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.116 -0.947 . . . . 74.329999999999998 111.535 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.601 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 39.6 ttm -64.77 -49.33 71.17 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.372 -0.831 . . . . 64.120000000000005 109.734 174.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.05 -23.87 65.02 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.107 0.963 . . . . 73.010000000000005 112.08 -177.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.25 -44.77 92.36 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.72 0.772 . . . . 75.450000000000003 110.641 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.8 mt -85.12 -28.51 25.52 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.551 -1.204 . . . . 75.150000000000006 111.194 -175.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.529 HG21 HG21 ' A' ' 78' ' ' VAL . 71.2 mt -67.94 -31.72 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.474 0.71 . . . . 62.009999999999998 109.65 172.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.5 t -63.02 -23.42 67.44 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.917 0.887 . . . . 65.430000000000007 111.461 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -77.9 -37.94 46.81 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.368 0.667 . . . . 75.239999999999995 110.207 175.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -78.07 -43.5 28.99 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.922 0.889 . . . . 73.519999999999996 111.411 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.85 73.5 1.07 Allowed Glycine 0 C--N 1.341 0.849 0 CA-C-N 115.788 -0.642 . . . . 75.349999999999994 113.706 174.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -146.2 175.7 10.3 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.42 0.688 . . . . 72.430000000000007 110.531 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -81.77 126.1 31.43 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.056 0.942 . . . . 73.109999999999999 111.301 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.529 HG21 HG21 ' A' ' 71' ' ' ILE . 76.3 t -126.03 136.02 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 114.885 -1.052 . . . . 64.200000000000003 109.317 174.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.488 ' HB2' HG12 ' A' ' 5' ' ' ILE . 89.3 m-85 -111.97 110.96 21.55 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 124.426 1.09 . . . . 40.420000000000002 108.423 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.8 tp -103.01 132.52 49.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 123.716 0.806 . . . . 71.140000000000001 109.663 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.478 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 26.5 tp -122.52 117.23 25.41 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.464 -0.939 . . . . 70.450000000000003 108.464 175.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.59 ' HB3' HD13 ' A' ' 90' ' ' LEU . 77.7 mt -101.23 135.64 42.38 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.956 1.303 . . . . 71.030000000000001 107.896 176.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.489 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -147.47 112.69 5.53 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.775 0.43 . . . . 74.549999999999997 110.41 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -171.16 146.19 2.35 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.775 -0.824 . . . . 64.219999999999999 108.775 178.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -71.6 -28.26 63.69 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 124.066 0.854 . . . . 63.310000000000002 110.316 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.53 67.39 4.29 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 107.921 -1.14 . . . . 72.239999999999995 107.921 165.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -71.97 -22.81 61.39 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 113.954 -1.475 . . . . 75.340000000000003 112.122 -171.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -57.92 -36.03 71.9 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.496 1.118 . . . . 34.509999999999998 110.998 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.82 -52.51 63.86 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.905 -1.043 . . . . 71.209999999999994 110.843 172.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 82' ' ' LEU . 82.3 mt -80.84 -13.32 59.05 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.36 -0.836 . . . . 53.530000000000001 112.188 -172.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -85.58 -21.37 28.53 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.909 0.884 . . . . 70.310000000000002 109.274 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -87.76 -40.82 13.76 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.164 0.585 . . . . 73.200000000000003 110.785 166.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -54.99 -45.08 74.98 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.562 1.145 . . . . 53.420000000000002 110.21 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 95' ' ' ARG . 15.5 ptpt -58.12 -39.13 77.91 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 124.121 0.888 . . . . 73.329999999999998 111.694 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.484 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 79.1 mtp180 -67.34 -32.85 74.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.336 0.654 . . . . 72.439999999999998 110.709 -173.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -74.77 -39.8 61.56 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.94 0.896 . . . . 73.409999999999997 110.462 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.518 HG22 ' HB2' ' A' ' 102' ' ' TYR . 37.3 mm -75.76 -31.92 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.129 0.572 . . . . 71.109999999999999 110.981 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -71.13 -34.76 71.33 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.526 1.131 . . . . 74.340000000000003 108.808 175.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.8 t -66.76 -33.33 75.38 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.283 0.633 . . . . 74.510000000000005 110.331 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -76.13 -5.31 46.04 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.657 0.783 . . . . 54.420000000000002 111.636 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.99 29.18 32.16 Favored Glycine 0 C--N 1.351 1.395 0 C-N-CA 122.796 0.236 . . . . 34.549999999999997 113.44 172.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.518 ' HB2' HG22 ' A' ' 97' ' ' ILE . 90.3 m-85 -108.81 157.0 18.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.291 0.636 . . . . 72.140000000000001 109.771 175.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.82 121.36 25.29 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.425 -0.954 . . . . 74.120000000000005 108.425 172.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.7 p -140.59 135.97 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.682 0.793 . . . . 71.450000000000003 110.864 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -131.09 147.03 52.57 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.739 0.816 . . . . 61.340000000000003 109.698 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -112.62 134.08 54.33 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 108.162 -1.051 . . . . 72.099999999999994 108.162 177.601 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 28.7 m -133.78 171.78 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 125.316 1.446 . . . . 74.430000000000007 108.445 173.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.5 p -134.23 -23.81 1.67 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.553 0.741 . . . . 75.099999999999994 111.071 -175.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -113.05 162.56 15.76 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.187 0.518 . . . . 55.219999999999999 110.708 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.66 -57.32 5.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.269 -1.332 . . . . 72.019999999999996 111.204 -176.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.53 -27.77 69.39 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.543 -0.753 . . . . 72.040000000000006 111.712 -178.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -69.2 -44.95 71.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.241 1.016 . . . . 72.340000000000003 110.442 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.22 -43.9 95.64 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.447 -0.797 . . . . 51.5 111.124 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.24 -28.56 68.13 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.308 1.043 . . . . 62.25 112.174 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.29 -51.62 59.55 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.07 0.548 . . . . 64.299999999999997 109.577 172.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.431 ' HA ' ' HG2' ' A' ' 119' ' ' GLU . 28.7 mm -69.98 -29.75 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 114.626 -1.17 . . . . 72.219999999999999 111.87 -170.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 113' ' ' ALA . 99.5 t -56.67 -43.08 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.852 0.861 . . . . 64.030000000000001 110.182 173.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.01 -29.02 62.71 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.266 -0.879 . . . . 72.530000000000001 111.349 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.431 ' HG2' ' HA ' ' A' ' 116' ' ' ILE . 9.2 mm-40 -65.44 -46.96 77.82 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 109.769 -0.456 . . . . 72.010000000000005 109.769 176.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.478 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 26.1 m-85 -55.77 -36.91 67.85 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.616 0.766 . . . . 54.299999999999997 111.983 176.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.442 ' HE3' HG12 ' A' ' 117' ' ' VAL . 66.9 mtt -61.87 -34.05 75.3 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.103 0.877 . . . . 74.420000000000002 111.819 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -67.3 -47.84 69.41 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.968 0.907 . . . . 60.210000000000001 110.633 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -28.09 62.89 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 115.841 -0.618 . . . . 64.120000000000005 110.209 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.9 -25.09 58.68 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.633 0.773 . . . . 71.129999999999995 110.007 173.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -67.33 -35.01 86.96 Favored Glycine 0 C--N 1.356 1.644 0 O-C-N 123.672 0.607 . . . . 60.450000000000003 112.045 175.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.3 m -66.32 -20.08 65.99 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.233 0.613 . . . . 73.439999999999998 111.795 173.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.479 0.983 0 C-N-CA 123.714 0.806 . . . . 65.019999999999996 109.598 174.947 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.478 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 14.8 tpt . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.273 -0.64 . . . . 42.049999999999997 109.273 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.498 ' HZ3' HD23 ' A' ' 45' ' ' LEU . 11.2 ptpt -118.89 136.76 53.88 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.261 0.624 . . . . 74.140000000000001 110.215 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.533 HD13 ' HB1' ' A' ' 124' ' ' ALA . 70.0 mt -94.06 105.12 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.019 0.928 . . . . 64.430000000000007 109.169 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.438 HD11 ' HD3' ' A' ' 2' ' ' LYS . 11.1 mp -100.33 127.1 46.71 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.443 0.697 . . . . 75.349999999999994 110.198 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 60.2 mt -105.4 104.37 16.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 107.182 -1.414 . . . . 51.329999999999998 107.182 165.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -88.2 127.56 35.44 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.077 -1.083 . . . . 73.239999999999995 108.077 179.158 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.503 HG13 HG21 ' A' ' 18' ' ' ILE . 44.4 mm -122.35 121.94 65.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.77 0 C-N-CA 123.948 0.899 . . . . 75.329999999999998 109.508 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.637 ' HB2' HD21 ' A' ' 64' ' ' LEU . 33.7 t30 -126.48 101.25 6.6 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 107.954 -1.128 . . . . 65.040000000000006 107.954 170.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.525 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 2.7 t -130.87 139.49 50.13 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.386 -0.825 . . . . 72.019999999999996 109.282 171.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -75.67 -18.1 59.75 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 109.305 -0.628 . . . . 63.299999999999997 109.305 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -79.41 88.71 5.0 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 107.144 -1.428 . . . . 73.430000000000007 107.144 170.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.75 -21.96 65.25 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.381 0.672 . . . . 75.430000000000007 111.541 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -77.66 -29.26 51.49 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.057 0.943 . . . . 73.099999999999994 110.965 174.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.55 -30.54 70.87 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.014 0.526 . . . . 73.230000000000004 110.152 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.583 HG21 ' HG3' ' A' ' 57' ' ' LYS . 63.4 mt -59.95 -40.08 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 122.909 0.484 . . . . 44.149999999999999 110.275 173.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 14.6 mmmm -63.49 -31.32 72.45 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.697 0.623 . . . . 73.340000000000003 111.138 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' HE2' HD11 ' A' ' 114' ' ' LEU . 45.3 mtpt -75.62 -43.67 46.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.545 0.738 . . . . 65.219999999999999 110.51 177.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.503 HG21 HG13 ' A' ' 7' ' ' ILE . 84.5 mt -62.11 -30.61 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 114.823 -1.08 . . . . 74.109999999999999 110.205 175.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 25.0 mtpp -61.58 -51.25 69.3 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-O 118.371 -0.823 . . . . 64.239999999999995 109.257 171.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -52.94 -41.08 64.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 123.504 0.502 . . . . 62.439999999999998 111.02 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.5 -52.89 63.75 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.277 0.985 . . . . 61.32 110.903 176.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.648 HG11 HD13 ' A' ' 55' ' ' LEU . 14.1 m -78.88 -24.19 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 N-CA-C 112.755 0.65 . . . . 71.010000000000005 112.755 -173.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 64.6 mm-40 -69.29 -39.2 78.46 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.815 0.846 . . . . 75.230000000000004 109.497 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -67.21 -21.67 65.75 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.902 -1.045 . . . . 63.229999999999997 111.309 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -102.89 -0.27 31.41 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.799 0.84 . . . . 73.540000000000006 111.327 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.77 37.15 27.07 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 115.127 0.811 . . . . 73.530000000000001 115.127 171.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.513 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 7.8 m-85 -89.95 135.92 33.36 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.212 0.605 . . . . 73.450000000000003 109.908 174.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -82.28 115.02 21.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.865 0.866 . . . . 63.399999999999999 109.204 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.9 t -81.97 108.48 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.662 0.385 . . . . 43.240000000000002 110.516 -176.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -97.78 162.59 13.19 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.407 1.483 . . . . 64.530000000000001 109.205 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.57 123.23 8.57 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.262 0.553 . . . . 70.409999999999997 111.589 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.494 HG12 HD13 ' A' ' 63' ' ' LEU . 26.9 t -95.83 122.29 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.802 0.841 . . . . 65.319999999999993 109.467 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -103.24 -34.91 8.64 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.091 0.556 . . . . 73.049999999999997 111.838 -177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -147.72 170.28 17.9 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.343 0.657 . . . . 72.099999999999994 110.266 -169.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t -65.38 -37.37 86.81 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.155 0.982 . . . . 74.120000000000005 111.952 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.75 -46.65 84.39 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.735 0.814 . . . . 75.120000000000005 109.59 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.41 -37.59 84.04 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.946 -1.024 . . . . 72.340000000000003 110.59 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 67' ' ' MET . 67.9 tp -58.34 -56.67 19.03 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.82 0.848 . . . . 74.310000000000002 110.704 -177.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -32.36 73.9 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 123.848 0.718 . . . . 62.43 111.513 -176.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -58.01 -48.39 80.18 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.402 0.62 . . . . 72.319999999999993 111.65 172.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -75.55 -23.68 56.63 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.884 -1.053 . . . . 75.420000000000002 111.077 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.488 ' SD ' HD12 ' A' ' 45' ' ' LEU . 72.9 mmm -71.4 -31.71 67.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.148 0.579 . . . . 74.409999999999997 110.143 173.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -37.46 87.55 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 115.992 -0.549 . . . . 72.239999999999995 109.723 174.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -64.72 -36.75 85.31 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.525 0.516 . . . . 75.140000000000001 111.092 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.498 HD23 ' HZ3' ' A' ' 2' ' ' LYS . 76.6 mt -69.09 -28.04 66.14 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 122.781 0.432 . . . . 74.430000000000007 110.88 176.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.43 -40.35 30.13 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.683 0.793 . . . . 72.510000000000005 111.747 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -74.53 -52.52 11.66 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.988 0.915 . . . . 72.430000000000007 111.354 -175.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.411 ' O ' ' HE3' ' A' ' 2' ' ' LYS . 41.1 mt-10 -77.98 94.26 4.59 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.591 -0.732 . . . . 72.25 109.326 -177.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -93.02 -16.15 25.37 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.751 0.82 . . . . 74.040000000000006 110.058 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -62.25 147.97 46.32 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.838 0.855 . . . . 64.109999999999999 110.437 175.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.478 ' HA ' ' O ' ' A' ' 1' ' ' MET . 79.2 t80 -65.47 120.36 12.71 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.554 0.742 . . . . 74.200000000000003 110.477 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -154.94 145.93 22.63 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.441 0.639 . . . . 64.450000000000003 110.972 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -97.04 120.95 38.35 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.395 1.478 . . . . 75.209999999999994 108.808 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.7 mt -125.8 136.77 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 123.647 0.779 . . . . 74.329999999999998 109.953 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.648 HD13 HG11 ' A' ' 22' ' ' VAL . 24.0 tp -100.16 113.05 25.42 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.343 -0.984 . . . . 73.230000000000004 108.343 169.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.6 mm -92.65 110.43 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.221 -0.659 . . . . 73.310000000000002 109.221 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.583 ' HG3' HG21 ' A' ' 15' ' ' ILE . 6.3 tmtm? -93.87 119.16 32.43 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.639 0.776 . . . . 63.439999999999998 108.955 174.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.5 t -156.94 118.41 3.75 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.384 -0.969 . . . . 61.509999999999998 108.384 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -94.73 8.46 42.44 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.235 1.014 . . . . 65.310000000000002 111.318 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.43 ' HB3' HD12 ' A' ' 63' ' ' LEU . 28.8 t70 -108.9 101.9 10.96 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.79 -0.819 . . . . 74.530000000000001 108.79 173.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -18.78 49.9 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 113.887 1.069 . . . . 53.130000000000003 113.887 -174.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -69.91 -46.35 65.6 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.746 -0.465 . . . . 74.540000000000006 109.746 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.494 HD13 HG12 ' A' ' 32' ' ' VAL . 83.4 mt -55.69 -35.62 66.26 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 124.002 0.814 . . . . 65.299999999999997 111.288 176.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 8' ' ' ASN . 11.2 mp -64.24 -53.25 52.1 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.827 0.851 . . . . 74.0 111.496 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -60.88 -47.18 87.56 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.925 0.766 . . . . 75.129999999999995 109.981 -174.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.05 -37.13 86.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.89 -1.05 . . . . 73.409999999999997 111.317 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.426 ' HB2' HD11 ' A' ' 38' ' ' LEU . 33.9 ttm -59.28 -51.84 68.24 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.056 0.942 . . . . 73.420000000000002 110.276 176.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.542 HD23 HD12 ' A' ' 71' ' ' ILE . 96.2 mt -66.28 -32.44 73.85 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.362 1.039 . . . . 63.409999999999997 111.793 -175.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.57 -30.57 70.22 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.232 0.613 . . . . 73.409999999999997 111.058 175.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.8 mt -84.58 -26.8 27.71 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.09 0.556 . . . . 54.149999999999999 111.31 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.542 HD12 HD23 ' A' ' 68' ' ' LEU . 58.7 mt -69.74 -22.63 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.625 0.77 . . . . 63.5 109.987 173.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.4 m -60.65 -20.6 61.25 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.566 0.746 . . . . 64.25 112.023 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.73 -28.83 40.47 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.753 0.821 . . . . 74.340000000000003 111.057 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.1 mt -85.62 -48.33 8.99 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.848 0.859 . . . . 64.129999999999995 110.707 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.4 80.67 0.77 Allowed Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.936 -0.575 . . . . 63.43 113.544 173.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -152.29 167.07 29.83 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.183 0.593 . . . . 61.130000000000003 110.89 172.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -73.57 111.19 8.48 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.009 -0.996 . . . . 71.319999999999993 110.125 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.0 t -108.5 139.95 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.782 -0.822 . . . . 73.109999999999999 108.782 172.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' HA ' ' HB3' ' A' ' 103' ' ' GLU . 94.0 m-85 -103.91 146.96 27.9 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.629 1.172 . . . . 63.219999999999999 107.974 176.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD13 ' HB3' ' A' ' 6' ' ' LEU . 28.9 tp -142.28 139.27 31.83 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.874 0.47 . . . . 73.120000000000005 110.053 176.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.9 tp -129.66 134.95 47.96 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.405 1.082 . . . . 73.299999999999997 109.118 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.52 ' HB3' HD22 ' A' ' 90' ' ' LEU . 80.9 mt -121.42 110.36 15.98 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.51 1.124 . . . . 73.25 108.425 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.525 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -126.32 110.92 13.93 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 121.307 0.575 . . . . 61.130000000000003 111.109 -178.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.543 ' HB3' HD11 ' A' ' 90' ' ' LEU . 20.8 t70 -170.78 153.7 4.1 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.246 0.618 . . . . 74.310000000000002 109.866 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -71.36 -24.18 62.04 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.921 0.889 . . . . 71.5 111.172 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -86.61 68.87 10.29 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 107.133 -1.432 . . . . 55.310000000000002 107.133 167.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.533 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -72.1 -14.05 61.74 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 114.333 -1.303 . . . . 73.319999999999993 111.248 178.515 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -57.87 -53.7 55.27 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.654 1.181 . . . . 64.219999999999999 110.681 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -72.62 -27.9 62.43 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.086 0.241 . . . . 75.230000000000004 111.606 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 84' ' ' ASP . 79.8 mt -68.65 -36.68 78.9 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.826 0.45 . . . . 71.549999999999997 110.44 175.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 10.1 tp10 -70.45 -29.56 66.16 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 123.758 0.661 . . . . 74.239999999999995 110.094 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.41 -39.2 39.63 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.205 0.602 . . . . 72.25 109.555 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -68.5 -41.18 80.42 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.865 -0.607 . . . . 71.340000000000003 111.895 -177.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -24.81 67.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.592 0.357 . . . . 63.32 111.373 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 2.2 mmp_? -62.25 -39.48 93.0 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 123.724 0.809 . . . . 53.350000000000001 111.426 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.419 ' H ' ' HD2' ' A' ' 96' ' ' LYS . 2.4 mptp? -68.76 -51.33 42.37 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 109.681 -0.489 . . . . 74.120000000000005 109.681 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.492 HD12 HD12 ' A' ' 68' ' ' LEU . 35.1 mm -63.94 -39.46 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 114.578 -1.192 . . . . 63.25 111.352 -170.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -69.79 -32.62 71.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.242 1.017 . . . . 72.209999999999994 110.352 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.8 m -76.25 -27.64 56.8 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.369 0.668 . . . . 73.140000000000001 111.288 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -73.5 -13.57 61.07 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.51 0.724 . . . . 62.140000000000001 110.81 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.55 31.44 21.7 Favored Glycine 0 C--N 1.346 1.13 0 O-C-N 123.261 0.351 . . . . 73.239999999999995 112.34 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -112.51 145.63 39.91 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.329 0.652 . . . . 75.549999999999997 109.992 175.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.561 ' HB3' ' HA ' ' A' ' 79' ' ' PHE . 8.4 tp10 -68.17 119.95 13.57 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 115.34 -0.846 . . . . 71.430000000000007 108.928 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.7 p -138.99 133.89 41.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 O-C-N 123.705 0.628 . . . . 74.349999999999994 109.413 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -130.12 119.54 23.18 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.621 0.769 . . . . 74.439999999999998 109.221 -174.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.533 ' HE3' ' HB2' ' A' ' 87' ' ' GLU . 1.5 tmtp? -94.87 120.32 34.9 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.032 0.933 . . . . 75.310000000000002 108.77 -177.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -139.0 -174.88 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 124.768 1.227 . . . . 70.019999999999996 109.125 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.7 p -139.53 -54.55 0.56 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.236 1.015 . . . . 60.130000000000003 109.889 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -73.89 158.37 34.59 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.411 -1.268 . . . . 63.409999999999997 112.007 -166.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.04 -59.6 5.21 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.795 1.238 . . . . 73.310000000000002 111.577 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.03 -23.96 48.01 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.244 0.218 . . . . 71.109999999999999 110.719 -174.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.452 ' O ' HG12 ' A' ' 116' ' ' ILE . 44.7 tt0 -66.27 -34.35 77.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.376 0.67 . . . . 71.340000000000003 110.256 174.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.49 -50.06 35.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.836 0.454 . . . . 62.43 110.956 173.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.439 HD11 ' HE2' ' A' ' 17' ' ' LYS . 96.0 mt -58.52 -36.77 74.35 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.845 0.858 . . . . 75.439999999999998 112.529 -175.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -65.98 -37.05 84.97 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 123.433 0.458 . . . . 72.120000000000005 110.748 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 112' ' ' GLU . 20.4 mm -72.02 -30.14 35.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 O-C-N 123.472 0.482 . . . . 64.140000000000001 110.306 -179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.35 -43.38 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.291 0.636 . . . . 72.129999999999995 110.07 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -65.72 -30.58 71.27 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.498 -0.774 . . . . 74.030000000000001 110.465 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.424 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 37.9 mt-10 -70.84 -41.44 71.48 Favored 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 123.38 0.672 . . . . 72.540000000000006 111.167 174.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -55.23 -24.23 26.54 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 118.386 0.539 . . . . 73.049999999999997 112.037 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 18.7 mmt -68.42 -49.6 58.8 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.533 0.733 . . . . 72.519999999999996 110.373 174.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 119' ' ' GLU . 19.1 pt20 -77.25 -23.15 51.3 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.132 0.573 . . . . 75.209999999999994 111.44 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 6.1 mptp? -70.33 -42.83 71.42 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.798 0.839 . . . . 55.119999999999997 108.768 172.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.533 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -67.22 -13.59 62.11 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.376 -0.829 . . . . 35.030000000000001 111.697 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -61.78 -29.11 71.31 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.453 0.47 . . . . 52.43 113.452 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.0 p -73.84 -29.45 62.13 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.678 0.391 . . . . 64.049999999999997 110.171 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.86 -35.7 72.52 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.073 0.949 . . . . 75.329999999999998 109.694 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.52 -41.69 83.99 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.914 -1.039 . . . . 62.149999999999999 110.204 175.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -85.51 74.43 10.32 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.631 0.729 . . . . 73.310000000000002 111.047 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -133.41 91.13 2.81 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 107.723 -1.214 . . . . 70.230000000000004 107.723 168.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 66.21 9.93 6.72 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.47 1.108 . . . . 74.120000000000005 111.88 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -90.85 83.23 5.67 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.314 0.645 . . . . 73.540000000000006 109.741 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -75.86 163.11 27.55 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.671 -0.695 . . . . 54.240000000000002 110.581 177.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 43.4 m80 . . . . . 0 C--O 1.254 1.303 0 N-CA-C 108.056 -1.091 . . . . 70.430000000000007 108.056 170.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.715 ' HG2' ' HB3' ' A' ' 127' ' ' LEU . 56.5 tpp . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.457 -0.571 . . . . 74.209999999999994 109.457 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.516 ' HD3' HD22 ' A' ' 45' ' ' LEU . 24.1 ttmm -88.9 115.62 26.59 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.319 -0.993 . . . . 64.239999999999995 108.319 175.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.552 HD13 ' HB1' ' A' ' 124' ' ' ALA . 66.2 mt -95.63 105.76 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.501 0.72 . . . . 72.519999999999996 110.012 -173.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.2 mp -103.17 144.4 31.37 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 109.482 -0.562 . . . . 71.030000000000001 109.482 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.0 mt -122.6 112.31 33.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 107.394 -1.335 . . . . 55.240000000000002 107.394 166.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.529 HD21 ' SD ' ' A' ' 67' ' ' MET . 87.5 mt -88.4 121.52 30.88 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 108.678 -0.86 . . . . 74.430000000000007 108.678 179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -111.11 115.25 49.38 Favored 'Isoleucine or valine' 0 C--O 1.245 0.867 0 N-CA-C 108.421 -0.955 . . . . 73.129999999999995 108.421 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -126.33 101.07 6.56 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 106.964 -1.495 . . . . 72.219999999999999 106.964 170.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.584 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.8 t -130.43 144.87 51.67 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 115.007 -0.997 . . . . 72.219999999999999 109.874 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -66.0 -37.78 86.81 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.452 -0.795 . . . . 52.229999999999997 109.076 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 49.9 t30 -82.96 94.1 7.67 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.014 0.926 . . . . 74.129999999999995 109.647 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.23 -21.51 62.11 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.707 0.803 . . . . 63.329999999999998 111.846 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -62.21 -34.88 77.31 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.561 0.744 . . . . 73.519999999999996 110.459 174.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' A' ' 11' ' ' ASN . 31.2 tp -62.38 -35.17 78.33 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.328 1.051 . . . . 53.119999999999997 112.003 173.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.569 HD13 ' HG2' ' A' ' 57' ' ' LYS . 54.8 mt -65.81 -32.5 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 122.971 0.509 . . . . 61.520000000000003 111.208 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -59.53 -36.99 77.2 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.475 0.655 . . . . 74.099999999999994 109.859 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.532 ' HE2' HD11 ' A' ' 114' ' ' LEU . 39.7 mtpt -71.96 -48.93 41.58 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.123 -1.398 . . . . 73.140000000000001 109.91 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.92 -30.91 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.36 1.064 . . . . 65.530000000000001 111.041 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.543 ' HE3' HG11 ' A' ' 29' ' ' VAL . 59.1 mtpt -62.92 -47.67 82.26 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 122.957 0.503 . . . . 74.430000000000007 110.521 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -65.49 -33.08 75.09 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.195 0.198 . . . . 74.430000000000007 111.283 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -60.78 -44.14 97.17 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.395 0.678 . . . . 55.329999999999998 111.425 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.703 HG11 HD13 ' A' ' 55' ' ' LEU . 16.8 m -81.9 -26.87 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 112.015 0.376 . . . . 63.140000000000001 112.015 -177.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.0 -27.41 65.66 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.467 0.707 . . . . 70.310000000000002 110.57 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -55.13 -36.88 66.24 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.653 0.781 . . . . 75.109999999999999 110.827 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -108.99 7.5 25.89 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.824 0.85 . . . . 74.030000000000001 112.239 -176.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.31 38.69 62.65 Favored Glycine 0 C--N 1.347 1.166 0 N-CA-C 115.034 0.774 . . . . 72.209999999999994 115.034 171.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.542 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 9.0 m-85 -78.82 150.59 32.27 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 117.148 0.474 . . . . 73.010000000000005 110.298 171.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.465 HE21 HG12 ' A' ' 54' ' ' ILE . 8.8 tt0 -87.22 113.18 22.72 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.193 0.997 . . . . 63.340000000000003 109.226 177.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.543 HG11 ' HE3' ' A' ' 19' ' ' LYS . 57.9 t -78.17 102.03 4.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 109.273 -0.64 . . . . 75.329999999999998 109.273 177.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.717 HH22 HD21 ' A' ' 45' ' ' LEU . 48.9 ttp180 -118.69 132.02 56.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.731 0.812 . . . . 75.540000000000006 108.967 172.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -111.37 139.42 46.79 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.224 0.61 . . . . 74.510000000000005 110.694 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 63' ' ' LEU . 74.7 t -126.67 112.25 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.986 1.314 . . . . 73.140000000000001 107.994 174.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -113.75 -5.05 13.32 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.779 0.432 . . . . 73.219999999999999 112.051 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -136.61 157.56 46.49 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.844 0.858 . . . . 72.140000000000001 110.172 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 m -65.36 -36.2 83.28 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.372 1.069 . . . . 72.239999999999995 112.548 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.59 -47.18 86.65 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 123.628 0.58 . . . . 65.140000000000001 109.693 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.79 -32.87 74.13 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.835 -1.075 . . . . 62.229999999999997 110.684 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 67' ' ' MET . 32.1 tp -62.7 -61.22 2.57 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 124.021 0.826 . . . . 61.329999999999998 111.086 177.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.74 -26.7 67.86 Favored 'General case' 0 CA--C 1.549 0.905 0 O-C-N 123.345 0.403 . . . . 62.5 111.748 -174.01 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -60.78 -55.14 36.61 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.128 0.571 . . . . 72.230000000000004 111.089 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.51 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -74.49 -26.03 59.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.2 0.6 . . . . 70.400000000000006 111.11 -177.799 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.7 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -63.9 -39.22 93.68 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.324 0.65 . . . . 64.140000000000001 110.95 177.2 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.6 mmtp -66.73 -34.88 78.81 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 123.455 0.472 . . . . 73.409999999999997 110.643 175.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -62.88 -35.59 80.51 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.567 0.347 . . . . 74.239999999999995 111.343 176.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.717 HD21 HH22 ' A' ' 30' ' ' ARG . 44.5 mt -76.67 -32.15 57.74 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.442 0.697 . . . . 71.150000000000006 110.753 179.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.95 -36.69 41.2 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.654 0.782 . . . . 43.329999999999998 111.953 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.23 -40.38 52.23 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.047 0.939 . . . . 70.530000000000001 110.559 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -123.52 78.05 1.56 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.634 0.774 . . . . 72.430000000000007 109.29 -176.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -82.34 72.04 9.4 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 108.458 -0.941 . . . . 62.310000000000002 108.458 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -107.72 166.36 10.74 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.389 1.076 . . . . 65.420000000000002 109.989 -176.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -66.67 105.66 1.61 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 108.648 -0.871 . . . . 71.510000000000005 108.648 173.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -151.89 127.22 9.92 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.091 0.556 . . . . 73.239999999999995 109.803 -174.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -96.22 120.67 36.93 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.949 0.9 . . . . 53.539999999999999 109.245 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.465 HG12 HE21 ' A' ' 28' ' ' GLN . 23.6 mt -130.44 130.85 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.55 0.74 . . . . 75.0 109.553 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.703 HD13 HG11 ' A' ' 22' ' ' VAL . 25.1 tp -93.92 120.19 33.84 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.792 -1.188 . . . . 63.409999999999997 107.792 165.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 45.4 mm -100.65 124.05 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.801 0.44 . . . . 75.329999999999998 110.349 175.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.569 ' HG2' HD13 ' A' ' 15' ' ' ILE . 5.8 tmtm? -99.58 122.81 43.16 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 107.793 -1.188 . . . . 74.329999999999998 107.793 171.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.518 ' HB3' HD11 ' A' ' 64' ' ' LEU . 47.9 t -146.55 135.95 22.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.663 0.385 . . . . 61.140000000000001 110.076 177.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -83.28 -41.04 18.77 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.321 0.649 . . . . 70.400000000000006 110.184 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.68 133.99 34.37 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.292 0.637 . . . . 65.099999999999994 110.265 -175.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -73.44 -32.36 64.33 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.341 1.056 . . . . 72.230000000000004 111.462 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -73.84 -25.92 60.32 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.086 0.555 . . . . 64.540000000000006 110.764 -169.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.52 HD13 HG12 ' A' ' 32' ' ' VAL . 87.8 mt -59.95 -42.13 93.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.482 0.713 . . . . 72.109999999999999 110.84 172.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.4 mp -67.49 -34.87 78.02 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.798 0.839 . . . . 54.409999999999997 110.621 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -58.36 -58.82 6.82 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.663 0.602 . . . . 55.520000000000003 110.635 174.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.473 ' HB2' HD21 ' A' ' 38' ' ' LEU . 31.6 mt-10 -59.83 -40.89 90.01 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.184 0.928 . . . . 73.310000000000002 111.419 -175.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.7 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 55.2 ttm -58.37 -54.06 51.24 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.512 1.133 . . . . 71.310000000000002 110.814 -178.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.557 HD12 HD12 ' A' ' 97' ' ' ILE . 96.0 mt -68.85 -25.44 64.64 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.46 0.704 . . . . 72.030000000000001 112.626 -176.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -77.36 -22.18 52.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.086 0.555 . . . . 72.540000000000006 111.243 176.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.455 HD12 ' SD ' ' A' ' 42' ' ' MET . 97.2 mt -85.55 -33.18 21.8 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.214 0.606 . . . . 62.450000000000003 111.031 169.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.4 mt -71.15 -27.66 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.809 0.844 . . . . 73.25 110.727 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.7 p -64.88 -25.11 67.75 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.114 0.566 . . . . 62.310000000000002 111.702 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -77.53 -28.1 51.86 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.718 0.807 . . . . 44.219999999999999 111.131 174.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.8 mt -86.1 -38.91 17.28 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.884 0.873 . . . . 62.399999999999999 111.196 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.81 84.25 0.34 Allowed Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.55 -0.75 . . . . 70.530000000000001 113.723 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -159.72 152.0 20.92 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.141 0.977 . . . . 54.329999999999998 109.827 166.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.426 ' HD3' HD21 ' A' ' 127' ' ' LEU . 83.8 tttt -80.51 133.85 35.87 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 120.939 0.4 . . . . 74.109999999999999 111.518 -173.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.7 t -121.01 141.16 42.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 124.197 0.999 . . . . 62.119999999999997 109.424 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.505 ' HA ' ' HB3' ' A' ' 103' ' ' GLU . 91.5 m-85 -105.11 115.48 30.34 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.734 1.214 . . . . 73.140000000000001 109.266 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.0 tp -100.47 141.28 33.54 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.909 0.484 . . . . 74.230000000000004 110.003 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 116' ' ' ILE . 51.6 tp -132.41 117.46 18.11 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 124.439 1.096 . . . . 71.230000000000004 108.875 172.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.487 ' HB3' HD22 ' A' ' 90' ' ' LEU . 74.3 mt -104.67 121.97 44.69 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.877 1.271 . . . . 74.340000000000003 108.325 177.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.584 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -128.6 110.97 12.72 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 118.77 0.714 . . . . 71.019999999999996 111.249 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -167.42 147.52 5.29 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.069 0.548 . . . . 65.299999999999997 109.749 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -68.76 -38.29 79.98 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 123.911 0.757 . . . . 62.0 110.505 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -80.34 80.59 6.76 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 122.487 1.137 . . . . 71.140000000000001 108.643 171.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.444 ' CB ' ' HE3' ' A' ' 106' ' ' LYS . 12.0 pt-20 -75.78 -13.35 60.29 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 114.027 -1.442 . . . . 63.299999999999997 112.056 -177.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -56.3 -36.85 69.13 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.716 0.806 . . . . 71.200000000000003 110.508 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.41 -49.75 68.07 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.114 -0.948 . . . . 74.310000000000002 111.099 172.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 82' ' ' LEU . 41.0 mt -70.61 -19.22 62.86 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.327 -0.851 . . . . 73.420000000000002 111.686 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.62 -41.76 62.38 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 123.829 0.852 . . . . 72.140000000000001 110.656 -174.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -68.98 -43.74 74.29 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.382 -0.372 . . . . 60.43 110.379 172.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.431 ' HD2' HD11 ' A' ' 82' ' ' LEU . 32.7 t80 -61.82 -45.01 95.66 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-N 115.261 -0.881 . . . . 71.310000000000002 111.375 -172.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.531 ' HA ' HG21 ' A' ' 104' ' ' VAL . 19.4 ptpt -60.67 -34.62 74.6 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.089 0.556 . . . . 74.540000000000006 111.746 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -72.14 -31.99 66.5 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.326 0.65 . . . . 74.340000000000003 111.352 -175.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 13.7 mptt -68.07 -49.14 63.16 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.95 0.5 . . . . 72.420000000000002 110.015 174.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.557 HD12 HD12 ' A' ' 68' ' ' LEU . 37.9 mm -67.84 -37.64 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.738 0.815 . . . . 54.399999999999999 111.422 -175.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.19 -37.97 89.39 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.164 -0.926 . . . . 73.0 110.386 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -72.35 -31.05 65.28 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.288 0.635 . . . . 62.200000000000003 110.758 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 97.0 mt-30 -71.74 -11.08 60.65 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.434 0.694 . . . . 73.530000000000001 111.195 175.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.47 15.53 52.82 Favored Glycine 0 C--N 1.35 1.313 0 CA-C-N 116.439 -0.346 . . . . 31.539999999999999 113.167 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -99.99 156.58 17.08 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.089 0.556 . . . . 74.439999999999998 110.797 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.505 ' HB3' ' HA ' ' A' ' 79' ' ' PHE . 8.3 tp10 -72.87 130.25 40.0 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.935 -1.03 . . . . 74.409999999999997 108.39 176.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.531 HG21 ' HA ' ' A' ' 94' ' ' LYS . 7.6 p -138.77 122.46 19.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 CA-C-O 121.617 0.722 . . . . 72.439999999999998 110.135 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -117.51 136.78 53.0 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.322 1.049 . . . . 75.439999999999998 108.546 173.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.444 ' HE3' ' CB ' ' A' ' 87' ' ' GLU . 11.1 tmtt? -111.28 143.16 42.49 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.485 -0.931 . . . . 70.450000000000003 108.485 173.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.9 m -144.82 174.71 3.27 Favored 'Isoleucine or valine' 0 C--O 1.245 0.835 0 C-N-CA 125.317 1.447 . . . . 51.539999999999999 108.946 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.7 p -129.3 -45.26 1.23 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.659 0.784 . . . . 72.400000000000006 109.669 174.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.99 162.28 22.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.386 0.674 . . . . 64.420000000000002 111.392 -176.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.453 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 11.3 p-10 -74.17 -49.98 21.27 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 114.661 -1.154 . . . . 72.230000000000004 110.813 -176.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -29.77 68.59 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.731 0.412 . . . . 72.409999999999997 111.095 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.493 ' O ' HG12 ' A' ' 116' ' ' ILE . 51.0 tt0 -67.35 -39.92 85.79 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 124.27 0.981 . . . . 62.140000000000001 110.067 176.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.89 -46.45 84.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.932 0.493 . . . . 72.040000000000006 111.298 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.532 HD11 ' HE2' ' A' ' 17' ' ' LYS . 98.3 mt -61.58 -42.35 98.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.534 -0.757 . . . . 64.400000000000006 111.803 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 14.6 ptmm? -69.14 -24.98 64.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.72 0.408 . . . . 72.530000000000001 110.939 -175.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.575 HG21 HD13 ' A' ' 81' ' ' LEU . 37.5 mm -70.67 -45.66 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.382 0.673 . . . . 73.299999999999997 110.13 172.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.92 -34.45 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.587 0.755 . . . . 63.130000000000003 110.515 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -67.02 -35.92 80.98 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.912 0.885 . . . . 75.420000000000002 110.648 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.456 ' HB3' ' NZ ' ' A' ' 123' ' ' LYS . 61.7 mt-10 -75.35 -33.82 61.12 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.884 0.474 . . . . 74.109999999999999 111.409 174.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -59.07 -28.25 66.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.708 0.803 . . . . 74.530000000000001 111.499 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.633 ' HE3' ' HA ' ' A' ' 22' ' ' VAL . 21.1 mmt -63.29 -42.97 99.13 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.015 0.822 . . . . 71.340000000000003 110.96 175.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -78.83 -35.8 43.5 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.871 -0.604 . . . . 71.430000000000007 110.162 -172.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.456 ' NZ ' ' HB3' ' A' ' 119' ' ' GLU . 59.8 mttp -65.01 -39.28 93.19 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 114.754 -1.112 . . . . 74.209999999999994 110.956 173.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.552 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -71.15 -30.89 67.03 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.62 0.768 . . . . 72.219999999999999 111.247 176.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -67.11 -29.66 74.78 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.73 -0.668 . . . . 72.329999999999998 112.003 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.6 m -72.36 -28.29 62.94 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.496 0.718 . . . . 65.010000000000005 111.328 175.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.715 ' HB3' ' HG2' ' A' ' 1' ' ' MET . 61.4 mt -65.78 -42.71 90.44 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.404 0.682 . . . . 43.219999999999999 111.693 177.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -82.28 -23.53 35.2 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 116.138 -0.483 . . . . 75.230000000000004 111.302 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -59.21 113.88 2.35 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.714 1.206 . . . . 72.450000000000003 110.131 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -67.53 86.85 0.2 Allowed 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 122.273 1.035 . . . . 73.329999999999998 112.34 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -103.23 79.42 1.73 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 107.9 -1.148 . . . . 65.340000000000003 107.9 172.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -76.73 146.3 38.07 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.851 -0.613 . . . . 73.120000000000005 109.481 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -142.31 89.9 2.2 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.385 0.612 . . . . 73.319999999999993 109.671 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 72.2 t60 . . . . . 0 C--O 1.253 1.263 0 CA-C-N 114.949 -1.023 . . . . 37.640000000000001 108.633 176.751 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.291 -0.633 . . . . 75.310000000000002 109.291 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -144.86 161.88 38.2 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.048 0.452 . . . . 62.130000000000003 110.875 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.585 HD12 ' HG2' ' A' ' 53' ' ' LYS . 84.0 mt -97.31 120.96 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.365 1.066 . . . . 74.239999999999995 109.506 -177.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.512 ' HB2' HG22 ' A' ' 78' ' ' VAL . 10.3 mp -120.53 123.77 43.73 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.357 -0.979 . . . . 52.43 108.357 169.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.418 ' HB ' HD12 ' A' ' 55' ' ' LEU . 50.6 mt -117.12 114.56 46.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 107.362 -1.347 . . . . 70.400000000000006 107.362 172.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.648 ' HB3' HD23 ' A' ' 64' ' ' LEU . 82.4 mt -88.99 139.08 30.81 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 108.923 -0.769 . . . . 60.210000000000001 108.923 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -128.58 115.93 39.44 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 123.807 0.843 . . . . 71.349999999999994 108.976 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.442 ' HB3' HD23 ' A' ' 82' ' ' LEU . 28.0 t-20 -125.5 99.49 6.05 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 107.04 -1.467 . . . . 64.310000000000002 107.04 171.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -130.22 138.04 50.35 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.32 0.648 . . . . 64.310000000000002 109.689 173.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -80.0 -14.4 58.59 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.819 0.847 . . . . 65.010000000000005 110.178 174.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -74.56 103.58 4.93 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 107.441 -1.318 . . . . 74.519999999999996 107.441 171.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.84 -53.48 55.32 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.352 0.661 . . . . 61.229999999999997 112.151 -170.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -77.77 -16.32 58.47 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.961 0.356 . . . . 73.430000000000007 111.961 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 32.6 tp -61.44 -37.46 83.62 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.996 -0.372 . . . . 74.299999999999997 109.996 170.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 92.3 mt -51.95 -52.01 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 O-C-N 124.067 0.855 . . . . 74.25 110.156 172.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -56.65 -41.25 76.87 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.317 1.047 . . . . 72.0 111.644 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' A' ' 14' ' ' LEU . 54.8 mtpt -67.39 -39.8 85.61 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.285 -0.87 . . . . 74.439999999999998 111.417 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.436 HG12 HG21 ' A' ' 117' ' ' VAL . 82.2 mt -70.34 -34.78 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.946 0.898 . . . . 70.040000000000006 110.275 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.484 ' HG2' HG11 ' A' ' 29' ' ' VAL . 62.1 mtpt -63.33 -51.8 64.45 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.145 0.578 . . . . 64.120000000000005 109.646 176.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -62.6 -32.91 74.0 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.841 0.456 . . . . 63.0 111.508 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.5 -46.39 88.66 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 123.861 0.726 . . . . 72.230000000000004 111.292 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.651 HG11 HD13 ' A' ' 55' ' ' LEU . 24.3 m -81.06 -24.85 10.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 115.941 -0.572 . . . . 73.409999999999997 111.304 -178.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 38.3 mt-10 -63.31 -29.06 70.44 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.361 0.664 . . . . 65.430000000000007 110.666 174.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -56.25 -29.2 60.75 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.046 0.939 . . . . 73.310000000000002 112.287 174.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -112.95 15.71 19.61 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.57 0.748 . . . . 74.409999999999997 111.597 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.59 37.91 85.6 Favored Glycine 0 C--N 1.347 1.165 0 O-C-N 123.452 0.47 . . . . 72.140000000000001 114.065 173.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -77.67 141.13 39.58 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.871 -0.418 . . . . 74.099999999999994 109.871 171.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -87.47 113.59 23.31 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.398 -0.964 . . . . 64.430000000000007 108.398 173.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.484 HG11 ' HG2' ' A' ' 19' ' ' LYS . 42.0 t -86.61 140.34 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.597 -0.519 . . . . 72.400000000000006 109.597 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -120.0 138.56 53.42 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.786 0.834 . . . . 75.519999999999996 108.924 172.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -105.29 112.04 25.0 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 107.887 -1.153 . . . . 60.299999999999997 107.887 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 58' ' ' SER . 97.9 t -106.64 120.58 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.92 -0.77 . . . . 72.430000000000007 108.92 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -108.41 -60.19 1.76 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.766 0.826 . . . . 70.0 109.877 -178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -94.23 167.78 11.33 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.328 1.051 . . . . 71.310000000000002 111.645 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.1 m -66.68 -29.92 70.04 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.149 -0.932 . . . . 63.310000000000002 110.162 167.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.449 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 32.7 t70 -61.12 -53.09 61.41 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.504 0.722 . . . . 75.329999999999998 109.637 170.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.71 -33.81 66.84 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.841 0.857 . . . . 75.439999999999998 112.074 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.41 -61.81 2.19 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.334 -0.848 . . . . 73.230000000000004 110.596 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.578 ' HA ' ' HB2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -70.82 -25.59 62.92 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 112.963 0.727 . . . . 73.310000000000002 112.963 -171.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -52.78 -52.67 55.77 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.93 0.871 . . . . 72.329999999999998 109.901 171.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 35.6 mm-40 -84.41 -15.88 44.68 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 114.331 -1.304 . . . . 75.099999999999994 112.51 -178.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.744 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -65.69 -33.45 75.91 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 118.108 0.413 . . . . 73.150000000000006 111.376 172.074 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.93 -40.18 75.88 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.337 0.398 . . . . 74.310000000000002 110.526 168.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -65.8 -52.61 49.29 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.394 0.616 . . . . 70.019999999999996 109.934 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.5 HD22 HD21 ' A' ' 4' ' ' LEU . 72.4 mt -68.0 -20.76 65.05 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 115.529 -0.759 . . . . 64.239999999999995 111.916 -173.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.43 -51.46 6.2 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.001 0.52 . . . . 61.109999999999999 111.872 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -81.3 -50.85 9.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.486 0.714 . . . . 72.430000000000007 111.552 -173.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -71.53 113.64 8.77 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.607 -0.516 . . . . 71.200000000000003 109.607 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -114.29 -4.91 12.97 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.343 0.657 . . . . 72.329999999999998 111.484 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -64.86 150.68 47.26 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.886 0.474 . . . . 74.409999999999997 110.619 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.76 98.46 0.19 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 123.815 0.697 . . . . 75.120000000000005 110.753 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -127.46 137.55 52.72 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.59 -0.732 . . . . 61.149999999999999 109.466 173.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.585 ' HG2' HD12 ' A' ' 3' ' ' ILE . 26.9 mtmm -90.8 101.8 14.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.688 -1.142 . . . . 74.340000000000003 108.074 178.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.4 mt -116.08 128.81 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.141 0.577 . . . . 74.120000000000005 110.191 -174.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.651 HD13 HG11 ' A' ' 22' ' ' VAL . 14.4 tp -102.11 108.28 19.64 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 107.788 -1.19 . . . . 61.240000000000002 107.788 168.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.469 ' HB ' HD23 ' A' ' 6' ' ' LEU . 23.1 mm -92.08 120.55 41.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 108.805 -0.813 . . . . 61.140000000000001 108.805 174.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -103.86 139.95 38.34 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.098 0.959 . . . . 71.099999999999994 108.617 173.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.524 ' HB2' ' HB ' ' A' ' 32' ' ' VAL . 44.3 t -164.6 137.37 4.79 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.866 0.729 . . . . 54.340000000000003 109.65 173.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -80.66 -34.9 34.48 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.301 1.04 . . . . 71.329999999999998 111.544 -176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -87.55 104.8 16.83 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.014 -0.539 . . . . 73.140000000000001 109.93 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.575 ' HA ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -57.65 -20.6 34.61 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.499 0.72 . . . . 71.129999999999995 112.676 -178.662 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -58.15 -50.78 72.3 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 123.118 0.567 . . . . 54.509999999999998 109.808 174.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.56 -40.46 87.39 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.375 1.07 . . . . 65.319999999999993 111.557 -175.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.648 HD23 ' HB3' ' A' ' 6' ' ' LEU . 6.0 mp -66.0 -39.78 90.57 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 116.156 -0.475 . . . . 72.219999999999999 110.531 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 57.4 tttp -67.94 -47.86 67.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.745 0.418 . . . . 75.230000000000004 110.743 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -60.26 -30.37 69.39 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.981 0.912 . . . . 64.239999999999995 111.13 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.744 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 34.1 ttm -64.88 -49.31 70.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 114.829 -1.078 . . . . 74.099999999999994 109.936 174.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.477 HD23 HD12 ' A' ' 71' ' ' ILE . 95.8 mt -67.59 -24.23 65.47 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.506 1.122 . . . . 75.299999999999997 112.496 -176.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 17.4 mm-40 -60.62 -38.08 83.55 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.137 0.575 . . . . 72.109999999999999 110.347 176.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.688 HD12 ' SD ' ' A' ' 42' ' ' MET . 60.1 mt -80.89 -41.83 22.45 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.397 -0.82 . . . . 72.129999999999995 110.442 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.623 ' HA ' HD12 ' A' ' 74' ' ' LEU . 68.7 mt -60.77 -33.11 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 124.133 0.973 . . . . 64.519999999999996 112.374 -175.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.9 p -49.73 -54.35 19.4 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.467 1.107 . . . . 72.010000000000005 112.424 -175.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -86.39 -8.42 57.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.854 -0.612 . . . . 75.540000000000006 112.093 -176.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 71' ' ' ILE . 87.7 mt -69.49 -48.05 61.89 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 108.603 -0.888 . . . . 74.420000000000002 108.603 168.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.01 77.02 1.26 Allowed Glycine 0 C--N 1.347 1.146 0 CA-C-N 115.166 -0.925 . . . . 71.400000000000006 113.943 171.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -156.7 160.13 39.03 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.868 0.867 . . . . 63.119999999999997 109.495 169.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -75.46 122.49 23.91 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 115.484 -0.78 . . . . 71.329999999999998 110.924 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.55 HG21 HG21 ' A' ' 71' ' ' ILE . 60.7 t -124.31 143.56 37.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 123.501 0.721 . . . . 44.0 109.241 173.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -109.56 161.1 15.68 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.318 1.447 . . . . 65.099999999999994 108.187 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.4 tp -148.61 132.39 16.98 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.039 0.535 . . . . 71.349999999999994 110.354 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.533 HD21 ' HB1' ' A' ' 113' ' ' ALA . 35.2 tp -114.74 123.36 49.06 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.084 0.953 . . . . 73.209999999999994 109.218 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.554 ' HB3' HD22 ' A' ' 90' ' ' LEU . 97.0 mt -112.0 114.37 27.22 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.127 0.971 . . . . 65.329999999999998 108.543 176.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.1 110.77 10.93 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 118.133 0.424 . . . . 65.010000000000005 110.807 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.491 ' HB3' HD11 ' A' ' 90' ' ' LEU . 17.0 t0 -165.79 152.55 9.85 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.778 0.831 . . . . 62.149999999999999 109.079 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.29 -30.57 71.44 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.826 1.25 . . . . 75.219999999999999 110.967 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -82.63 81.14 8.54 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.175 -1.417 . . . . 74.439999999999998 107.175 167.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.74 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 8.1 pt-20 -75.48 -17.31 60.16 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 114.893 -1.049 . . . . 71.530000000000001 111.367 -178.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.435 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 2.8 t-20 -62.44 -54.49 39.35 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.987 0.805 . . . . 52.140000000000001 110.356 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -61.68 -37.64 84.86 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.734 0.814 . . . . 64.420000000000002 110.633 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 82' ' ' LEU . 78.8 mt -64.03 -42.04 97.22 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.34 -0.845 . . . . 62.140000000000001 110.743 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.617 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 32.9 tt0 -69.78 -32.79 71.47 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.747 0.654 . . . . 74.299999999999997 110.68 -174.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 88' ' ' ASN . 10.1 mm-40 -67.81 -54.54 18.29 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.73 -0.841 . . . . 74.430000000000007 108.73 173.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -58.12 -40.56 81.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.299 1.039 . . . . 63.119999999999997 112.549 -174.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -67.92 -28.84 67.83 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.767 0.427 . . . . 74.420000000000002 111.252 -176.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -64.46 -38.22 90.27 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 110.125 -0.324 . . . . 72.329999999999998 110.125 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 4.1 mptp? -62.32 -51.49 67.46 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.56 -0.534 . . . . 71.310000000000002 109.56 175.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.434 HD12 HD12 ' A' ' 68' ' ' LEU . 46.0 mm -63.98 -34.08 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.89 0.876 . . . . 71.109999999999999 111.475 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -73.75 -31.8 63.52 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.474 0.71 . . . . 50.350000000000001 109.711 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.0 m -79.57 -15.65 57.31 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.558 0.743 . . . . 75.430000000000007 111.18 174.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 29.3 mt-30 -83.22 -12.44 56.83 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.602 0.761 . . . . 75.319999999999993 110.191 171.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.3 46.49 3.27 Favored Glycine 0 C--N 1.354 1.536 0 O-C-N 123.781 0.676 . . . . 75.310000000000002 112.773 172.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -134.77 152.45 51.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.296 0.638 . . . . 74.129999999999995 110.695 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 71.6 tt0 -80.74 102.36 9.88 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 108.838 -0.801 . . . . 75.450000000000003 108.838 176.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.4 p -121.65 126.75 75.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 C-N-CA 123.234 0.614 . . . . 23.449999999999999 109.877 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -113.75 140.12 48.54 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.208 0.603 . . . . 73.439999999999998 109.608 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.74 ' HE2' ' HB2' ' A' ' 87' ' ' GLU . 11.8 tmtt? -112.03 115.32 28.73 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.764 1.225 . . . . 52.439999999999998 108.31 -176.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 23.1 m -135.74 -177.79 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 124.878 1.271 . . . . 73.109999999999999 109.231 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.7 p -135.82 -44.49 0.66 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.703 0.801 . . . . 75.150000000000006 111.025 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -91.16 166.86 12.74 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 113.038 0.755 . . . . 72.209999999999994 113.038 -171.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.2 -58.68 3.5 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 113.991 -1.458 . . . . 61.420000000000002 110.892 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -63.49 -28.92 70.29 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.349 0.66 . . . . 70.099999999999994 111.807 -176.323 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -69.8 -46.79 64.93 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.455 1.102 . . . . 74.420000000000002 110.527 175.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.533 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -62.06 -41.19 97.89 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.226 -0.897 . . . . 71.329999999999998 111.535 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.7 mt -60.99 -33.94 74.02 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.897 0.879 . . . . 74.409999999999997 111.836 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 119' ' ' GLU . 61.7 mttp -60.62 -50.98 71.33 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 123.602 0.564 . . . . 60.030000000000001 109.719 173.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.5 mm -68.43 -34.47 65.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.381 -1.282 . . . . 74.150000000000006 112.05 -170.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 113' ' ' ALA . 97.9 t -57.11 -48.45 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.416 -0.587 . . . . 71.109999999999999 109.416 174.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.514 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 38.4 mtt180 -65.49 -34.68 78.83 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.059 -0.973 . . . . 63.210000000000001 111.349 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 115' ' ' LYS . 7.7 mm-40 -62.81 -46.21 89.0 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.047 0.539 . . . . 70.450000000000003 110.344 175.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.409 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 16.1 m-30 -57.35 -40.47 78.13 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.586 -0.734 . . . . 71.450000000000003 111.479 176.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 84.6 mtp -68.09 -23.08 64.89 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.009 0.923 . . . . 70.129999999999995 111.578 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 78.1 mm-40 -74.68 -51.84 13.26 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.035 0.534 . . . . 74.030000000000001 110.563 176.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -29.75 70.58 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.552 -0.749 . . . . 53.020000000000003 109.926 178.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -70.34 -39.17 74.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.976 0.91 . . . . 71.099999999999994 110.138 176.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.76 -21.48 71.17 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 115.645 -0.707 . . . . 73.319999999999993 112.815 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.8 m -79.24 -20.28 48.57 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.614 0.765 . . . . 51.119999999999997 111.215 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.505 HD12 HG12 ' A' ' 3' ' ' ILE . 69.8 mt -69.78 -22.48 63.33 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.46 0.704 . . . . 75.299999999999997 111.27 176.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.77 -39.64 85.54 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.203 1.001 . . . . 75.329999999999998 110.77 174.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 54.3 m80 57.27 27.18 13.28 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.458 1.103 . . . . 72.040000000000006 112.719 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -140.24 14.96 2.42 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.796 1.238 . . . . 64.540000000000006 108.598 172.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -74.86 -1.52 22.67 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.918 0.887 . . . . 75.5 112.699 -166.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -160.26 -43.7 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.941 1.296 . . . . 74.450000000000003 107.518 175.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -163.74 169.69 18.04 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 114.274 -1.33 . . . . 71.319999999999993 108.645 167.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.249 1.043 0 N-CA-C 109.121 -0.696 . . . . 74.439999999999998 109.121 172.579 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.916 -0.402 . . . . 60.149999999999999 109.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -111.94 149.41 31.96 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.354 0.661 . . . . 74.109999999999999 109.807 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.499 HG21 ' HB1' ' A' ' 124' ' ' ALA . 63.0 mt -115.97 125.45 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.727 0.811 . . . . 71.540000000000006 109.282 -179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.504 HD11 HD22 ' A' ' 45' ' ' LEU . 10.6 mp -124.38 138.25 54.39 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.223 0.609 . . . . 73.310000000000002 109.607 172.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 51.9 mt -122.38 111.96 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 107.437 -1.319 . . . . 74.030000000000001 107.437 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.434 HD21 ' SD ' ' A' ' 67' ' ' MET . 79.2 mt -86.51 134.69 33.65 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.541 0.736 . . . . 53.439999999999998 109.211 -177.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.7 mm -123.52 122.26 64.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 N-CA-C 108.229 -1.026 . . . . 64.420000000000002 108.229 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -132.09 103.96 6.55 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.308 -0.997 . . . . 73.540000000000006 108.308 171.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.7 t -128.43 143.78 51.04 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 123.363 0.665 . . . . 70.329999999999998 110.179 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -80.92 -15.67 55.65 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.276 -0.875 . . . . 73.299999999999997 111.129 -175.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -108.12 127.7 54.03 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 108.99 -0.745 . . . . 75.409999999999997 108.99 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.41 -23.08 61.04 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.555 1.142 . . . . 53.329999999999998 111.788 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -60.73 -43.72 97.55 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.173 0.989 . . . . 64.409999999999997 110.609 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 110' ' ' ASP . 36.3 tp -64.13 -40.67 96.67 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 114.844 -1.071 . . . . 73.420000000000002 111.485 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.517 HD13 ' HE2' ' A' ' 57' ' ' LYS . 82.2 mt -52.61 -49.73 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.766 0.827 . . . . 73.439999999999998 110.703 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -56.82 -41.33 77.63 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.574 1.171 . . . . 72.140000000000001 111.215 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 44.5 mtpt -71.41 -44.07 65.6 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 115.263 -0.88 . . . . 74.319999999999993 110.872 -177.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.2 mt -59.55 -40.1 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 C-N-CA 123.79 0.836 . . . . 74.209999999999994 110.178 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -58.95 -48.86 80.02 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.17 -0.923 . . . . 74.409999999999997 110.341 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -63.49 -36.53 84.07 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.433 0.293 . . . . 74.209999999999994 111.74 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 8.4 mm-40 -56.69 -50.76 71.18 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.556 0.743 . . . . 74.109999999999999 110.755 174.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.613 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 11.6 m -81.48 -22.71 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 115.181 -0.918 . . . . 74.439999999999998 112.072 -174.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -72.34 -39.21 68.31 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 123.417 0.687 . . . . 61.32 110.413 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -67.05 -14.38 62.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.881 0.473 . . . . 63.130000000000003 111.208 172.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -113.56 8.65 17.77 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.756 0.822 . . . . 75.409999999999997 111.626 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 37.07 56.2 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 115.423 0.929 . . . . 65.230000000000004 115.423 168.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.613 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 6.0 m-85 -95.09 139.89 30.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.559 0.744 . . . . 72.219999999999999 109.848 174.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -88.38 112.55 23.02 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.936 0.894 . . . . 72.140000000000001 109.708 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.8 t -85.76 132.13 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 109.173 -0.677 . . . . 73.209999999999994 109.173 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.559 HH11 HG22 ' A' ' 32' ' ' VAL . 2.8 tmt_? -127.93 121.81 30.85 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.668 0.787 . . . . 73.219999999999999 109.407 175.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -80.8 137.36 36.22 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 125.013 1.325 . . . . 63.539999999999999 110.906 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.559 HG22 HH11 ' A' ' 30' ' ' ARG . 21.6 t -132.38 115.05 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.963 0.905 . . . . 71.209999999999994 109.541 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -110.47 -54.03 2.63 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.761 0.424 . . . . 65.340000000000003 110.649 176.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -88.86 157.99 18.26 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.232 0.613 . . . . 70.519999999999996 111.698 -171.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.6 m -64.1 -32.52 74.11 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.228 1.011 . . . . 62.43 109.967 167.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 20.1 t70 -64.73 -43.35 93.69 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 114.654 -1.157 . . . . 65.120000000000005 109.752 174.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -70.14 -26.68 64.05 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.497 0.319 . . . . 64.400000000000006 111.776 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.512 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 56.3 tp -61.42 -55.36 32.22 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 123.579 0.549 . . . . 73.310000000000002 109.846 173.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 1.6 pptp? -65.68 -31.95 73.24 Favored 'General case' 0 CA--C 1.55 0.975 0 O-C-N 122.415 -0.178 . . . . 72.510000000000005 111.368 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -50.57 -48.71 57.44 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.028 0.931 . . . . 74.420000000000002 111.007 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 6.8 pt-20 -78.21 -36.61 46.98 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.629 -0.714 . . . . 61.420000000000002 109.979 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.523 ' SD ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -54.9 -43.13 72.96 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.529 0.731 . . . . 72.129999999999995 112.518 -175.224 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 4.8 mptp? -61.41 -43.55 98.68 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.665 0.603 . . . . 72.340000000000003 110.036 174.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -68.21 -32.51 72.77 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.76 0.824 . . . . 75.019999999999996 111.981 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.2 mt -75.05 -36.77 61.81 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.526 0.73 . . . . 74.099999999999994 110.123 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.71 -48.74 63.08 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.002 -0.999 . . . . 44.409999999999997 111.321 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -78.12 -65.72 0.94 Allowed 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.622 0.577 . . . . 61.340000000000003 110.351 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -77.71 87.58 3.98 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.21 -1.033 . . . . 74.129999999999995 108.21 175.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -91.67 13.37 18.24 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.664 -1.153 . . . . 74.120000000000005 109.742 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -51.71 135.89 28.3 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 125.177 1.391 . . . . 62.039999999999999 110.504 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -60.98 102.82 0.22 Allowed 'General case' 0 C--O 1.238 0.474 0 O-C-N 124.423 1.077 . . . . 61.329999999999998 109.52 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -141.29 132.94 27.14 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.346 -0.843 . . . . 64.319999999999993 109.408 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HB2' ' HZ2' ' A' ' 53' ' ' LYS . 7.9 mtmp? -91.77 84.55 5.43 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 124.591 1.182 . . . . 73.150000000000006 108.93 -178.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.2 mt -95.91 129.4 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 122.403 0.281 . . . . 73.209999999999994 110.719 -176.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.549 HD22 HG21 ' A' ' 22' ' ' VAL . 16.0 tp -97.68 114.9 26.97 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.505 -1.294 . . . . 64.530000000000001 107.505 167.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.42 ' HB ' HD23 ' A' ' 6' ' ' LEU . 44.9 mm -90.9 114.96 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 109.252 -0.648 . . . . 73.109999999999999 109.252 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.517 ' HE2' HD13 ' A' ' 15' ' ' ILE . 14.3 tmtt? -94.11 123.85 37.75 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.212 1.005 . . . . 72.430000000000007 108.632 174.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.575 ' HB3' HD11 ' A' ' 64' ' ' LEU . 35.7 t -151.63 173.81 14.22 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.318 0.647 . . . . 75.219999999999999 109.9 175.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -136.49 10.22 3.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.095 0.958 . . . . 63.420000000000002 111.211 -174.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -127.5 109.18 11.47 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.906 -0.776 . . . . 52.240000000000002 108.906 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -52.62 -35.95 55.51 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.696 1.199 . . . . 74.340000000000003 112.701 -177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -71.7 -39.78 69.94 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 118.961 -0.542 . . . . 74.400000000000006 110.069 -170.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.2 mt -53.84 -41.25 67.22 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 123.803 0.689 . . . . 44.210000000000001 110.924 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.575 HD11 ' HB3' ' A' ' 58' ' ' SER . 9.2 mp -69.17 -43.92 73.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.534 -0.757 . . . . 71.109999999999999 111.258 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 20.6 ttpp -66.22 -44.7 83.07 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.64 0.376 . . . . 75.219999999999999 109.997 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.61 -31.25 72.18 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.0 1.32 . . . . 63.350000000000001 111.434 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.509 ' HB2' HD11 ' A' ' 38' ' ' LEU . 47.9 ttm -63.44 -46.72 84.98 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 108.737 -0.838 . . . . 45.32 108.737 174.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 71' ' ' ILE . 77.9 mt -71.99 -20.42 61.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.337 1.055 . . . . 62.32 112.261 -176.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 69.1 mm-40 -65.96 -35.74 81.42 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 109.656 -0.498 . . . . 71.319999999999993 109.656 170.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.523 HD12 ' SD ' ' A' ' 42' ' ' MET . 34.1 mt -86.17 -30.8 22.18 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.886 -0.597 . . . . 73.230000000000004 111.567 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.499 HD12 HD23 ' A' ' 68' ' ' LEU . 64.5 mt -71.44 -29.24 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 123.074 0.549 . . . . 60.43 110.548 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.1 p -62.15 -31.04 71.48 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.977 0.511 . . . . 42.200000000000003 111.19 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -65.4 -42.51 92.52 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.675 0.79 . . . . 75.450000000000003 110.311 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.0 mt -73.17 -38.41 66.19 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.495 -1.229 . . . . 60.299999999999997 110.792 -177.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.89 48.0 51.34 Favored Glycine 0 CA--C 1.523 0.563 0 CA-C-N 115.42 -0.809 . . . . 62.509999999999998 114.079 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.4 ' CE1' HD13 ' A' ' 4' ' ' LEU . 44.1 p90 -111.04 168.45 9.49 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 117.477 0.639 . . . . 71.319999999999993 109.834 165.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -94.79 128.04 41.23 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.689 0.796 . . . . 74.5 110.619 -170.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 49.5 t -123.67 147.72 27.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.78 1.232 . . . . 73.329999999999998 109.806 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -121.12 123.67 42.88 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.08 1.352 . . . . 73.319999999999993 108.352 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.406 HD23 HG13 ' A' ' 97' ' ' ILE . 27.2 tp -115.87 131.71 56.86 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 118.758 0.708 . . . . 71.310000000000002 111.078 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.456 HD21 ' HB1' ' A' ' 113' ' ' ALA . 33.4 tp -114.99 126.28 54.58 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.972 0.909 . . . . 74.239999999999995 109.458 173.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.443 ' HB3' HD13 ' A' ' 90' ' ' LEU . 91.5 mt -113.32 123.15 49.45 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.702 1.201 . . . . 74.319999999999993 108.732 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -139.75 111.57 7.36 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.802 0.441 . . . . 32.229999999999997 110.906 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.449 ' HB3' HD11 ' A' ' 90' ' ' LEU . 16.8 t0 -165.24 156.89 14.86 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.289 0.636 . . . . 71.230000000000004 109.44 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.43 -37.59 86.43 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.226 1.01 . . . . 63.240000000000002 110.168 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -88.59 60.35 5.57 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 123.002 1.382 . . . . 74.230000000000004 108.66 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.516 ' HB2' ' HD2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -71.58 -15.1 62.26 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 114.269 -1.332 . . . . 73.099999999999994 112.06 179.739 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -59.44 -43.49 93.1 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.644 0.777 . . . . 74.040000000000006 110.98 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.39 -29.19 62.45 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.171 0.588 . . . . 73.109999999999999 111.114 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 84' ' ' ASP . 92.8 mt -70.86 -25.25 62.73 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.34 0.656 . . . . 65.219999999999999 110.842 173.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.42 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 18.5 tp10 -71.94 -25.87 62.06 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 123.573 0.749 . . . . 75.430000000000007 109.941 176.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -82.06 -47.68 12.31 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.296 0.638 . . . . 75.340000000000003 110.465 171.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.431 ' O ' HG12 ' A' ' 97' ' ' ILE . 70.8 t80 -57.54 -42.6 83.24 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.362 1.065 . . . . 65.099999999999994 111.401 -173.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 91' ' ' GLU . 19.2 ptpt -57.33 -33.3 67.58 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.754 0.822 . . . . 64.430000000000007 111.958 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -74.6 -22.68 58.82 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.492 0.717 . . . . 75.430000000000007 111.014 -172.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -36.12 49.28 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.888 0.875 . . . . 70.319999999999993 109.229 174.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.486 HG23 HD13 ' A' ' 68' ' ' LEU . 40.4 mm -74.55 -37.01 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.047 0.939 . . . . 70.329999999999998 110.663 -176.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -70.13 -31.87 69.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 114.645 -1.161 . . . . 61.109999999999999 108.755 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -68.55 -36.94 79.47 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.678 0.791 . . . . 51.350000000000001 110.293 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -67.61 -24.93 65.53 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.373 0.669 . . . . 64.040000000000006 110.543 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.31 35.65 3.07 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.248 -0.433 . . . . 42.109999999999999 113.132 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -120.91 148.11 44.51 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.993 0.517 . . . . 74.310000000000002 110.508 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -74.09 123.46 24.45 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 108.441 -0.948 . . . . 64.120000000000005 108.441 175.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.3 p -138.08 143.77 32.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 O-C-N 123.917 0.76 . . . . 65.340000000000003 109.815 -175.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -138.3 158.11 44.94 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.232 1.013 . . . . 75.319999999999993 109.768 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.516 ' HD2' ' HB2' ' A' ' 87' ' ' GLU . 34.0 ttpt -125.5 141.68 51.91 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.055 -1.429 . . . . 75.200000000000003 108.707 177.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.4 m -144.39 169.86 8.72 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 C-N-CA 124.851 1.26 . . . . 74.420000000000002 109.486 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 72.8 p -129.13 -36.06 1.77 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.329 1.052 . . . . 73.140000000000001 109.985 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -95.58 155.83 16.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.18 0.592 . . . . 74.319999999999993 110.854 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 17.9 p-10 -72.99 -50.15 24.88 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.85 -1.068 . . . . 75.409999999999997 111.595 -175.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -67.46 -31.46 71.63 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.067 0.461 . . . . 51.210000000000001 110.41 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.498 ' O ' HG12 ' A' ' 116' ' ' ILE . 43.6 tt0 -62.99 -45.73 91.02 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.308 1.043 . . . . 72.319999999999993 109.915 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -61.14 -45.98 92.43 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.556 -0.747 . . . . 41.409999999999997 111.438 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 110' ' ' ASP . 80.2 mt -58.14 -38.22 76.14 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.017 0.927 . . . . 62.420000000000002 110.896 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 115' ' ' LYS . 37.8 ttmt -66.68 -39.26 88.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.199 1.4 . . . . 73.310000000000002 110.554 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 112' ' ' GLU . 42.5 mm -75.29 -33.33 27.83 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 123.359 0.664 . . . . 71.230000000000004 110.991 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 113' ' ' ALA . 87.7 t -56.95 -48.33 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 N-CA-C 109.249 -0.649 . . . . 61.049999999999997 109.249 172.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 60.7 mtt180 -59.04 -38.38 79.19 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.161 0.913 . . . . 74.239999999999995 110.938 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -59.84 -55.52 33.17 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 123.739 0.65 . . . . 72.409999999999997 110.665 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.407 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 17.9 m-85 -51.9 -40.18 60.26 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.156 0.982 . . . . 71.510000000000005 112.224 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 78.4 mtp -67.94 -23.94 65.13 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.441 1.096 . . . . 72.319999999999993 112.501 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 118' ' ' ARG . 66.1 mt-30 -71.89 -46.08 59.01 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.53 0.732 . . . . 63.399999999999999 110.361 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -29.17 62.46 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.416 -0.811 . . . . 73.129999999999995 109.779 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.499 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -65.18 -46.13 82.02 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.986 0.803 . . . . 75.329999999999998 110.16 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -63.77 -38.6 96.41 Favored Glycine 0 C--N 1.347 1.18 0 CA-C-N 115.517 -0.765 . . . . 74.030000000000001 112.941 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 79.7 p -70.49 -17.34 62.96 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.598 0.592 . . . . 70.420000000000002 112.598 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.3 mt -54.49 -27.01 34.86 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 113.723 1.008 . . . . 75.0 113.723 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -74.69 -14.1 60.7 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-O 121.134 0.492 . . . . 75.409999999999997 111.961 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -109.03 -58.35 2.03 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 108.99 -0.745 . . . . 71.319999999999993 108.99 172.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -70.46 77.73 0.56 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.603 1.161 . . . . 73.530000000000001 109.139 172.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -73.09 138.28 45.74 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.61 0.764 . . . . 73.230000000000004 110.092 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -72.44 -27.96 62.65 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.051 0.94 . . . . 74.230000000000004 111.105 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -107.11 135.42 48.69 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.393 0.677 . . . . 71.150000000000006 110.48 175.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 38.6 m80 . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 108.321 -0.992 . . . . 64.5 108.321 173.068 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.012 -0.366 . . . . 60.109999999999999 110.012 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -137.5 161.07 37.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.675 1.19 . . . . 61.240000000000002 108.117 169.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.568 HD13 ' HB1' ' A' ' 124' ' ' ALA . 66.9 mt -119.02 103.67 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.083 -1.08 . . . . 71.209999999999994 108.083 174.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.413 ' HB2' HG22 ' A' ' 78' ' ' VAL . 10.9 mp -103.54 141.98 35.08 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.3 -0.629 . . . . 72.219999999999999 109.3 175.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.9 mt -119.81 113.69 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 107.149 -1.426 . . . . 74.140000000000001 107.149 169.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.656 ' HB3' HD23 ' A' ' 64' ' ' LEU . 93.2 mt -88.88 125.93 35.15 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.625 -0.88 . . . . 74.019999999999996 108.625 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -115.11 116.08 51.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 108.575 -0.898 . . . . 73.25 108.575 176.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -124.41 102.14 7.51 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 106.954 -1.498 . . . . 63.020000000000003 106.954 171.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.488 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 7.7 t -130.41 144.24 51.27 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.525 -0.762 . . . . 74.400000000000006 109.291 173.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -78.16 -21.1 50.75 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.531 -0.759 . . . . 52.219999999999999 110.596 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -102.98 109.9 21.62 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.463 0.649 . . . . 74.209999999999994 109.918 171.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.75 -22.13 66.57 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.548 1.139 . . . . 74.420000000000002 111.505 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.24 -40.09 64.32 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.779 1.231 . . . . 75.329999999999998 111.963 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 tp -64.37 -36.72 85.05 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 114.833 -1.076 . . . . 64.209999999999994 111.329 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.486 HD13 ' HG2' ' A' ' 57' ' ' LYS . 54.7 mt -66.79 -29.22 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.378 0.671 . . . . 61.119999999999997 111.179 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -58.96 -31.56 68.83 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.501 0.667 . . . . 63.530000000000001 110.349 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 93.5 mttt -81.37 -52.1 7.64 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.316 -1.311 . . . . 74.349999999999994 110.144 175.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.29 -38.07 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 C-N-CA 124.182 0.993 . . . . 73.400000000000006 112.819 -173.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HE3' HG11 ' A' ' 29' ' ' VAL . 57.4 mtpt -61.6 -47.64 84.54 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.211 0.604 . . . . 72.239999999999995 109.59 176.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -64.45 -34.09 77.4 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.722 0.639 . . . . 72.150000000000006 111.637 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 14.0 mm-40 -61.0 -51.56 68.7 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 123.767 0.667 . . . . 33.340000000000003 110.351 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.616 HG11 HD13 ' A' ' 55' ' ' LEU . 23.3 m -74.88 -22.62 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 115.981 -0.554 . . . . 73.239999999999995 111.978 -176.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.4 -30.18 71.03 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.106 0.562 . . . . 70.230000000000004 111.424 174.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -63.74 -33.87 76.62 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.646 0.379 . . . . 63.420000000000002 111.202 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -89.57 -2.13 58.24 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.55 0.74 . . . . 55.25 111.709 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.71 38.2 43.48 Favored Glycine 0 C--N 1.344 1.007 0 O-C-N 123.022 0.202 . . . . 72.430000000000007 113.1 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -78.98 140.76 37.94 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.117 0.484 . . . . 73.239999999999995 110.285 171.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -78.92 112.48 16.13 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.773 -1.195 . . . . 62.549999999999997 107.773 168.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.51 HG11 ' HE3' ' A' ' 19' ' ' LYS . 38.4 t -93.43 118.12 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.532 -0.544 . . . . 64.409999999999997 109.532 -177.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -114.02 128.35 56.35 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.193 1.397 . . . . 65.439999999999998 109.403 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -104.94 112.69 25.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.971 0.908 . . . . 71.019999999999996 108.746 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -87.06 114.39 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.484 0.714 . . . . 72.450000000000003 109.565 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.448 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 31.1 m-80 -94.42 -17.43 22.5 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.65 0.78 . . . . 64.420000000000002 112.511 -174.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -164.46 174.45 10.95 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 117.822 0.283 . . . . 72.439999999999998 111.404 -170.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.0 p -68.73 -34.15 75.13 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.906 0.882 . . . . 71.010000000000005 111.017 173.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -45.13 95.32 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 122.952 0.501 . . . . 71.099999999999994 110.077 172.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 8.5 mm-40 -54.46 -46.91 73.44 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 123.934 0.771 . . . . 61.32 110.867 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 50.4 tp -56.01 -58.23 8.79 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 124.89 1.369 . . . . 63.109999999999999 111.689 -178.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -36.88 84.61 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 119.463 -0.303 . . . . 70.129999999999995 110.731 -175.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -55.3 -50.5 69.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.537 0.735 . . . . 72.310000000000002 111.453 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 9.2 pt-20 -73.57 -27.71 61.46 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.492 0.495 . . . . 73.200000000000003 110.744 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.467 ' HE3' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -62.01 -40.01 94.23 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.814 0.446 . . . . 75.109999999999999 111.447 177.004 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -60.2 -37.46 80.35 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.749 0.419 . . . . 75.120000000000005 110.312 173.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 11.2 mmpt? -71.57 -36.78 71.01 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.379 0.672 . . . . 62.539999999999999 110.91 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 71.3 mt -75.23 -22.51 57.86 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.89 0.476 . . . . 72.540000000000006 110.932 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.74 -50.02 7.06 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.577 0.751 . . . . 42.340000000000003 112.54 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -82.33 -52.54 6.82 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.555 0.742 . . . . 62.420000000000002 111.247 -172.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -74.05 97.51 2.89 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.791 -1.189 . . . . 74.230000000000004 107.791 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -85.78 25.32 1.11 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.194 0.997 . . . . 63.329999999999998 112.277 -171.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -68.24 139.07 56.0 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.297 0.639 . . . . 72.530000000000001 110.444 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -73.55 106.17 5.21 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 108.254 -1.017 . . . . 73.329999999999998 108.254 169.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -129.2 139.65 51.79 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.079 0.466 . . . . 64.120000000000005 110.195 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -93.47 113.45 25.6 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.988 -1.486 . . . . 72.430000000000007 106.988 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.1 mt -124.49 130.52 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.139 0.576 . . . . 65.239999999999995 110.916 -173.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.616 HD13 HG11 ' A' ' 22' ' ' VAL . 21.2 tp -90.63 140.71 29.5 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.328 -0.99 . . . . 74.150000000000006 108.328 166.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.3 mm -117.19 121.78 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 123.357 0.663 . . . . 73.549999999999997 109.519 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' HG2' HD13 ' A' ' 15' ' ' ILE . 6.9 tmtm? -98.98 116.07 30.37 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.404 1.082 . . . . 62.119999999999997 108.125 173.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -157.33 168.94 25.9 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.271 0.628 . . . . 61.240000000000002 109.522 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -134.24 -29.17 1.26 Allowed 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.831 0.853 . . . . 61.240000000000002 109.976 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.51 98.41 1.45 Allowed 'General case' 0 C--N 1.348 0.512 0 C-N-CA 122.601 0.36 . . . . 74.140000000000001 110.198 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -48.53 -30.12 4.91 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.168 1.387 . . . . 72.349999999999994 113.311 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -59.33 -49.07 79.24 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.5 0.72 . . . . 62.350000000000001 109.363 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.8 mt -61.06 -41.8 97.29 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.714 0.806 . . . . 53.310000000000002 112.07 -175.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.656 HD23 ' HB3' ' A' ' 6' ' ' LEU . 6.3 mp -68.83 -39.57 79.9 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.516 0.51 . . . . 72.040000000000006 110.994 -176.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 61.0 tttm -71.14 -45.73 62.98 Favored 'General case' 0 C--N 1.349 0.546 0 N-CA-C 109.639 -0.504 . . . . 73.510000000000005 109.639 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -61.12 -29.63 69.88 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.968 0.907 . . . . 74.140000000000001 111.552 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.462 ' SD ' HD21 ' A' ' 6' ' ' LEU . 49.7 ttm -65.0 -48.75 72.83 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.937 -0.764 . . . . 75.409999999999997 108.937 173.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.423 HD13 HG23 ' A' ' 97' ' ' ILE . 88.6 mt -69.53 -23.66 63.62 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.109 0.964 . . . . 55.420000000000002 112.818 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 16.0 mm-40 -64.05 -41.01 97.53 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 109.226 -0.657 . . . . 74.420000000000002 109.226 173.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.7 mt -82.84 -32.68 27.38 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.148 -0.933 . . . . 44.420000000000002 110.856 -177.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.611 HD13 HG21 ' A' ' 78' ' ' VAL . 73.6 mt -68.6 -32.89 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.631 0.773 . . . . 75.329999999999998 110.563 177.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -62.91 -24.29 67.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.907 0.483 . . . . 74.140000000000001 111.084 176.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -80.64 -39.89 26.54 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.242 0.617 . . . . 74.299999999999997 109.771 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.5 -30.76 66.33 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.8 0.84 . . . . 71.439999999999998 112.222 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.53 74.0 0.85 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.859 -0.609 . . . . 62.200000000000003 113.427 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -154.2 157.01 38.16 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.016 0.526 . . . . 65.299999999999997 110.776 167.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 127' ' ' LEU . 3.1 tmtm? -84.79 130.48 34.67 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 115.435 -0.802 . . . . 73.430000000000007 109.365 -172.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.611 HG21 HD13 ' A' ' 71' ' ' ILE . 94.7 t -127.45 142.57 43.24 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 C-N-CA 124.191 0.996 . . . . 70.209999999999994 109.482 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -97.83 160.66 14.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.614 1.165 . . . . 71.420000000000002 109.255 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.8 tp -147.0 141.74 26.75 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.482 0.713 . . . . 72.040000000000006 109.395 177.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.494 HD13 HG21 ' A' ' 116' ' ' ILE . 50.8 tp -132.0 120.02 21.86 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.144 0.978 . . . . 73.109999999999999 108.972 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.496 ' HB3' HD22 ' A' ' 90' ' ' LEU . 89.3 mt -110.97 104.75 13.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.499 1.12 . . . . 74.510000000000005 108.724 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.488 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -115.3 111.82 21.47 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 123.148 0.579 . . . . 34.219999999999999 111.26 -175.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.463 ' HB3' HD11 ' A' ' 90' ' ' LEU . 38.2 t70 -168.69 158.02 8.89 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.086 -0.961 . . . . 75.450000000000003 109.347 176.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -59.09 -47.61 84.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.846 0.858 . . . . 71.549999999999997 109.772 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -82.22 103.55 11.9 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.475 -0.565 . . . . 53.009999999999998 109.475 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -87.53 -13.6 42.54 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.397 0.679 . . . . 60.229999999999997 111.92 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -57.92 -49.53 76.45 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.636 0.774 . . . . 64.239999999999995 110.733 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -45.46 81.8 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 115.039 -0.982 . . . . 74.439999999999998 109.858 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 82' ' ' LEU . 88.5 mt -65.79 -28.89 69.35 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.059 -0.973 . . . . 73.230000000000004 112.013 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 29.4 tt0 -64.33 -53.99 40.04 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 123.211 0.604 . . . . 61.32 110.426 -176.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.411 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -53.24 -45.51 68.77 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.468 1.105 . . . . 62.509999999999998 110.031 -178.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.457 ' HD2' HD11 ' A' ' 82' ' ' LEU . 55.8 t80 -61.03 -55.17 35.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.13 0.972 . . . . 73.099999999999994 110.83 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -68.51 -23.23 64.52 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.829 0.677 . . . . 74.109999999999999 112.829 -171.201 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 79.7 mtp180 -64.71 -42.01 95.58 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.568 0.347 . . . . 75.299999999999997 110.683 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -70.0 -44.45 69.35 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.357 -0.838 . . . . 53.32 109.905 179.31 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.423 HG23 HD13 ' A' ' 68' ' ' LEU . 41.6 mm -61.63 -44.66 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 123.963 0.905 . . . . 72.439999999999998 111.124 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -67.69 -33.43 74.9 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.38 -0.827 . . . . 64.340000000000003 110.953 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 t -73.3 -24.56 60.42 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.819 -0.628 . . . . 73.099999999999994 110.609 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -77.02 -4.28 43.36 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.499 0.72 . . . . 72.409999999999997 111.662 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.55 19.05 53.63 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-O 120.407 -0.107 . . . . 70.340000000000003 112.891 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -105.69 136.22 45.69 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.506 0.722 . . . . 53.539999999999999 109.255 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -78.44 129.19 34.63 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 109.323 -0.621 . . . . 75.450000000000003 109.323 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.45 HG13 ' HE2' ' A' ' 94' ' ' LYS . 2.8 p -140.66 126.71 20.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 121.2 0.524 . . . . 63.009999999999998 111.017 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -107.44 142.06 37.88 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.728 0.811 . . . . 75.209999999999994 109.815 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.83 126.16 52.32 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 106.91 -1.515 . . . . 73.019999999999996 106.91 169.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.3 m -131.25 166.61 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.648 0.779 . . . . 73.109999999999999 109.88 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 35.2 p -123.06 -38.4 2.6 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.645 0.778 . . . . 72.129999999999995 110.427 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.73 157.46 20.28 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.17 0.509 . . . . 71.230000000000004 111.566 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.99 -56.29 8.26 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.636 -1.166 . . . . 73.239999999999995 109.74 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.87 -34.29 77.06 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.492 -0.776 . . . . 73.239999999999995 110.938 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 116' ' ' ILE . 64.2 tt0 -64.93 -40.25 94.75 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 123.563 0.745 . . . . 63.43 110.019 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.6 -41.42 96.23 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.592 0.357 . . . . 73.510000000000005 111.399 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.401 HD11 ' HD3' ' A' ' 17' ' ' LYS . 96.7 mt -62.28 -43.46 98.78 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.642 0.777 . . . . 64.209999999999994 112.022 -177.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -69.09 -31.32 69.95 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 123.435 0.459 . . . . 65.340000000000003 110.654 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 112' ' ' GLU . 43.8 mm -67.16 -40.64 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.485 0.714 . . . . 72.140000000000001 110.727 177.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 84.9 t -62.4 -40.36 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.242 0.617 . . . . 65.230000000000004 109.795 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 91.8 mtt180 -68.15 -22.86 64.83 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.445 -0.798 . . . . 75.349999999999994 111.58 176.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.445 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 56.8 mt-10 -75.52 -53.18 9.06 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 110.097 -0.334 . . . . 71.420000000000002 110.097 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -49.73 -42.38 45.99 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.565 1.146 . . . . 73.209999999999994 112.718 -174.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 19.8 ptp -69.55 -22.04 63.58 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.452 0.701 . . . . 72.450000000000003 112.69 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 9.1 mm100 -80.47 -45.54 17.37 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.787 0.435 . . . . 65.430000000000007 110.545 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.445 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 3.4 mptp? -63.64 -31.6 72.82 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 109.836 -0.431 . . . . 71.140000000000001 109.836 176.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.568 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -51.78 -45.86 63.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.948 1.299 . . . . 54.25 112.465 177.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.45 -38.02 95.23 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 116.06 -0.518 . . . . 45.439999999999998 112.543 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.7 m -67.54 -34.37 76.94 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.396 0.678 . . . . 73.319999999999993 110.508 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 77' ' ' LYS . 92.4 mt -60.73 -48.35 82.19 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.791 0.836 . . . . 74.049999999999997 111.338 176.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.73 -26.84 60.88 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 123.35 0.406 . . . . 74.299999999999997 110.891 -173.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.4 ' HA ' ' HB3' ' A' ' 133' ' ' HIS . 91.2 m-70 -77.12 76.01 3.68 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 121.275 0.56 . . . . 73.329999999999998 109.779 167.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -139.62 153.25 47.31 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.718 1.207 . . . . 70.319999999999993 108.973 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 67.21 29.19 7.82 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.786 1.235 . . . . 72.129999999999995 110.561 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 30.1 t60 60.74 50.04 5.79 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.871 1.268 . . . . 65.230000000000004 110.37 -172.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 129' ' ' HIS . 20.1 t60 -77.49 107.06 9.67 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.174 -1.047 . . . . 73.129999999999995 108.174 172.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 . . . . . 0 CA--C 1.555 1.141 0 O-C-N 123.794 0.684 . . . . 75.409999999999997 109.597 177.888 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.457 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 13.7 tpt . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.86 -0.422 . . . . 73.329999999999998 109.86 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -91.05 137.49 32.33 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 109.111 -0.699 . . . . 61.439999999999998 109.111 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.54 HD12 ' HG2' ' A' ' 53' ' ' LYS . 55.6 mt -105.97 118.0 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.382 -0.599 . . . . 65.319999999999993 109.382 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.693 HD21 HD13 ' A' ' 45' ' ' LEU . 8.7 mp -115.37 133.31 56.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.595 0.758 . . . . 54.240000000000002 110.424 174.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.1 mt -113.08 107.46 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 N-CA-C 107.359 -1.349 . . . . 64.420000000000002 107.359 160.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.506 HD23 ' HB ' ' A' ' 56' ' ' ILE . 89.6 mt -86.06 111.44 20.32 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.42 -0.956 . . . . 72.340000000000003 108.42 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.475 HG13 HG21 ' A' ' 18' ' ' ILE . 38.9 mm -108.81 118.92 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 108.894 -0.78 . . . . 71.120000000000005 108.894 174.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -126.53 106.91 9.77 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.113 0.965 . . . . 73.420000000000002 108.673 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.503 HG21 ' HB3' ' A' ' 14' ' ' LEU . 11.9 t -129.37 147.11 51.16 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 123.091 0.557 . . . . 75.450000000000003 110.137 171.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -75.23 -38.73 60.48 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 109.239 -0.652 . . . . 70.400000000000006 109.239 171.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -82.59 84.25 7.32 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.618 0.723 . . . . 63.509999999999998 110.039 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -50.03 -29.2 8.25 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 126.552 1.941 . . . . 53.240000000000002 114.297 -173.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.651 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 23.3 mm-40 -55.79 -31.21 62.44 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.867 0.867 . . . . 63.310000000000002 111.997 -178.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' HB3' HG21 ' A' ' 9' ' ' THR . 56.1 tp -60.4 -48.36 82.08 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.334 1.054 . . . . 71.010000000000005 111.654 177.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.576 HG21 ' HG2' ' A' ' 57' ' ' LYS . 17.5 mt -69.68 -33.33 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 O-C-N 122.954 0.159 . . . . 74.239999999999995 110.759 -175.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 57.0 mtpt -55.12 -28.38 52.24 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.281 0.632 . . . . 74.120000000000005 111.107 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -83.44 -46.58 12.34 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.492 1.117 . . . . 62.450000000000003 110.494 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.475 HG21 HG13 ' A' ' 7' ' ' ILE . 75.6 mt -57.7 -31.84 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 124.721 1.209 . . . . 73.340000000000003 111.684 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HE3' HG11 ' A' ' 29' ' ' VAL . 53.4 mtpt -63.51 -43.69 96.45 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.535 0.734 . . . . 64.430000000000007 110.212 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -66.57 -38.18 86.53 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 116.112 -0.494 . . . . 72.349999999999994 110.065 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -57.86 -51.71 68.48 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.652 0.781 . . . . 73.219999999999999 110.92 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.578 HG11 HD13 ' A' ' 55' ' ' LEU . 19.8 m -72.91 -27.25 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 115.25 -0.886 . . . . 70.420000000000002 111.777 -173.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.94 -34.02 74.07 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.09 0.556 . . . . 72.239999999999995 111.555 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -62.93 -34.09 76.73 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.782 0.433 . . . . 53.409999999999997 110.821 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -93.87 -0.45 55.73 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.425 0.69 . . . . 55.32 111.614 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.23 37.82 11.96 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-N 116.257 -0.429 . . . . 72.450000000000003 114.05 171.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CE1' ' HE2' ' A' ' 53' ' ' LYS . 44.6 m-85 -88.33 137.36 32.4 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.68 0.392 . . . . 75.200000000000003 110.622 173.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -80.84 114.76 19.95 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 108.259 -1.015 . . . . 75.200000000000003 108.259 167.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.49 HG11 ' HE3' ' A' ' 19' ' ' LYS . 48.6 t -82.27 127.34 39.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 N-CA-C 109.286 -0.635 . . . . 54.039999999999999 109.286 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -132.63 118.7 19.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.873 1.269 . . . . 74.340000000000003 107.723 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -110.23 114.67 28.34 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.613 0.765 . . . . 62.409999999999997 112.338 -169.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 t -73.14 110.16 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 C-N-CA 124.048 0.939 . . . . 62.420000000000002 109.588 174.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.458 ' H ' ' HG3' ' A' ' 37' ' ' GLU . 31.0 m-80 -100.6 -26.67 13.75 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.952 0.901 . . . . 74.530000000000001 110.202 173.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.4 172.88 12.33 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.001 0.921 . . . . 74.019999999999996 110.702 -171.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.6 m -69.15 -30.21 68.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.172 -0.922 . . . . 74.329999999999998 110.168 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -66.84 -44.74 80.26 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.421 0.688 . . . . 75.340000000000003 110.307 174.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' HG3' ' H ' ' A' ' 33' ' ' ASN . 15.3 mm-40 -54.34 -49.31 70.06 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 124.119 0.887 . . . . 73.019999999999996 110.077 173.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' ' 42' ' ' MET . 45.0 tp -54.74 -58.49 7.33 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 125.186 1.554 . . . . 73.519999999999996 111.668 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -41.76 89.88 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 119.065 -0.493 . . . . 75.519999999999996 111.214 -174.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -57.34 -46.23 83.51 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.467 0.307 . . . . 60.009999999999998 111.284 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.7 pt-20 -74.14 -26.87 60.56 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.369 -0.378 . . . . 71.140000000000001 110.832 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' A' ' 38' ' ' LEU . 29.0 mtp -70.81 -21.27 62.49 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.121 0.415 . . . . 63.200000000000003 112.121 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -47.64 85.06 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.577 -0.897 . . . . 72.049999999999997 108.577 164.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -72.6 -14.98 61.74 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.412 1.085 . . . . 75.310000000000002 113.331 -178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.693 HD13 HD21 ' A' ' 4' ' ' LEU . 53.7 mt -87.44 -41.89 13.21 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.763 0.316 . . . . 63.25 110.741 173.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.32 -54.75 3.56 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.429 1.27 . . . . 73.510000000000005 114.429 -166.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -85.04 11.74 9.01 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 115.009 1.485 . . . . 71.209999999999994 115.009 -158.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -133.57 -34.65 1.03 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.071 -0.714 . . . . 74.219999999999999 109.071 161.037 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt 61.14 20.01 10.55 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.957 1.303 . . . . 73.239999999999995 112.041 172.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.41 ' H ' ' HG2' ' A' ' 48' ' ' GLU . 26.2 p-10 -66.05 163.04 18.19 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.409 0.684 . . . . 72.540000000000006 111.526 -175.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.457 ' HA ' ' O ' ' A' ' 1' ' ' MET . 82.9 t80 -74.04 94.24 2.36 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.731 -0.668 . . . . 64.25 109.856 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -142.18 145.61 34.35 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 123.529 0.732 . . . . 74.109999999999999 109.355 170.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HG2' HD12 ' A' ' 3' ' ' ILE . 51.5 mtpt -95.79 114.41 26.15 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.585 1.154 . . . . 72.530000000000001 108.205 -175.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.8 mt -123.75 125.95 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.297 0.639 . . . . 60.399999999999999 110.106 -177.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.578 HD13 HG11 ' A' ' 22' ' ' VAL . 32.1 tp -85.94 118.2 25.27 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 107.586 -1.264 . . . . 74.140000000000001 107.586 165.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.506 ' HB ' HD23 ' A' ' 6' ' ' LEU . 36.2 mm -93.82 132.42 37.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 108.378 -0.971 . . . . 61.0 108.378 170.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.576 ' HG2' HG21 ' A' ' 15' ' ' ILE . 13.6 tmtt? -115.31 131.71 56.84 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.77 1.228 . . . . 73.030000000000001 107.992 -177.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.1 t -156.77 152.03 26.44 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.161 0.505 . . . . 62.200000000000003 110.33 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -105.79 -3.95 21.4 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.727 0.811 . . . . 44.329999999999998 110.165 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -121.5 131.52 54.19 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.303 0.641 . . . . 63.020000000000003 111.069 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -80.31 -20.05 45.18 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.328 1.451 . . . . 74.319999999999993 114.291 -175.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.92 -44.17 73.65 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-N 118.157 0.435 . . . . 71.400000000000006 110.09 -177.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 mt -54.76 -33.75 61.69 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 124.772 1.295 . . . . 74.030000000000001 111.851 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mp -74.73 -39.82 61.66 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.704 0.802 . . . . 61.409999999999997 111.346 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 54.6 mtmt -62.43 -45.7 91.92 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 110.225 -0.287 . . . . 51.229999999999997 110.225 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.29 -41.58 89.29 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 124.63 1.206 . . . . 62.299999999999997 110.808 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.48 ' SD ' HD21 ' A' ' 6' ' ' LEU . 37.8 ttm -62.84 -48.74 77.76 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.07 -0.968 . . . . 72.420000000000002 110.506 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.402 HD21 HG11 ' A' ' 78' ' ' VAL . 66.1 mt -65.13 -30.41 71.34 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.433 1.093 . . . . 63.32 112.934 -173.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 54.1 mt-10 -64.09 -37.4 87.3 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.844 0.458 . . . . 74.129999999999995 110.532 177.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 80.9 mt -81.53 -35.53 30.23 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.293 0.637 . . . . 54.210000000000001 110.654 178.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.55 -35.41 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 123.993 0.917 . . . . 74.0 110.555 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 t -56.38 -35.17 67.41 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.666 0.786 . . . . 64.439999999999998 111.353 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -76.62 -37.2 56.76 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 123.901 0.75 . . . . 71.530000000000001 109.761 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 36.0 mt -70.67 -41.21 72.38 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.362 1.065 . . . . 65.430000000000007 110.857 -176.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.51 83.85 0.19 Allowed Glycine 0 C--N 1.348 1.203 0 O-C-N 124.414 1.071 . . . . 42.43 113.164 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -154.4 169.05 24.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.268 0.627 . . . . 75.510000000000005 111.001 173.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -73.8 128.69 36.19 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.858 0.863 . . . . 63.140000000000001 111.286 -174.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.402 HG11 HD21 ' A' ' 68' ' ' LEU . 95.2 t -119.27 135.03 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.055 0.942 . . . . 72.120000000000005 109.823 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -115.73 106.93 14.44 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 108.081 -1.081 . . . . 75.230000000000004 108.081 174.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.529 ' HG ' HG23 ' A' ' 104' ' ' VAL . 19.0 tp -111.23 136.09 50.82 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.213 0.46 . . . . 64.099999999999994 110.002 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.552 HD13 HG21 ' A' ' 116' ' ' ILE . 42.6 tp -132.67 128.27 36.65 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.36 1.064 . . . . 34.149999999999999 109.322 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.41 HD11 ' HD1' ' A' ' 93' ' ' PHE . 61.3 mt -109.14 137.23 47.35 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.422 1.089 . . . . 75.430000000000007 108.203 176.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -148.26 118.55 7.32 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.515 0.326 . . . . 62.039999999999999 110.598 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.492 ' HB3' HD11 ' A' ' 90' ' ' LEU . 27.0 t70 -175.37 161.53 2.76 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.453 1.101 . . . . 65.329999999999998 108.857 173.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -62.59 -37.96 88.26 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.449 1.1 . . . . 71.400000000000006 111.864 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.76 77.98 5.22 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.72 0.771 . . . . 64.109999999999999 109.79 173.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.71 -15.77 58.05 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 114.645 -1.161 . . . . 74.120000000000005 111.436 -177.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -58.14 -57.82 11.15 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.851 0.861 . . . . 74.109999999999999 110.981 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -72.01 -28.53 63.45 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.578 -0.737 . . . . 74.140000000000001 111.327 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' ' 84' ' ' ASP . 83.2 mt -71.45 -31.89 67.7 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.742 0.651 . . . . 75.230000000000004 110.42 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.31 -45.98 85.53 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.931 -0.766 . . . . 73.209999999999994 108.931 175.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.17 -47.73 83.2 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.083 -0.962 . . . . 72.010000000000005 110.222 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.41 ' HD1' HD11 ' A' ' 82' ' ' LEU . 43.5 t80 -54.69 -51.43 65.56 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.695 1.198 . . . . 73.400000000000006 110.661 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -71.29 -22.59 61.93 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 115.716 -0.675 . . . . 71.430000000000007 111.566 -176.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -63.23 -43.97 96.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.331 0.252 . . . . 65.150000000000006 110.585 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -55.83 21.25 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.667 0.604 . . . . 62.009999999999998 109.889 176.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.529 HG22 ' HB2' ' A' ' 102' ' ' TYR . 38.2 mm -62.59 -37.71 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 124.002 0.814 . . . . 61.340000000000003 111.921 -170.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.01 -34.33 71.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.325 0.65 . . . . 73.420000000000002 110.499 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.8 t -74.17 -27.19 60.71 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.358 0.663 . . . . 34.0 110.395 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -76.56 -7.35 55.02 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.966 0.906 . . . . 72.430000000000007 111.405 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.81 21.25 19.21 Favored Glycine 0 C--N 1.347 1.194 0 CA-C-O 120.079 -0.289 . . . . 75.0 113.575 172.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.529 ' HB2' HG22 ' A' ' 97' ' ' ILE . 62.2 m-85 -106.24 146.8 29.86 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 109.507 -0.553 . . . . 73.420000000000002 109.507 175.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.4 tt0 -77.19 116.02 17.46 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 108.456 -0.942 . . . . 71.439999999999998 108.456 173.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.529 HG23 ' HG ' ' A' ' 80' ' ' LEU . 3.6 p -138.35 127.63 32.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 CA-C-O 121.956 0.884 . . . . 74.239999999999995 110.136 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -112.53 150.98 30.54 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 114.243 -1.344 . . . . 70.239999999999995 107.895 177.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.441 ' NZ ' ' HB3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -133.32 115.01 14.39 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.313 -0.625 . . . . 72.230000000000004 109.313 -177.594 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 113' ' ' ALA . 25.2 m -124.72 -179.76 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.666 1.186 . . . . 61.530000000000001 110.418 -176.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.8 p -127.83 -49.65 1.36 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.23 1.012 . . . . 74.409999999999997 110.065 175.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.84 154.53 38.22 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.553 0.741 . . . . 63.409999999999997 112.285 -174.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.401 ' HA ' HD13 ' A' ' 14' ' ' LEU . 5.3 t70 -65.65 -54.68 24.26 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 114.403 -1.272 . . . . 60.210000000000001 110.654 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.96 -36.43 83.45 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 123.929 0.768 . . . . 74.349999999999994 110.879 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.527 ' O ' HG12 ' A' ' 116' ' ' ILE . 13.9 tp10 -64.51 -41.16 96.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.891 0.876 . . . . 72.409999999999997 110.242 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.431 ' HB2' HG21 ' A' ' 107' ' ' VAL . . . -68.7 -43.74 75.39 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.267 0.627 . . . . 23.510000000000002 112.545 178.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.47 -35.89 76.96 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.449 0.7 . . . . 64.519999999999996 110.514 178.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -60.58 -47.72 84.95 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 123.937 0.895 . . . . 75.530000000000001 109.703 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.552 HG21 HD13 ' A' ' 81' ' ' LEU . 45.1 mm -66.52 -31.99 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 123.93 0.769 . . . . 74.299999999999997 112.141 -175.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.15 -41.08 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.714 0.406 . . . . 73.239999999999995 110.03 172.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -73.16 -26.36 61.16 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.809 0.843 . . . . 75.209999999999994 111.085 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -63.62 -46.84 83.91 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.509 0.724 . . . . 74.340000000000003 109.069 171.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -59.16 -34.55 72.22 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.323 1.049 . . . . 71.219999999999999 111.881 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 24.6 mmt -61.29 -30.4 70.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.464 0.706 . . . . 71.310000000000002 112.196 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -66.53 -43.77 84.26 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.493 0.717 . . . . 42.439999999999998 110.58 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 11.1 mptt -78.9 -32.38 45.71 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.555 -0.748 . . . . 73.219999999999999 110.283 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.62 -37.25 70.93 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.593 0.757 . . . . 50.530000000000001 110.721 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.79 -39.96 95.42 Favored Glycine 0 C--N 1.346 1.094 0 CA-C-N 115.265 -0.88 . . . . 73.549999999999997 110.959 171.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.3 t -62.65 -24.55 67.67 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.102 0.961 . . . . 72.230000000000004 111.703 176.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 88.2 mt -70.2 -43.61 70.35 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 109.335 -0.617 . . . . 71.439999999999998 109.335 174.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -67.87 -24.29 65.23 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 115.373 -0.83 . . . . 63.340000000000003 110.65 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -75.96 75.8 2.86 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.258 -0.645 . . . . 75.219999999999999 109.258 170.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -70.25 135.56 49.1 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 108.175 -1.046 . . . . 65.420000000000002 108.175 174.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -65.57 90.15 0.11 Allowed 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 121.334 0.588 . . . . 75.25 109.81 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -108.99 122.93 48.29 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 114.942 -1.026 . . . . 63.509999999999998 109.565 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -79.25 167.49 20.88 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.962 0.505 . . . . 54.210000000000001 110.878 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 123.68 0.792 . . . . 53.329999999999998 110.292 -178.75 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 107.843 -1.169 . . . . 60.130000000000003 107.843 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -155.16 119.26 4.63 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 109.758 -0.46 . . . . 54.43 109.758 -171.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.565 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 72.2 mt -99.35 117.06 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.604 0.762 . . . . 70.129999999999995 109.616 -174.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.535 ' HB2' HG22 ' A' ' 78' ' ' VAL . 8.4 mp -112.0 146.82 37.2 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.032 0.933 . . . . 73.420000000000002 109.204 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.9 mt -123.62 106.43 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 107.206 -1.405 . . . . 62.240000000000002 107.206 166.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -85.53 132.58 34.17 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.187 0.995 . . . . 74.209999999999994 108.411 -178.011 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 mm -127.45 117.73 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.041 -0.726 . . . . 64.5 109.041 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.586 ' HB2' HD21 ' A' ' 64' ' ' LEU . 52.1 t-20 -118.7 102.1 8.59 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 107.655 -1.239 . . . . 72.219999999999999 107.655 170.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.446 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.7 t -131.53 136.39 47.83 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.051 -0.722 . . . . 75.549999999999997 109.051 169.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -74.29 -15.58 60.96 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.542 0.737 . . . . 75.239999999999995 110.751 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -85.16 107.07 17.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.255 1.022 . . . . 73.540000000000006 109.631 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.593 ' HA ' HD12 ' A' ' 15' ' ' ILE . 30.2 m-20 -64.18 -34.95 79.26 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.463 0.705 . . . . 73.299999999999997 111.661 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -63.21 -38.72 92.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.295 0.638 . . . . 75.239999999999995 110.812 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 tp -71.23 -33.55 69.97 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.164 0.586 . . . . 64.450000000000003 110.495 177.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.66 HD13 ' HE2' ' A' ' 57' ' ' LYS . 92.2 mt -59.19 -46.76 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 123.458 0.703 . . . . 63.219999999999999 110.399 174.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 75.2 mmtt -57.18 -38.54 73.79 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.493 0.717 . . . . 75.019999999999996 111.274 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -76.58 -42.2 43.49 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.225 -0.898 . . . . 52.439999999999998 111.628 -175.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.5 mt -68.73 -33.6 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.285 0.634 . . . . 71.140000000000001 110.073 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.445 ' HE2' HG11 ' A' ' 29' ' ' VAL . 9.2 mtpm? -56.0 -63.85 1.05 Allowed 'General case' 0 C--N 1.358 0.965 0 CA-C-N 115.778 -0.646 . . . . 73.030000000000001 109.406 171.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.59 -23.95 66.96 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.975 0.51 . . . . 72.319999999999993 112.154 -176.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.41 -53.81 53.14 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.004 0.922 . . . . 75.120000000000005 109.904 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 m -83.47 -23.85 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 CA-C-N 115.06 -0.973 . . . . 74.030000000000001 112.292 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -72.42 -28.28 62.87 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.27 0.628 . . . . 71.420000000000002 110.747 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -16.6 63.6 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 122.952 0.501 . . . . 63.229999999999997 110.959 170.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -111.09 18.65 19.2 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.068 0.947 . . . . 73.25 110.344 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.64 15.69 77.33 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 115.892 1.117 . . . . 52.409999999999997 115.892 167.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -80.14 133.49 36.07 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 118.46 1.13 . . . . 71.409999999999997 110.409 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.2 132.63 34.26 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.832 -0.803 . . . . 61.329999999999998 108.832 174.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.445 HG11 ' HE2' ' A' ' 19' ' ' LYS . 58.9 t -85.56 128.2 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 109.771 -0.455 . . . . 75.430000000000007 109.771 175.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -131.18 109.0 10.11 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 106.804 -1.554 . . . . 64.540000000000006 106.804 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -115.83 118.91 34.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.82 0.848 . . . . 74.340000000000003 112.078 -164.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.7 t -72.32 111.07 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.501 1.121 . . . . 71.150000000000006 110.103 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.617 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -96.57 -19.27 19.19 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.984 0.513 . . . . 74.319999999999993 111.597 179.251 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -162.81 172.2 15.56 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.73 0.812 . . . . 74.239999999999995 109.487 -173.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.8 t -61.0 -39.94 91.61 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.095 0.958 . . . . 73.140000000000001 111.535 173.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.5 -46.03 90.33 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.265 1.026 . . . . 62.420000000000002 109.922 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.617 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 19.3 mm-40 -60.29 -44.18 95.62 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 115.24 -0.891 . . . . 71.409999999999997 110.568 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.4 tp -55.34 -58.64 6.88 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 124.382 1.052 . . . . 74.430000000000007 110.976 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -35.14 79.74 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 123.751 0.657 . . . . 64.230000000000004 111.218 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -59.43 -46.17 89.48 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.691 0.397 . . . . 64.349999999999994 111.775 175.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.5 pt-20 -84.66 -18.59 34.88 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.395 -0.366 . . . . 73.25 111.534 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 80.9 mmm -67.94 -32.41 72.84 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.191 0.596 . . . . 75.120000000000005 110.383 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -63.65 -37.42 87.27 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 109.94 -0.393 . . . . 75.099999999999994 109.94 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 31.3 mmmt -67.81 -29.84 69.12 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 120.726 0.298 . . . . 73.219999999999999 111.32 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 64.8 mt -82.75 -31.38 28.4 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.396 0.679 . . . . 71.349999999999994 111.449 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.12 -50.64 5.73 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.744 0.818 . . . . 61.32 112.675 -172.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.23 -64.12 0.95 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.129 0.571 . . . . 71.329999999999998 109.629 -174.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 1.9 pm0 -86.28 87.35 7.41 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 122.301 1.048 . . . . 74.340000000000003 108.517 171.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -91.43 37.19 0.94 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.722 1.209 . . . . 74.310000000000002 110.19 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -64.22 153.05 39.17 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.433 1.493 . . . . 74.310000000000002 111.383 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -70.27 93.39 0.84 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.436 -0.579 . . . . 64.530000000000001 109.436 177.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -148.79 145.83 27.74 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-N 114.772 -1.104 . . . . 74.319999999999993 108.968 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.565 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 33.8 mtmm -109.41 101.92 10.85 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.669 -0.696 . . . . 73.230000000000004 109.661 -176.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -106.59 132.34 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.09 0.956 . . . . 74.450000000000003 110.45 -175.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.73 117.26 21.26 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.266 -1.012 . . . . 73.5 108.266 166.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.4 mm -92.6 147.08 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 108.575 -0.898 . . . . 70.340000000000003 108.575 170.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.66 ' HE2' HD13 ' A' ' 15' ' ' ILE . 14.1 tmtt? -135.85 134.12 38.51 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.259 -1.015 . . . . 75.049999999999997 108.259 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -158.05 173.94 15.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.285 0.634 . . . . 62.130000000000003 109.875 -177.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -132.65 -50.41 0.91 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.102 0.961 . . . . 74.319999999999993 110.612 -169.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -92.09 132.42 36.6 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.098 -0.501 . . . . 62.030000000000001 110.9 -172.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -54.1 -34.49 60.37 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.946 1.298 . . . . 61.329999999999998 113.512 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -67.12 -41.32 86.37 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 123.528 0.518 . . . . 74.129999999999995 109.757 -173.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.46 -38.29 83.73 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.678 0.791 . . . . 74.409999999999997 111.083 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.586 HD21 ' HB2' ' A' ' 8' ' ' ASN . 7.1 mp -72.6 -40.29 66.64 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.352 0.661 . . . . 74.049999999999997 111.211 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mmmp? -59.31 -58.28 9.31 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.514 0.509 . . . . 73.400000000000006 109.792 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -60.96 -36.29 79.01 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.636 1.174 . . . . 72.209999999999994 111.444 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 34.2 ttm -59.02 -58.6 7.93 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.607 0.763 . . . . 73.120000000000005 110.111 174.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.43 HD12 HD12 ' A' ' 97' ' ' ILE . 96.2 mt -72.87 -23.55 60.75 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.39 1.076 . . . . 75.430000000000007 113.24 -170.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -74.22 -29.83 61.9 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.857 0.463 . . . . 73.219999999999999 110.587 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.4 mt -80.52 -38.99 28.68 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.925 -0.579 . . . . 71.349999999999994 110.304 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.6 mt -66.95 -31.14 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.775 0.83 . . . . 53.439999999999998 110.408 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -61.24 -28.29 69.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.507 0.723 . . . . 65.530000000000001 111.041 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -85.68 -38.6 18.15 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.828 0.851 . . . . 75.040000000000006 111.0 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.31 -35.67 80.98 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.491 0.717 . . . . 73.5 111.143 -177.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.3 74.36 0.99 Allowed Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.667 -0.697 . . . . 43.310000000000002 113.726 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -155.43 177.67 11.1 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.344 0.658 . . . . 73.519999999999996 110.416 168.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.474 ' HG3' HD13 ' A' ' 127' ' ' LEU . 75.2 mmtt -88.65 134.74 33.8 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.965 0.906 . . . . 74.340000000000003 111.552 -170.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 4' ' ' LEU . 46.3 t -138.23 131.58 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.171 0.989 . . . . 74.120000000000005 108.837 170.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -114.61 108.85 17.37 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.479 -0.934 . . . . 72.140000000000001 108.479 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' ' 6' ' ' LEU . 33.9 tp -99.81 134.32 42.89 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.13 0.491 . . . . 63.009999999999998 111.342 -173.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.48 HD13 HG21 ' A' ' 116' ' ' ILE . 45.3 tp -120.96 136.82 54.88 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.325 1.05 . . . . 73.340000000000003 108.744 172.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 8' ' ' ASN . 74.9 mt -121.6 130.54 53.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.186 0.995 . . . . 62.030000000000001 109.045 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -147.79 110.12 4.61 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.867 0.467 . . . . 71.439999999999998 111.113 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.579 ' HB3' HD11 ' A' ' 90' ' ' LEU . 16.3 t70 -164.16 157.62 18.24 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.894 0.877 . . . . 62.130000000000003 109.147 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -54.2 -41.33 68.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.846 1.258 . . . . 64.439999999999998 111.802 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.62 76.42 7.49 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 108.558 -0.904 . . . . 63.409999999999997 108.558 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -39.44 90.85 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 114.581 -1.19 . . . . 71.430000000000007 112.775 -169.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -76.58 -22.76 53.81 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.924 0.49 . . . . 71.109999999999999 110.247 -171.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.13 -47.49 82.56 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.953 0.901 . . . . 64.200000000000003 109.79 170.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 84' ' ' ASP . 87.5 mt -72.89 -31.39 64.65 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.491 -1.232 . . . . 64.430000000000007 111.104 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 43.6 tt0 -67.17 -41.52 85.83 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.489 0.716 . . . . 72.219999999999999 109.641 178.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.413 ' HG2' ' NH1' ' A' ' 95' ' ' ARG . 0.6 OUTLIER -68.48 -40.42 80.98 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.579 0.752 . . . . 71.140000000000001 109.629 177.694 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -61.0 -49.89 75.59 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.862 -1.063 . . . . 71.010000000000005 111.591 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.443 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.64 -21.5 66.11 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.436 0.694 . . . . 62.140000000000001 111.731 -174.46 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 80.5 mtt180 -63.32 -46.84 84.8 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.126 0.571 . . . . 74.439999999999998 109.965 173.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.95 -29.67 63.27 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.267 1.027 . . . . 72.219999999999999 111.272 -177.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.444 HG22 ' HB2' ' A' ' 102' ' ' TYR . 44.5 mm -73.92 -37.74 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-O 121.136 0.493 . . . . 72.310000000000002 109.908 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.17 -31.55 66.04 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.185 0.994 . . . . 62.009999999999998 110.439 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 69.2 m -68.41 -34.38 75.91 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.316 0.646 . . . . 74.310000000000002 110.572 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.415 HE21 ' HA ' ' A' ' 97' ' ' ILE . 49.3 mt-30 -66.47 -27.86 68.13 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.706 0.402 . . . . 71.140000000000001 110.604 171.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.8 37.25 3.24 Favored Glycine 0 C--N 1.345 1.048 0 C-N-CA 123.065 0.364 . . . . 61.350000000000001 112.612 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.444 ' HB2' HG22 ' A' ' 97' ' ' ILE . 89.9 m-85 -109.86 147.48 33.27 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.893 0.477 . . . . 74.230000000000004 110.787 175.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.483 ' HG2' ' HD3' ' A' ' 123' ' ' LYS . 10.3 tp10 -75.9 109.56 9.63 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 114.961 -1.018 . . . . 75.439999999999998 108.661 173.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.89 134.49 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.252 0.621 . . . . 75.430000000000007 110.652 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.411 ' HB2' HG21 ' A' ' 116' ' ' ILE . 15.8 mmt180 -130.29 155.53 46.16 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.79 0.836 . . . . 71.030000000000001 109.489 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -123.6 136.56 54.58 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.132 0.973 . . . . 72.150000000000006 109.119 177.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.4 m -132.15 163.81 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.439 1.096 . . . . 75.209999999999994 110.201 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.2 p -125.51 -15.71 6.03 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.095 0.958 . . . . 75.329999999999998 111.204 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -109.51 152.58 25.25 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.463 0.649 . . . . 62.140000000000001 111.119 177.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.4 -51.75 40.59 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 114.434 -1.257 . . . . 74.230000000000004 110.141 176.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -62.5 -27.76 69.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.836 0.854 . . . . 61.240000000000002 111.772 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -77.53 -38.75 48.07 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.374 1.069 . . . . 64.430000000000007 110.604 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.15 -42.37 94.74 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.278 0.631 . . . . 63.119999999999997 111.404 176.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.4 ' HB3' HH12 ' A' ' 118' ' ' ARG . 84.0 mt -64.35 -31.86 73.23 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.764 0.826 . . . . 64.319999999999993 111.202 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 111' ' ' GLU . 63.4 mttp -63.25 -47.06 84.01 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.337 0.655 . . . . 74.299999999999997 110.284 173.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.48 HG21 HD13 ' A' ' 81' ' ' LEU . 46.6 mm -69.45 -34.24 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.273 0.629 . . . . 74.319999999999993 111.477 -175.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' ' 121' ' ' MET . 82.1 t -54.09 -49.91 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 109.405 -0.591 . . . . 72.450000000000003 109.405 171.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.4 HH12 ' HB3' ' A' ' 114' ' ' LEU . 73.1 mtt85 -64.15 -31.94 73.33 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.501 -0.772 . . . . 62.43 112.171 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.88 -46.99 85.28 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.745 0.418 . . . . 43.409999999999997 110.219 172.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.494 ' HA ' ' HD2' ' A' ' 123' ' ' LYS . 22.1 m-30 -63.87 -29.13 70.35 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.259 1.024 . . . . 61.149999999999999 112.173 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.536 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 98.3 mmm -70.21 -34.46 72.95 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.375 0.67 . . . . 72.420000000000002 110.851 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -73.39 -36.31 66.02 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.747 -0.66 . . . . 71.420000000000002 110.293 177.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.494 ' HD2' ' HA ' ' A' ' 120' ' ' PHE . 62.1 mttm -67.05 -47.5 71.15 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.39 1.076 . . . . 54.200000000000003 110.541 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.463 ' HA ' HD12 ' A' ' 127' ' ' LEU . . . -65.94 -32.54 74.09 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.055 0.942 . . . . 54.539999999999999 110.725 177.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.74 -37.38 76.14 Favored Glycine 0 C--N 1.352 1.445 0 CA-C-N 115.334 -0.848 . . . . 21.23 112.139 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.536 ' HA ' ' HB3' ' A' ' 130' ' ' HIS . 73.0 m -65.27 -22.86 66.91 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.499 0.72 . . . . 75.329999999999998 111.453 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.474 HD13 ' HG3' ' A' ' 77' ' ' LYS . 30.2 mt -83.46 -46.59 12.32 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.556 0.742 . . . . 72.120000000000005 110.389 175.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -84.57 -70.46 0.57 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.613 0.765 . . . . 73.530000000000001 112.298 -172.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -125.57 93.35 3.83 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.768 0.827 . . . . 74.200000000000003 109.336 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.536 ' HB3' ' HA ' ' A' ' 126' ' ' SER . 17.2 p80 -112.95 127.2 56.15 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.67 0.388 . . . . 75.239999999999995 110.212 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -122.09 -44.15 2.3 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.299 -1.0 . . . . 50.32 108.299 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -80.93 100.22 8.79 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 108.455 -0.943 . . . . 73.219999999999999 108.455 169.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -79.05 145.53 33.79 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.968 -0.753 . . . . 72.219999999999999 108.968 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 86.0 t60 . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 108.169 -1.049 . . . . 75.420000000000002 108.169 172.313 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 109.923 -0.399 . . . . 75.319999999999993 109.923 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.518 ' HE3' ' HB3' ' A' ' 52' ' ' GLU . 3.1 ttmp? -159.07 153.79 24.6 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.519 -0.919 . . . . 74.299999999999997 108.519 172.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.409 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 79.2 mt -119.08 109.55 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.03 0.932 . . . . 73.0 108.874 -178.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.7 mp -105.43 136.79 44.34 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.748 -0.834 . . . . 71.209999999999994 108.748 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.5 mt -113.04 114.49 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.189 -1.411 . . . . 73.129999999999995 107.189 164.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.495 HD21 ' SD ' ' A' ' 67' ' ' MET . 84.7 mt -88.65 132.5 34.54 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.297 -1.001 . . . . 65.109999999999999 108.297 178.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.7 mm -125.49 113.41 34.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 107.871 -1.159 . . . . 75.219999999999999 107.871 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -119.29 97.98 5.93 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.569 -1.641 . . . . 70.430000000000007 106.569 168.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 t -132.31 139.7 48.3 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 115.281 -0.872 . . . . 74.299999999999997 109.491 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -75.87 -19.74 58.63 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.27 -0.877 . . . . 73.329999999999998 109.846 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -75.34 88.36 2.57 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.841 0.857 . . . . 75.319999999999993 109.062 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.18 -34.09 76.78 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.812 0.845 . . . . 72.319999999999993 111.353 -176.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.35 -40.54 71.38 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.799 1.24 . . . . 71.230000000000004 111.515 172.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.9 tp -71.37 -33.65 69.74 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.769 1.227 . . . . 75.140000000000001 111.194 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.2 mt -63.23 -39.6 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 122.972 0.509 . . . . 72.200000000000003 110.834 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -57.4 -33.19 67.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 123.82 0.7 . . . . 74.140000000000001 110.543 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HE2' HD11 ' A' ' 114' ' ' LEU . 49.1 mtpt -81.33 -42.94 19.79 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.806 1.242 . . . . 41.149999999999999 110.722 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.9 mt -60.72 -36.0 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.945 0.898 . . . . 61.520000000000003 109.835 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.606 ' HE2' HG11 ' A' ' 29' ' ' VAL . 8.6 mtpm? -58.83 -57.03 14.84 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.167 -0.924 . . . . 72.099999999999994 109.557 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -56.85 -32.24 65.59 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.216 0.606 . . . . 43.539999999999999 112.053 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.73 -55.41 23.5 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.263 0.625 . . . . 74.540000000000006 111.128 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.0 m -80.91 -22.68 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 112.911 0.708 . . . . 71.239999999999995 112.911 -171.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.13 -21.64 60.68 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.662 0.785 . . . . 62.439999999999998 110.803 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.94 -18.85 64.88 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.175 0.59 . . . . 63.340000000000003 111.019 170.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -108.56 8.78 27.34 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.015 0.926 . . . . 74.200000000000003 111.264 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.38 37.39 62.81 Favored Glycine 0 C--N 1.347 1.145 0 N-CA-C 114.287 0.475 . . . . 55.210000000000001 114.287 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -75.82 127.21 32.54 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.832 -0.433 . . . . 71.230000000000004 109.832 170.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -79.79 114.23 18.55 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.35 -0.982 . . . . 73.109999999999999 108.35 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.606 HG11 ' HE2' ' A' ' 19' ' ' LYS . 43.0 t -87.15 127.91 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 109.859 -0.422 . . . . 75.439999999999998 109.859 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HB2' HD13 ' A' ' 56' ' ' ILE . 2.4 mpt_? -117.33 159.49 22.64 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.374 1.07 . . . . 73.420000000000002 108.506 170.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -129.84 112.68 13.81 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.377 -0.972 . . . . 64.329999999999998 108.377 171.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.637 HG12 HD13 ' A' ' 63' ' ' LEU . 63.3 t -111.7 110.76 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.417 1.087 . . . . 51.140000000000001 108.302 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.77 -36.76 7.73 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.713 0.805 . . . . 72.299999999999997 109.759 175.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -117.0 158.83 23.46 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.543 0.737 . . . . 74.109999999999999 110.658 -173.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.2 t -65.75 -21.84 66.55 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.606 1.162 . . . . 62.210000000000001 112.022 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 18.4 t70 -60.11 -58.88 6.64 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 123.476 0.71 . . . . 65.25 109.358 170.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.71 -27.57 67.99 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.626 1.204 . . . . 75.409999999999997 111.275 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.3 tp -65.28 -61.5 2.09 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.484 0.714 . . . . 63.5 110.474 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -68.38 -25.08 64.89 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 123.541 0.525 . . . . 72.430000000000007 111.997 -172.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 36' ' ' ASP . 4.5 mmmp? -62.34 -48.24 80.68 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.715 0.635 . . . . 74.530000000000001 110.036 175.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 62.8 mm-40 -77.8 -27.23 50.09 Favored 'General case' 0 C--N 1.348 0.5 0 N-CA-C 112.337 0.495 . . . . 72.030000000000001 112.337 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.463 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 93.2 mmm -66.57 -31.29 71.9 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.119 0.168 . . . . 62.409999999999997 110.651 174.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -61.41 -48.59 80.5 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 109.285 -0.635 . . . . 73.319999999999993 109.285 169.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -57.59 -36.75 72.15 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.905 0.882 . . . . 74.329999999999998 111.279 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 51.5 mt -70.31 -36.77 74.53 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.699 0.8 . . . . 62.409999999999997 110.638 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.9 -36.96 64.8 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.677 0.791 . . . . 72.329999999999998 112.192 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 6.3 mm-40 -75.47 -61.85 1.77 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.887 -0.783 . . . . 64.219999999999999 108.887 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -93.43 93.78 8.33 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 108.623 -0.88 . . . . 64.040000000000006 108.623 173.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.685 ' H ' ' HD3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -101.22 8.93 42.35 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.29 1.036 . . . . 73.439999999999998 109.75 173.421 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -65.01 162.71 16.11 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.773 1.229 . . . . 72.450000000000003 110.247 168.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.01 129.53 41.88 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 120.957 0.408 . . . . 72.400000000000006 111.508 -175.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 11.3 tp10 -159.54 158.84 32.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.156 -0.929 . . . . 73.420000000000002 109.104 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 57.0 mtmt -125.57 115.67 20.54 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.198 -1.038 . . . . 75.120000000000005 108.198 175.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.5 mt -127.44 125.9 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.165 0.986 . . . . 52.210000000000001 109.829 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.3 tp -86.46 131.92 34.06 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.22 -1.03 . . . . 73.420000000000002 108.22 169.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.405 HD13 ' HB2' ' A' ' 30' ' ' ARG . 30.5 mm -115.47 122.11 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 108.719 -0.845 . . . . 64.120000000000005 108.719 172.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -96.52 140.26 31.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.318 1.047 . . . . 72.450000000000003 109.053 171.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.435 ' HB2' HD11 ' A' ' 64' ' ' LEU . 68.8 m -149.43 144.74 26.54 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.21 0.604 . . . . 43.420000000000002 111.214 174.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -102.51 -2.32 28.84 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.209 1.004 . . . . 75.329999999999998 110.223 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.437 ' HB3' HD12 ' A' ' 63' ' ' LEU . 24.1 t70 -118.82 139.11 52.14 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.031 0.932 . . . . 61.0 109.685 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.51 -36.15 38.95 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 123.596 0.758 . . . . 73.510000000000005 112.424 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -69.21 -34.51 74.99 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.879 0.871 . . . . 71.319999999999993 110.99 -169.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.637 HD13 HG12 ' A' ' 32' ' ' VAL . 86.0 mt -52.27 -40.1 61.3 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.883 0.873 . . . . 75.299999999999997 111.587 176.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 58' ' ' SER . 6.6 mp -70.57 -40.1 73.52 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.33 1.052 . . . . 74.049999999999997 110.489 -176.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -61.72 -56.47 19.28 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.196 -0.668 . . . . 74.230000000000004 109.196 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -54.62 -43.28 72.13 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 125.045 1.466 . . . . 75.510000000000005 110.953 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.495 ' SD ' HD21 ' A' ' 6' ' ' LEU . 33.9 ttm -60.12 -53.04 62.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.169 0.987 . . . . 74.329999999999998 110.423 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.412 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 96.6 mt -68.82 -26.91 65.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.218 1.007 . . . . 74.25 112.19 -175.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.78 -30.36 64.04 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.181 0.592 . . . . 61.509999999999998 110.4 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.6 mt -84.12 -28.25 27.62 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.616 0.766 . . . . 73.310000000000002 110.732 174.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.469 HD13 HG21 ' A' ' 78' ' ' VAL . 70.2 mt -73.17 -22.43 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.052 0.941 . . . . 72.120000000000005 109.861 175.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.9 t -57.67 -31.3 66.2 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.343 0.657 . . . . 74.420000000000002 111.169 171.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -73.6 -33.57 64.67 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.528 0.731 . . . . 74.010000000000005 111.457 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.0 mt -81.61 -48.42 11.77 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.128 0.571 . . . . 65.450000000000003 111.159 -174.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.42 73.74 1.15 Allowed Glycine 0 C--N 1.343 0.938 0 C-N-CA 123.391 0.52 . . . . 51.43 113.53 172.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -149.49 174.18 12.77 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.172 0.589 . . . . 75.409999999999997 111.18 174.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -73.45 120.79 19.54 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.989 0.916 . . . . 73.120000000000005 111.105 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.469 HG21 HD13 ' A' ' 71' ' ' ILE . 42.1 t -124.94 139.28 51.52 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.813 -0.81 . . . . 71.209999999999994 108.813 169.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -107.33 157.93 17.55 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.972 1.309 . . . . 70.219999999999999 108.388 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 81' ' ' LEU . 18.6 tp -148.36 136.2 20.85 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.061 0.458 . . . . 54.409999999999997 110.578 177.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.428 HD21 ' HB1' ' A' ' 113' ' ' ALA . 41.8 tp -125.11 133.37 52.88 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.448 1.099 . . . . 72.530000000000001 109.239 174.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.545 ' HB3' HD22 ' A' ' 90' ' ' LEU . 75.0 mt -121.06 124.75 45.58 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.267 1.027 . . . . 64.510000000000005 108.708 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.438 ' HB2' HG23 ' A' ' 107' ' ' VAL . . . -142.94 110.62 5.85 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 118.421 0.555 . . . . 73.329999999999998 110.742 178.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' HB3' HD11 ' A' ' 90' ' ' LEU . 24.0 t70 -159.51 162.72 35.55 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.037 0.535 . . . . 72.140000000000001 110.079 -177.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -57.36 -47.32 81.93 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.944 1.298 . . . . 62.310000000000002 110.522 176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -78.37 83.03 4.62 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.638 -1.245 . . . . 71.530000000000001 107.638 173.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.56 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -73.43 -21.21 60.53 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.579 -1.191 . . . . 74.310000000000002 110.808 -179.353 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -71.35 -43.19 67.43 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.491 1.116 . . . . 72.310000000000002 111.016 -174.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER -68.56 -31.8 71.27 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 123.502 0.501 . . . . 74.450000000000003 110.649 178.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 82' ' ' LEU . 78.8 mt -69.08 -39.76 78.87 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.604 0.761 . . . . 75.310000000000002 110.455 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.461 ' HB2' ' HZ3' ' A' ' 106' ' ' LYS . 35.6 tt0 -69.28 -35.19 75.79 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.492 0.495 . . . . 75.230000000000004 110.352 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -69.55 -45.67 68.2 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.936 0.894 . . . . 74.510000000000005 109.482 176.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.429 ' HD2' HD11 ' A' ' 82' ' ' LEU . 55.8 t80 -62.55 -46.71 87.11 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.934 1.294 . . . . 64.120000000000005 111.079 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -34.55 78.58 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.531 -0.758 . . . . 64.439999999999998 110.365 -173.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -62.08 -33.34 74.23 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.388 0.675 . . . . 73.530000000000001 111.88 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 0.5 OUTLIER -72.6 -45.01 61.21 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.816 0.846 . . . . 54.229999999999997 110.597 176.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.1 mm -66.84 -33.15 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-O 122.025 0.917 . . . . 72.109999999999999 110.552 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.45 -35.56 68.3 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.503 1.521 . . . . 73.230000000000004 110.118 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -72.31 -30.11 64.48 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.783 -1.099 . . . . 63.219999999999999 110.418 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 97.9 mt-30 -66.98 -19.72 65.76 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.133 0.573 . . . . 65.120000000000005 111.23 173.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.44 27.53 9.13 Favored Glycine 0 C--N 1.348 1.245 0 C-N-CA 122.845 0.26 . . . . 44.420000000000002 112.556 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -109.1 144.28 37.34 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.323 0.649 . . . . 73.230000000000004 110.013 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -72.99 113.12 9.66 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 108.779 -0.823 . . . . 63.210000000000001 108.779 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.4 p -139.18 142.22 34.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.056 0.543 . . . . 55.310000000000002 109.935 -175.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -133.72 139.04 46.15 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.549 0.74 . . . . 75.040000000000006 109.911 -177.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.56 ' HE3' ' HB2' ' A' ' 87' ' ' GLU . 1.7 tmtp? -102.69 122.86 45.29 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.827 1.251 . . . . 73.400000000000006 108.101 175.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.438 HG23 ' HB2' ' A' ' 83' ' ' ALA . 33.1 m -137.93 -178.97 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.892 1.277 . . . . 70.239999999999995 109.657 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.0 m -148.9 -42.38 0.15 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.561 0.745 . . . . 74.099999999999994 109.618 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.04 154.04 31.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.82 0.848 . . . . 75.140000000000001 111.143 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.56 -60.26 2.88 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.593 1.157 . . . . 73.530000000000001 111.852 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.15 -21.18 56.88 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 120.619 0.247 . . . . 73.219999999999999 110.76 -174.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.502 ' O ' HG12 ' A' ' 116' ' ' ILE . 42.8 tt0 -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 115.592 -0.731 . . . . 64.329999999999998 110.046 170.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.428 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -61.91 -44.5 96.66 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 122.53 0.332 . . . . 74.120000000000005 111.24 175.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.434 HD11 ' HE2' ' A' ' 17' ' ' LYS . 96.1 mt -62.93 -38.18 90.0 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.411 0.684 . . . . 60.409999999999997 112.042 -176.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 14.0 ptmm? -74.54 -26.58 60.05 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.646 0.378 . . . . 75.450000000000003 110.955 -177.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 112' ' ' GLU . 37.5 mm -73.01 -42.96 59.52 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 123.548 0.739 . . . . 62.329999999999998 110.543 175.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 113' ' ' ALA . 93.4 t -56.07 -40.19 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 123.398 0.679 . . . . 74.099999999999994 110.092 175.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 99.9 mtt180 -64.46 -32.69 74.43 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.443 -0.799 . . . . 70.430000000000007 111.638 178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.85 -48.3 74.83 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 110.346 -0.242 . . . . 70.120000000000005 110.346 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 22.8 m-30 -54.91 -36.51 65.28 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.496 0.719 . . . . 73.25 111.57 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 78.6 mtp -73.02 -31.24 64.33 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.044 0.938 . . . . 72.5 111.073 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 84.9 mm-40 -67.37 -43.67 80.86 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.307 0.643 . . . . 70.129999999999995 110.828 175.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 3.8 mptp? -62.03 -46.13 90.51 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 109.203 -0.666 . . . . 74.5 109.203 173.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.571 ' HA ' HD12 ' A' ' 127' ' ' LEU . . . -61.89 -41.57 98.04 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.314 1.046 . . . . 63.100000000000001 112.533 -171.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.1 -48.69 84.85 Favored Glycine 0 C--N 1.346 1.119 0 N-CA-C 111.102 -0.799 . . . . 72.319999999999993 111.102 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.0 m -60.41 -29.14 68.79 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.44 1.096 . . . . 73.400000000000006 112.516 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 124' ' ' ALA . 75.2 mt -69.49 -33.19 72.51 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.478 0.711 . . . . 71.420000000000002 110.938 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -71.14 -33.65 70.28 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.428 -0.806 . . . . 61.25 110.985 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -80.16 30.8 0.27 Allowed 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.58 0.956 . . . . 75.439999999999998 113.58 -171.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -78.58 66.99 4.24 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 108.414 -0.958 . . . . 62.219999999999999 108.414 164.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -79.04 79.85 5.41 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.826 0.85 . . . . 74.049999999999997 111.671 -173.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -81.88 130.36 35.05 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 114.896 -1.047 . . . . 71.430000000000007 109.925 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -153.1 9.08 0.43 Allowed 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.25 0.62 . . . . 75.230000000000004 110.88 -176.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 . . . . . 0 CA--C 1.553 1.067 0 N-CA-C 108.573 -0.899 . . . . 73.299999999999997 108.573 176.717 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.678 -0.49 . . . . 65.209999999999994 109.678 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.482 ' HE3' HD11 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -160.01 168.1 26.4 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.395 1.078 . . . . 72.129999999999995 108.852 172.409 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.611 HD13 ' HB1' ' A' ' 124' ' ' ALA . 75.8 mt -110.09 123.06 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 109.158 -0.682 . . . . 61.32 109.158 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.482 HD11 ' HE3' ' A' ' 2' ' ' LYS . 9.6 mp -122.21 121.81 37.69 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.814 -0.81 . . . . 74.230000000000004 108.814 168.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 47.6 mt -106.63 112.17 38.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.506 -1.294 . . . . 70.409999999999997 107.506 169.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.508 HD21 ' SD ' ' A' ' 67' ' ' MET . 85.7 mt -87.02 124.3 33.05 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.884 0.874 . . . . 73.450000000000003 109.031 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.433 HG13 HG21 ' A' ' 18' ' ' ILE . 46.0 mm -111.84 116.08 51.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 N-CA-C 108.646 -0.872 . . . . 71.450000000000003 108.646 173.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.431 ' OD1' ' HG2' ' A' ' 61' ' ' LYS . 28.1 t-20 -124.56 104.67 8.84 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 108.185 -1.043 . . . . 70.120000000000005 108.185 169.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 4.5 t -130.94 143.95 51.11 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.844 -0.616 . . . . 74.200000000000003 111.09 175.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -65.65 -24.36 67.01 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.731 1.212 . . . . 63.119999999999997 109.693 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -95.71 93.97 7.42 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.445 1.098 . . . . 65.010000000000005 109.383 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.08 -25.49 68.13 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.225 0.61 . . . . 74.109999999999999 111.096 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.65 -42.33 98.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.945 0.898 . . . . 72.439999999999998 111.178 174.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.54 -34.49 74.2 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.965 0.906 . . . . 74.409999999999997 111.045 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.36 -41.31 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.083 0.553 . . . . 71.219999999999999 111.495 178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 66.9 mttm -50.93 -43.67 60.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 123.719 0.637 . . . . 75.439999999999998 110.867 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -70.64 -42.17 71.2 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.292 -1.322 . . . . 73.319999999999993 110.265 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.433 HG21 HG13 ' A' ' 7' ' ' ILE . 83.0 mt -63.44 -33.34 60.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 123.801 0.84 . . . . 72.430000000000007 111.155 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 25.1 mtpp -62.84 -53.73 49.68 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.568 0.747 . . . . 74.239999999999995 110.175 177.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -63.74 -32.81 74.43 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.256 -0.884 . . . . 73.310000000000002 110.013 -178.318 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.79 -48.93 72.69 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.915 1.286 . . . . 64.510000000000005 110.88 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.6 HG11 HD13 ' A' ' 55' ' ' LEU . 26.3 m -73.4 -24.29 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 115.935 -0.575 . . . . 74.439999999999998 111.979 -176.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 50.1 mt-10 -61.68 -27.39 68.65 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.978 0.511 . . . . 74.530000000000001 111.775 173.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -68.52 -17.19 64.11 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 122.808 0.443 . . . . 73.140000000000001 111.981 176.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -111.34 -3.38 15.3 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.617 0.767 . . . . 71.349999999999994 111.448 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.43 32.43 22.43 Favored Glycine 0 C--N 1.351 1.387 0 O-C-N 123.31 0.381 . . . . 64.540000000000006 113.894 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.571 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 4.3 m-85 -88.19 141.27 28.7 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.203 0.601 . . . . 64.310000000000002 110.041 174.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.71 167.73 17.92 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 114.853 -1.067 . . . . 65.5 108.304 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.9 t -127.59 128.8 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 108.38 -0.97 . . . . 64.5 108.38 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.649 ' HE ' ' HA ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -121.22 111.57 17.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.277 1.031 . . . . 74.329999999999998 109.638 -177.356 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.62 111.9 19.53 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 121.352 0.596 . . . . 73.010000000000005 110.916 -176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.51 HG12 HD13 ' A' ' 63' ' ' LEU . 89.9 t -102.72 108.62 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.467 -1.242 . . . . 62.32 107.883 167.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.47 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 26.0 m-80 -93.19 -36.82 12.42 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.023 0.929 . . . . 73.230000000000004 110.511 -178.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' H ' ' HB2' ' A' ' 37' ' ' GLU . 38.9 t70 -141.63 172.86 12.11 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.323 -0.853 . . . . 73.439999999999998 110.364 -166.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -58.47 -35.83 72.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.736 1.214 . . . . 73.120000000000005 112.179 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.75 -49.55 67.97 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.509 0.724 . . . . 73.409999999999997 109.617 176.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 8.8 mm-40 -56.69 -40.13 75.05 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 124.15 0.906 . . . . 73.430000000000007 110.721 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' A' ' 66' ' ' GLU . 43.8 tp -60.49 -61.23 2.75 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 123.898 0.879 . . . . 70.540000000000006 110.079 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -64.04 -36.03 82.65 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 124.108 0.88 . . . . 71.230000000000004 111.454 -171.228 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -56.46 -51.84 66.91 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 122.755 0.422 . . . . 75.450000000000003 109.943 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 11.1 mm-40 -73.44 -24.44 60.24 Favored 'General case' 0 C--O 1.21 -0.986 0 CA-C-N 115.344 -0.844 . . . . 73.129999999999995 110.83 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.74 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 74.8 mmm -70.39 -35.42 73.48 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 118.64 -0.695 . . . . 73.310000000000002 112.102 -178.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -59.48 -43.8 93.2 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 109.485 -0.561 . . . . 60.420000000000002 109.485 170.13 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.498 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 11.3 mmpt? -60.31 -61.07 2.87 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.826 0.704 . . . . 74.310000000000002 110.366 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.467 HD13 HD21 ' A' ' 4' ' ' LEU . 51.6 mt -55.76 -30.34 61.09 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.116 1.366 . . . . 60.210000000000001 111.962 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.2 -47.67 41.64 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 123.191 0.596 . . . . 50.32 111.252 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 36.5 mm-40 -68.29 -22.54 64.72 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.511 0.724 . . . . 74.099999999999994 111.525 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 44' ' ' LYS . 50.1 mt-10 -74.26 91.12 2.13 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.451 0.7 . . . . 74.5 111.034 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -85.37 -16.12 40.94 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.661 0.784 . . . . 73.109999999999999 109.963 169.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -66.58 142.45 57.48 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.603 0.761 . . . . 75.439999999999998 110.531 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -75.8 118.17 18.32 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.501 -0.772 . . . . 73.439999999999998 109.607 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -155.39 143.88 20.37 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.143 0.497 . . . . 52.119999999999997 110.501 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.593 ' HG2' HD12 ' A' ' 3' ' ' ILE . 18.0 mtmm -91.04 108.41 19.84 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 125.714 1.606 . . . . 64.25 109.306 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.9 mt -123.91 125.58 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 123.733 0.813 . . . . 72.209999999999994 109.766 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.6 HD13 HG11 ' A' ' 22' ' ' VAL . 16.0 tp -90.01 123.14 33.65 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.633 -1.247 . . . . 75.439999999999998 107.633 168.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.4 mm -95.24 120.23 44.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 109.115 -0.698 . . . . 53.450000000000003 109.115 173.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -92.98 122.31 35.21 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.813 1.245 . . . . 53.439999999999998 108.431 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.576 ' HB3' HD11 ' A' ' 64' ' ' LEU . 36.2 t -158.38 139.05 12.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.075 0.464 . . . . 54.509999999999998 110.131 175.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -100.01 -16.1 18.03 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.897 0.879 . . . . 54.340000000000003 110.201 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.28 131.6 42.61 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.234 0.614 . . . . 62.130000000000003 110.019 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG2' ' OD1' ' A' ' 8' ' ' ASN . 90.5 mttt -79.23 -29.14 42.6 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.652 1.181 . . . . 65.230000000000004 112.279 -171.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 14.0 mm100 -69.56 -39.93 77.11 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.073 0.549 . . . . 75.109999999999999 110.882 -177.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.51 HD13 HG12 ' A' ' 32' ' ' VAL . 92.3 mt -56.1 -39.73 72.6 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.721 0.808 . . . . 72.329999999999998 112.541 -176.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.6 mp -71.76 -30.82 65.99 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.307 0.643 . . . . 73.299999999999997 111.073 -177.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 50.8 mtpt -66.2 -49.96 65.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.101 0.561 . . . . 75.219999999999999 110.056 175.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 15.9 mm-40 -60.64 -36.55 78.95 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.0 0.92 . . . . 64.450000000000003 110.455 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.74 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 44.1 ttm -63.19 -49.34 74.63 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.261 -1.336 . . . . 64.019999999999996 110.497 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.478 HD23 HD12 ' A' ' 71' ' ' ILE . 90.5 mt -67.86 -20.72 65.17 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.756 0.823 . . . . 72.019999999999996 112.753 -175.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.7 -32.12 65.53 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.916 0.389 . . . . 64.040000000000006 110.456 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.3 mt -83.14 -35.4 25.6 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.621 0.768 . . . . 71.540000000000006 110.16 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.491 HG21 HG21 ' A' ' 78' ' ' VAL . 57.7 mt -67.76 -26.25 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.879 0.872 . . . . 74.349999999999994 110.538 177.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.5 t -55.28 -35.32 64.93 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.748 0.819 . . . . 64.129999999999995 111.452 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -75.71 -27.87 58.36 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.701 0.801 . . . . 73.409999999999997 111.174 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 71' ' ' ILE . 47.8 mt -84.28 -44.64 13.65 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.975 0.91 . . . . 63.130000000000003 110.908 -173.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.1 70.03 1.3 Allowed Glycine 0 C--N 1.349 1.291 0 CA-C-N 116.054 -0.521 . . . . 40.549999999999997 114.089 172.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -141.24 159.63 41.8 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.518 0.727 . . . . 74.430000000000007 110.244 172.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -70.61 114.6 8.88 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.943 0.897 . . . . 71.420000000000002 110.505 -175.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.491 HG21 HG21 ' A' ' 71' ' ' ILE . 60.1 t -110.7 139.93 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.093 0.957 . . . . 63.229999999999997 109.5 176.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -116.82 109.26 16.87 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.164 0.986 . . . . 54.299999999999997 109.123 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.468 HD23 HG21 ' A' ' 97' ' ' ILE . 17.6 tp -102.46 127.82 49.34 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.717 0.807 . . . . 74.400000000000006 110.091 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.8 tp -111.06 126.36 54.73 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.706 0.803 . . . . 70.099999999999994 109.333 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.617 ' HB3' HD22 ' A' ' 90' ' ' LEU . 95.1 mt -107.5 118.95 38.06 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.362 1.065 . . . . 72.430000000000007 108.307 174.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -132.24 110.31 10.54 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.99 0.516 . . . . 54.25 109.886 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -141.5 166.13 25.61 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 107.767 -1.197 . . . . 71.510000000000005 107.767 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.432 ' HG3' ' H ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -70.62 -6.86 39.9 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.173 0.589 . . . . 72.340000000000003 112.15 175.577 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -133.4 118.38 18.36 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.029 0.932 . . . . 71.430000000000007 110.351 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.77 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -80.65 -22.39 40.55 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.819 1.248 . . . . 74.230000000000004 112.223 -179.218 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.59 -49.28 71.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.784 0.834 . . . . 74.310000000000002 110.812 -173.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.44 -39.27 88.81 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.526 0.73 . . . . 63.420000000000002 110.585 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' A' ' 82' ' ' LEU . 81.7 mt -63.96 -38.95 92.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.907 0.483 . . . . 73.349999999999994 111.63 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.534 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 32.7 tt0 -69.76 -39.64 76.57 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 123.435 0.459 . . . . 64.329999999999998 109.77 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.36 -40.4 94.16 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 124.646 1.178 . . . . 72.439999999999998 109.766 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.75 -48.01 64.8 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.807 1.243 . . . . 53.240000000000002 111.033 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.451 ' HG3' ' HA ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -69.72 -18.62 63.54 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.862 0.465 . . . . 54.219999999999999 111.437 -173.061 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 27.6 mmm180 -64.81 -36.95 85.98 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.249 0.62 . . . . 75.310000000000002 111.195 175.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -62.24 -47.7 83.23 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.347 0.659 . . . . 72.219999999999999 110.456 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.468 HG21 HD23 ' A' ' 80' ' ' LEU . 34.2 mm -67.39 -38.92 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 114.879 -1.055 . . . . 74.219999999999999 110.574 -173.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.03 -31.22 64.31 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.838 1.255 . . . . 61.130000000000003 110.523 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.5 t -71.92 -21.37 61.63 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.088 0.555 . . . . 64.319999999999993 111.015 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -88.05 -3.37 58.91 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.603 0.761 . . . . 73.109999999999999 110.859 172.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.04 36.74 45.46 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.144 0.277 . . . . 53.219999999999999 113.388 177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -109.6 142.6 40.47 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.441 0.696 . . . . 75.430000000000007 109.979 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -74.23 113.73 11.76 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 123.818 0.847 . . . . 64.400000000000006 108.792 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.7 p -138.95 127.52 28.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 O-C-N 123.201 0.313 . . . . 64.430000000000007 111.311 -173.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -113.83 142.28 46.29 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.771 0.829 . . . . 54.130000000000003 110.02 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.77 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -109.58 123.9 50.23 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.964 1.305 . . . . 71.129999999999995 108.892 179.093 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.1 m -139.1 163.05 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 124.304 1.042 . . . . 74.5 109.531 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.5 p -128.23 -10.28 5.26 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.631 0.773 . . . . 51.450000000000003 112.347 178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -109.04 155.03 21.4 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.574 0.35 . . . . 54.439999999999998 110.795 -173.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.6 -60.47 2.69 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.767 1.227 . . . . 61.140000000000001 111.435 -175.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.26 -27.07 64.14 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 123.226 0.329 . . . . 72.299999999999997 110.115 -175.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.561 ' O ' HG12 ' A' ' 116' ' ' ILE . 9.0 tp10 -61.75 -48.24 81.59 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 123.937 0.773 . . . . 72.420000000000002 109.857 174.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.29 -48.78 76.65 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.173 0.589 . . . . 73.25 111.346 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 64.6 mt -55.15 -39.97 70.08 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.253 1.021 . . . . 70.439999999999998 111.386 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -62.52 -47.8 82.32 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.742 1.217 . . . . 72.310000000000002 110.434 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 112' ' ' GLU . 46.2 mm -68.7 -31.75 52.15 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 O-C-N 123.951 0.782 . . . . 75.129999999999995 111.258 -177.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 77.6 t -59.23 -47.04 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 123.472 0.709 . . . . 72.329999999999998 110.222 173.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -68.18 -36.46 79.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.091 -0.959 . . . . 73.319999999999993 110.965 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.78 -34.47 75.61 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.044 -0.525 . . . . 72.239999999999995 110.959 176.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -63.19 -38.78 92.51 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.037 0.535 . . . . 72.230000000000004 110.791 172.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 22' ' ' VAL . 77.3 mtm -73.0 -28.51 62.42 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.726 0.639 . . . . 53.329999999999998 112.726 -177.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.94 -34.72 44.18 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.588 0.631 . . . . 64.239999999999995 110.485 177.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.37 -30.18 68.12 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 122.941 0.496 . . . . 75.239999999999995 110.247 171.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.611 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -77.11 -29.24 54.73 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.4 -0.818 . . . . 73.5 110.685 177.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -65.32 -24.23 70.53 Favored Glycine 0 C--N 1.349 1.265 0 N-CA-C 112.189 -0.364 . . . . 73.400000000000006 112.189 174.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.9 t -72.71 -21.88 60.98 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.246 1.018 . . . . 72.430000000000007 110.569 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.96 -14.84 58.29 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.879 0.871 . . . . 73.209999999999994 111.283 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.1 -27.95 69.74 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.49 0.662 . . . . 64.409999999999997 109.968 172.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -81.01 140.88 34.9 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 107.852 -1.166 . . . . 75.450000000000003 107.852 170.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -55.48 102.43 0.07 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.594 0.758 . . . . 75.019999999999996 111.17 -175.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -93.1 113.75 26.09 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.615 0.766 . . . . 73.25 109.123 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -74.47 121.89 22.18 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.74 0.816 . . . . 73.349999999999994 110.657 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -118.22 160.65 21.22 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 108.3 -1.0 . . . . 74.25 108.3 168.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 . . . . . 0 CA--C 1.558 1.257 0 N-CA-C 109.298 -0.631 . . . . 65.109999999999999 109.298 174.815 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.731 -0.47 . . . . 74.430000000000007 109.731 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.613 ' HZ1' ' HA ' ' A' ' 45' ' ' LEU . 69.2 tttt -158.87 134.46 8.69 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.049 -1.093 . . . . 52.240000000000002 108.049 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.414 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 68.4 mt -107.7 123.29 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 122.851 0.46 . . . . 72.530000000000001 110.137 -175.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.412 HD21 HD22 ' A' ' 45' ' ' LEU . 11.1 mp -118.98 141.94 48.22 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 108.62 -0.881 . . . . 74.239999999999995 108.62 171.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 40.9 mt -124.75 112.35 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 107.12 -1.437 . . . . 71.140000000000001 107.12 167.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' HB2' HD13 ' A' ' 80' ' ' LEU . 81.8 mt -88.2 137.04 32.68 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.459 -0.941 . . . . 63.100000000000001 108.459 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.4 mm -127.95 115.83 40.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 108.112 -1.07 . . . . 64.099999999999994 108.112 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -127.94 103.55 7.31 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 107.588 -1.264 . . . . 73.329999999999998 107.588 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 8.1 t -129.43 145.35 51.43 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.254 -0.884 . . . . 72.430000000000007 109.948 174.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -73.53 -19.59 60.87 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 115.225 -0.898 . . . . 73.510000000000005 111.061 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -109.51 115.3 29.66 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.26 0.552 . . . . 74.319999999999993 110.369 173.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.74 -19.44 64.34 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.46 0.704 . . . . 73.540000000000006 111.498 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -55.54 -38.47 69.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.273 0.629 . . . . 65.099999999999994 110.923 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 110' ' ' ASP . 19.4 tp -64.69 -44.86 88.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.105 -0.952 . . . . 63.140000000000001 111.229 176.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.521 HG21 ' HD2' ' A' ' 57' ' ' LYS . 57.2 mt -60.16 -41.29 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.796 0.438 . . . . 60.039999999999999 110.747 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.508 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 10.5 mtmp? -61.57 -26.9 68.25 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.568 0.542 . . . . 65.25 112.129 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.55 ' HE3' ' HB3' ' A' ' 110' ' ' ASP . 36.7 mtmm -78.93 -46.43 18.4 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.808 0.443 . . . . 64.109999999999999 111.413 170.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.18 -32.15 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.207 1.003 . . . . 72.030000000000001 111.254 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 28.9 mtpp -57.45 -53.17 61.21 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.418 -0.81 . . . . 64.329999999999998 109.608 174.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -65.23 -34.13 77.62 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.628 -0.715 . . . . 75.519999999999996 111.017 -175.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.56 -53.89 53.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.597 0.759 . . . . 74.409999999999997 110.275 174.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.526 HG11 HD13 ' A' ' 55' ' ' LEU . 19.2 m -76.37 -17.5 15.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 N-CA-C 112.531 0.567 . . . . 60.329999999999998 112.531 -173.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 28.9 mm-40 -62.36 -33.1 74.08 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 122.406 0.282 . . . . 62.539999999999999 111.506 174.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -59.62 -29.48 68.04 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.379 0.672 . . . . 63.109999999999999 112.058 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -110.37 8.65 23.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.539 0.736 . . . . 70.409999999999997 112.755 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.14 38.32 59.35 Favored Glycine 0 C--N 1.344 0.976 0 N-CA-C 114.425 0.53 . . . . 75.530000000000001 114.425 170.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -79.82 157.65 26.98 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 121.105 0.479 . . . . 74.230000000000004 110.423 172.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -106.0 113.94 27.79 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.821 1.248 . . . . 70.040000000000006 108.023 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.8 t -89.56 124.36 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-O 120.917 0.389 . . . . 64.140000000000001 110.407 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HE ' ' HB3' ' A' ' 41' ' ' GLU . 23.8 tpt180 -128.04 118.88 24.29 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.737 1.215 . . . . 73.450000000000003 108.568 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -100.91 120.97 40.94 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.444 0.64 . . . . 75.409999999999997 110.829 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.425 HG22 ' HG2' ' A' ' 41' ' ' GLU . 42.4 t -88.3 114.1 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 125.118 1.367 . . . . 65.140000000000001 109.066 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.458 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 6.0 m120 -91.59 -24.13 19.67 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.459 0.704 . . . . 64.230000000000004 111.884 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -161.2 172.15 17.19 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.299 0.639 . . . . 54.329999999999998 109.954 -171.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.3 p -63.25 -27.6 69.45 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.591 0.756 . . . . 64.439999999999998 111.757 176.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.92 -50.44 68.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.736 0.815 . . . . 74.420000000000002 109.1 172.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 57.5 mm-40 -59.48 -33.28 71.13 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.918 -1.037 . . . . 74.540000000000006 111.109 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 67' ' ' MET . 36.3 tp -62.58 -56.19 20.22 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 123.749 0.656 . . . . 73.230000000000004 110.639 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -65.79 -29.02 69.46 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 111.599 0.222 . . . . 73.239999999999995 111.599 -177.459 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.76 -51.64 68.88 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.871 0.468 . . . . 65.5 111.138 174.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.559 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.17 -24.02 40.66 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.263 -0.426 . . . . 51.439999999999998 111.203 -178.06 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.536 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 40.8 mmm -65.09 -30.48 71.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.984 0.514 . . . . 73.430000000000007 110.979 174.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.1 -35.61 76.64 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.744 0.307 . . . . 73.239999999999995 110.481 170.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -70.36 -27.31 64.24 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.885 0.474 . . . . 72.129999999999995 110.562 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.613 ' HA ' ' HZ1' ' A' ' 2' ' ' LYS . 76.9 mt -83.54 -43.49 15.66 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.717 0.807 . . . . 62.329999999999998 111.44 178.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.57 -51.08 5.43 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.07 0.767 . . . . 72.510000000000005 113.07 -168.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.46 -46.43 76.41 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.688 -0.856 . . . . 72.030000000000001 108.688 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' HB3' ' ND2' ' A' ' 50' ' ' ASN . 10.6 mm-40 -95.82 102.63 14.44 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.044 -0.98 . . . . 51.340000000000003 109.922 175.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -102.52 17.36 23.84 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.817 -0.628 . . . . 55.210000000000001 109.759 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.43 ' ND2' ' HB3' ' A' ' 48' ' ' GLU . 8.7 p30 -62.94 150.61 41.71 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.147 0.579 . . . . 75.409999999999997 109.748 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.08 107.16 1.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 109.879 -0.415 . . . . 52.340000000000003 109.879 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -146.15 142.2 28.24 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 123.654 0.782 . . . . 71.010000000000005 108.935 175.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 53.8 mtmt -99.72 112.98 25.17 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.149 0.98 . . . . 72.109999999999999 108.37 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.7 121.08 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 O-C-N 123.359 0.412 . . . . 61.509999999999998 110.442 -176.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.526 HD13 HG11 ' A' ' 22' ' ' VAL . 19.3 tp -84.18 108.39 17.05 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 108.09 -1.078 . . . . 74.340000000000003 108.09 167.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.408 ' HB ' HD23 ' A' ' 6' ' ' LEU . 35.5 mm -91.42 121.93 42.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.896 0.379 . . . . 75.319999999999993 110.135 176.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.521 ' HD2' HG21 ' A' ' 15' ' ' ILE . 64.3 tttt -93.37 143.54 26.18 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.073 -1.084 . . . . 64.349999999999994 108.073 162.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.414 ' HB3' HD11 ' A' ' 64' ' ' LEU . 34.4 t -153.84 127.77 8.9 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.917 -0.771 . . . . 73.209999999999994 108.917 169.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -74.47 -37.49 63.18 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.965 0.791 . . . . 73.400000000000006 110.175 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -84.68 128.18 34.47 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.9 -0.591 . . . . 71.310000000000002 109.494 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -79.7 -26.62 40.85 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.346 1.058 . . . . 74.510000000000005 111.613 -170.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 24.5 mm-40 -72.32 -38.41 68.67 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.596 0.358 . . . . 73.219999999999999 110.61 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.473 HD22 HD22 ' A' ' 38' ' ' LEU . 83.3 mt -53.1 -32.77 49.03 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 124.21 0.944 . . . . 75.109999999999999 112.786 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.414 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.1 mp -65.23 -43.43 91.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.266 0.627 . . . . 73.150000000000006 111.123 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -66.4 -45.73 78.98 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.573 0.545 . . . . 73.430000000000007 110.481 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 6.4 mm-40 -64.75 -31.37 72.57 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.91 0.884 . . . . 74.129999999999995 111.007 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.536 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 41.5 ttm -69.64 -54.51 13.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.033 0.933 . . . . 64.150000000000006 110.13 175.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.461 HD23 HD12 ' A' ' 71' ' ' ILE . 81.1 mt -60.9 -31.57 71.07 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.049 0.94 . . . . 73.340000000000003 112.053 -175.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.16 -47.14 69.03 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.772 1.229 . . . . 75.519999999999996 110.266 175.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.1 mt -81.21 -31.89 33.72 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.107 -0.951 . . . . 62.350000000000001 111.459 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.538 HG21 HG21 ' A' ' 78' ' ' VAL . 50.7 mt -61.63 -30.43 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 123.897 0.879 . . . . 62.119999999999997 111.33 176.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.3 t -56.4 -31.84 64.25 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.566 0.746 . . . . 72.5 112.016 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' NZ ' ' HB3' ' A' ' 73' ' ' LYS . 8.2 mtpm? -75.69 -35.94 60.19 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.88 -0.6 . . . . 63.450000000000003 111.467 176.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.42 -35.29 77.42 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.392 0.677 . . . . 63.240000000000002 111.366 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.74 76.15 0.52 Allowed Glycine 0 C--N 1.347 1.17 0 CA-C-N 115.286 -0.87 . . . . 75.420000000000002 113.46 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -151.89 168.76 24.13 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.447 0.699 . . . . 75.310000000000002 109.951 171.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -86.44 123.18 31.38 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.411 0.684 . . . . 72.109999999999999 109.361 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.538 HG21 HG21 ' A' ' 71' ' ' ILE . 43.2 t -119.58 144.45 28.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 124.519 1.127 . . . . 63.25 109.375 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -106.8 155.9 19.23 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.392 1.077 . . . . 73.019999999999996 108.387 172.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' A' ' 6' ' ' LEU . 15.0 tp -147.93 131.74 17.02 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.129 0.572 . . . . 74.430000000000007 109.743 176.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.482 HD21 ' HB1' ' A' ' 113' ' ' ALA . 40.8 tp -121.56 124.03 43.39 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.207 -0.906 . . . . 74.319999999999993 108.744 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.59 ' HB3' HD22 ' A' ' 90' ' ' LEU . 74.7 mt -110.91 125.98 54.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.634 -1.166 . . . . 71.540000000000006 108.157 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -138.37 121.5 16.84 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 121.064 0.459 . . . . 74.540000000000006 110.168 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' N ' HD11 ' A' ' 90' ' ' LEU . 35.6 t0 -168.6 150.91 5.06 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 107.06 -1.459 . . . . 72.420000000000002 107.06 -176.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -65.45 -34.84 79.24 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 123.735 0.647 . . . . 75.239999999999995 109.312 176.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.79 83.54 7.68 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 115.589 -0.732 . . . . 72.230000000000004 109.254 171.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.765 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 9.7 pt-20 -75.24 -21.19 58.78 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 114.814 -1.084 . . . . 71.329999999999998 112.074 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -62.43 -39.22 92.62 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.875 0.87 . . . . 73.109999999999999 110.519 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.4 -46.73 88.93 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.73 -1.123 . . . . 65.340000000000003 109.94 173.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 82' ' ' LEU . 45.4 mt -70.14 -28.09 65.07 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 114.741 -1.118 . . . . 51.43 111.436 -175.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' HA ' ' HG3' ' A' ' 94' ' ' LYS . 46.6 mt-10 -70.85 -48.41 54.06 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.488 0.493 . . . . 71.430000000000007 110.055 177.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.461 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 3.5 mm-40 -58.18 -37.26 74.4 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.655 0.597 . . . . 73.329999999999998 110.847 174.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -57.5 10.91 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.401 1.08 . . . . 74.450000000000003 109.6 177.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -71.26 -24.77 62.23 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.674 0.62 . . . . 64.299999999999997 112.674 -170.509 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -66.16 -34.75 78.75 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.701 0.4 . . . . 71.409999999999997 111.118 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 13.6 mptt -73.58 -52.99 11.59 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.91 0.484 . . . . 75.230000000000004 109.815 175.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.508 HG22 ' HB2' ' A' ' 102' ' ' TYR . 40.1 mm -61.71 -42.03 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 123.778 0.831 . . . . 75.129999999999995 111.872 -173.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.68 -41.77 95.82 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.612 0.765 . . . . 72.409999999999997 109.994 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.5 t -65.81 -28.66 69.16 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.326 0.65 . . . . 70.0 111.179 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 49.0 mt-30 -80.37 -5.39 56.36 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.889 0.876 . . . . 70.140000000000001 111.695 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.17 45.21 4.5 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.194 0.309 . . . . 45.020000000000003 112.735 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.508 ' HB2' HG22 ' A' ' 97' ' ' ILE . 92.9 m-85 -124.54 151.06 45.17 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.458 0.703 . . . . 71.109999999999999 109.699 175.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -80.38 115.27 19.83 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.249 -1.019 . . . . 74.329999999999998 108.249 172.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.453 HG23 ' HG ' ' A' ' 80' ' ' LEU . 4.8 p -139.34 136.37 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 122.902 0.481 . . . . 51.210000000000001 110.074 -178.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -129.15 146.66 51.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.104 0.562 . . . . 73.109999999999999 110.001 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.765 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.8 OUTLIER -112.19 119.06 37.07 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.773 -1.103 . . . . 55.210000000000001 108.315 -179.734 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.6 m -129.77 -176.8 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.519 1.128 . . . . 74.040000000000006 109.255 175.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.1 p -131.34 -57.19 1.01 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.353 0.661 . . . . 45.0 110.343 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.72 159.16 22.63 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.388 0.675 . . . . 73.030000000000001 111.968 -171.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.55 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . 6.6 m-20 -62.78 -59.36 4.98 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 124.68 1.192 . . . . 71.420000000000002 112.832 -176.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.32 -21.34 58.5 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.771 0.319 . . . . 75.230000000000004 111.057 -171.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.35 -47.75 75.36 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.214 -0.903 . . . . 73.340000000000003 110.024 169.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.482 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -62.07 -39.33 92.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.082 -0.963 . . . . 65.530000000000001 111.885 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.2 -36.78 75.97 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.442 0.697 . . . . 72.040000000000006 111.986 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -59.24 -44.22 92.37 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.113 0.565 . . . . 65.340000000000003 110.524 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 22.2 mm -72.48 -32.73 42.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.07 -0.968 . . . . 73.150000000000006 110.786 -175.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 86.1 t -60.93 -47.64 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.202 0.601 . . . . 74.310000000000002 109.587 172.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.453 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 97.4 mtt180 -60.83 -37.89 83.6 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 123.928 0.767 . . . . 73.019999999999996 110.882 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.444 ' HB3' ' HE2' ' A' ' 123' ' ' LYS . 29.8 mm-40 -61.7 -48.49 80.53 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.697 0.623 . . . . 74.519999999999996 110.471 174.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -60.78 -30.13 69.86 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.264 0.626 . . . . 71.109999999999999 111.803 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 77.4 mtp -75.78 -27.48 58.02 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.803 0.841 . . . . 63.210000000000001 111.202 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 22.5 mm-40 -73.74 -42.73 60.72 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.483 0.659 . . . . 75.310000000000002 109.28 175.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.444 ' HE2' ' HB3' ' A' ' 119' ' ' GLU . 53.2 mttm -69.3 -39.89 78.01 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 114.243 -1.344 . . . . 71.120000000000005 110.594 -177.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.0 -31.77 66.55 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.78 -0.645 . . . . 60.210000000000001 110.239 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -60.96 -36.75 92.7 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 115.729 -0.668 . . . . 73.450000000000003 111.629 171.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.1 m -75.4 -24.04 57.12 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.63 0.772 . . . . 55.210000000000001 111.602 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 96.7 mt -75.69 -50.64 14.78 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.915 0.486 . . . . 75.040000000000006 110.447 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.78 -45.8 84.8 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.711 -0.677 . . . . 74.349999999999994 110.485 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -91.29 75.98 6.04 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 106.558 -1.645 . . . . 74.230000000000004 106.558 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -71.46 80.8 0.78 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 108.722 -0.844 . . . . 74.019999999999996 108.722 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -82.76 148.64 27.71 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.385 -1.279 . . . . 74.140000000000001 110.375 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -71.0 152.15 43.89 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.498 0.719 . . . . 74.349999999999994 111.093 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -124.24 167.31 14.47 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.925 0.89 . . . . 71.439999999999998 109.268 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.78 -0.629 . . . . 74.230000000000004 109.571 175.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 108.305 -0.998 . . . . 62.119999999999997 108.305 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -129.12 148.13 51.03 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.722 -0.844 . . . . 70.409999999999997 108.722 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.0 mt -91.75 105.65 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 108.201 -1.037 . . . . 71.209999999999994 108.201 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 mp -107.95 135.65 48.97 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.664 -0.865 . . . . 71.200000000000003 108.664 174.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.1 mt -123.66 111.12 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 107.62 -1.252 . . . . 74.129999999999995 107.62 169.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.585 HD21 ' SD ' ' A' ' 67' ' ' MET . 88.1 mt -89.89 129.73 36.21 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.371 0.668 . . . . 74.439999999999998 109.308 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.4 mm -117.92 117.98 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 108.615 -0.884 . . . . 63.340000000000003 108.615 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -129.87 102.57 6.36 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.609 -0.885 . . . . 51.450000000000003 108.609 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t -129.81 147.8 51.62 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.058 0.943 . . . . 61.240000000000002 110.047 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -62.09 -49.16 77.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.594 0.758 . . . . 73.209999999999994 109.898 176.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -86.41 117.1 24.99 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 121.165 0.507 . . . . 71.209999999999994 110.278 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -69.06 -27.25 65.47 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.163 0.985 . . . . 62.32 112.043 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.49 -29.81 68.11 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.694 0.798 . . . . 75.409999999999997 112.013 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.64 -41.05 93.05 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.256 -0.429 . . . . 71.150000000000006 111.323 177.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.545 HG21 ' HG2' ' A' ' 57' ' ' LYS . 33.3 mt -60.9 -37.28 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 123.291 0.369 . . . . 74.329999999999998 110.175 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -56.82 -39.47 74.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.001 0.92 . . . . 54.240000000000002 111.211 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -69.24 -47.79 63.72 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.147 -0.933 . . . . 74.150000000000006 110.102 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.69 -35.56 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.507 1.123 . . . . 55.509999999999998 111.017 -176.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -61.78 -56.59 17.86 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 115.557 -0.747 . . . . 72.129999999999995 110.038 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -68.75 -24.19 64.42 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.482 0.489 . . . . 54.409999999999997 111.536 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -62.06 -50.83 70.43 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.079 0.952 . . . . 74.109999999999999 110.435 173.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.432 HG12 ' SD ' ' A' ' 121' ' ' MET . 32.4 m -84.32 -25.79 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 115.718 -0.674 . . . . 71.230000000000004 112.465 -175.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -68.06 -28.12 67.1 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.466 0.706 . . . . 54.130000000000003 111.12 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -54.36 -40.38 68.03 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.239 0.616 . . . . 71.409999999999997 110.049 170.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -97.67 11.54 36.72 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 114.791 -1.095 . . . . 75.549999999999997 112.696 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.28 37.61 27.7 Favored Glycine 0 C--N 1.346 1.131 0 N-CA-C 114.234 0.454 . . . . 73.439999999999998 114.234 171.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -89.78 122.79 33.19 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.807 0.443 . . . . 73.310000000000002 109.96 172.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -78.2 113.25 15.98 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.153 0.981 . . . . 62.119999999999997 109.284 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 55' ' ' LEU . 38.1 t -94.72 134.49 31.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 122.807 0.443 . . . . 60.539999999999999 110.386 -175.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -142.99 150.91 40.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.572 1.149 . . . . 73.0 108.242 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -116.93 150.09 39.08 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.871 0.868 . . . . 64.439999999999998 110.604 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.3 t -95.68 122.45 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 N-CA-C 108.262 -1.014 . . . . 42.539999999999999 108.262 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.615 ' HB2' ' HG3' ' A' ' 37' ' ' GLU . 40.9 m-80 -103.61 -11.08 17.93 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 122.921 0.489 . . . . 73.239999999999995 111.802 -179.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -173.28 170.21 4.32 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.619 0.768 . . . . 75.129999999999995 109.922 -178.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 t -62.41 -27.09 68.86 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.753 0.821 . . . . 71.340000000000003 110.895 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.45 -50.05 66.84 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.227 1.011 . . . . 72.430000000000007 109.231 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.615 ' HG3' ' HB2' ' A' ' 33' ' ' ASN . 16.4 mm-40 -63.06 -37.11 85.9 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 114.729 -1.123 . . . . 74.109999999999999 110.762 177.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.447 ' O ' ' HG2' ' A' ' 42' ' ' MET . 49.7 tp -58.25 -53.17 61.26 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 124.75 1.281 . . . . 64.230000000000004 110.759 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -69.06 -29.47 67.61 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 111.807 0.299 . . . . 73.510000000000005 111.807 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -59.06 -50.55 73.66 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 123.32 0.387 . . . . 65.400000000000006 110.531 172.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 6.1 pt-20 -77.36 -19.0 56.88 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.954 -0.546 . . . . 44.229999999999997 111.375 -179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.697 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 83.9 mmm -66.8 -28.96 68.8 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 118.4 0.546 . . . . 74.200000000000003 110.868 170.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -38.29 88.59 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 117.331 0.06 . . . . 74.409999999999997 111.137 167.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.65 -41.23 92.82 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 120.915 0.388 . . . . 74.230000000000004 110.418 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 56.0 mt -77.93 -46.23 21.79 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.751 0.82 . . . . 54.420000000000002 111.561 -175.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.56 -49.89 6.06 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.262 0.625 . . . . 71.420000000000002 112.576 -171.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -78.89 -47.45 16.49 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 120.63 0.252 . . . . 65.019999999999996 110.662 -172.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -82.78 76.69 9.61 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.852 0.834 . . . . 64.340000000000003 109.437 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -80.76 86.19 6.0 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.509 -1.223 . . . . 75.120000000000005 109.284 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -136.73 130.83 32.6 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 107.574 -1.269 . . . . 71.400000000000006 107.574 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -65.28 117.42 7.81 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.889 0.475 . . . . 55.409999999999997 109.908 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -160.22 168.19 25.94 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.33 0.652 . . . . 55.109999999999999 110.659 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -100.41 122.65 43.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.272 1.029 . . . . 63.439999999999998 109.895 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.9 mt -133.2 129.69 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.716 0.807 . . . . 64.230000000000004 109.812 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.426 ' HB3' HG22 ' A' ' 29' ' ' VAL . 26.3 tp -106.66 129.5 54.55 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 108.067 -1.086 . . . . 60.329999999999998 108.067 167.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.404 ' HB ' HD23 ' A' ' 6' ' ' LEU . 48.6 mm -108.74 128.12 64.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 109.517 -0.549 . . . . 74.239999999999995 109.517 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.545 ' HG2' HG21 ' A' ' 15' ' ' ILE . 13.9 tmtt? -97.7 130.45 44.68 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 124.978 1.311 . . . . 74.25 108.207 177.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.539 ' HB3' HD11 ' A' ' 64' ' ' LEU . 46.8 t -161.5 149.8 15.5 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.317 -0.623 . . . . 63.509999999999998 109.317 172.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -115.73 10.26 15.38 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.936 0.894 . . . . 71.209999999999994 109.384 173.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -119.18 104.13 10.15 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.272 1.029 . . . . 74.439999999999998 109.408 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -58.89 -24.91 62.86 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.493 1.117 . . . . 72.340000000000003 112.224 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.538 ' HA ' ' HD3' ' A' ' 65' ' ' LYS . 16.0 mm100 -61.43 -46.05 91.75 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.824 1.25 . . . . 71.209999999999994 111.92 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.0 mt -64.91 -33.29 75.68 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 114.895 -1.048 . . . . 72.219999999999999 110.824 -178.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD11 ' HB3' ' A' ' 58' ' ' SER . 8.5 mp -70.87 -36.94 73.03 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.764 -0.653 . . . . 54.399999999999999 110.819 177.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.538 ' HD3' ' HA ' ' A' ' 62' ' ' GLN . 59.2 mtpt -57.95 -55.74 31.03 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.115 0.566 . . . . 73.340000000000003 110.457 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.81 -36.97 77.86 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 124.255 0.972 . . . . 75.329999999999998 111.278 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.697 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 46.6 ttm -62.32 -52.23 64.49 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.136 -0.938 . . . . 72.439999999999998 110.378 176.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.506 HD23 HD12 ' A' ' 71' ' ' ILE . 88.1 mt -68.66 -24.82 64.58 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.375 1.07 . . . . 72.109999999999999 112.215 -174.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 69.8 mm-40 -61.69 -42.28 98.71 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.178 0.513 . . . . 64.430000000000007 109.999 173.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.7 mt -83.72 -27.0 29.27 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.749 0.82 . . . . 75.239999999999995 111.956 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.506 HD12 HD23 ' A' ' 68' ' ' LEU . 81.0 mt -70.69 -29.93 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.106 0.562 . . . . 74.299999999999997 110.163 173.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.7 t -58.34 -25.42 61.93 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.473 0.709 . . . . 61.310000000000002 111.677 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -74.68 -34.21 62.62 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.554 0.742 . . . . 75.400000000000006 110.16 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 71' ' ' ILE . 40.4 mt -79.43 -49.91 11.61 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.394 1.078 . . . . 54.109999999999999 111.646 -174.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.15 89.16 0.31 Allowed Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.048 -0.524 . . . . 64.540000000000006 113.122 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -161.02 173.7 14.84 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.638 0.775 . . . . 75.319999999999993 110.899 172.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -71.89 111.38 7.1 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 115.246 -0.888 . . . . 53.039999999999999 111.353 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 71' ' ' ILE . 63.6 t -112.25 124.66 69.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 N-CA-C 107.522 -1.288 . . . . 74.0 107.522 166.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -101.33 107.27 18.58 Favored 'General case' 0 C--O 1.226 -0.169 0 N-CA-C 108.205 -1.035 . . . . 73.219999999999999 108.205 -177.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.418 HD23 HG21 ' A' ' 97' ' ' ILE . 22.7 tp -104.49 132.12 51.09 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.579 -0.526 . . . . 74.329999999999998 109.579 -177.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.417 HD21 ' HB1' ' A' ' 113' ' ' ALA . 43.0 tp -123.67 126.84 47.3 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.297 -0.865 . . . . 70.129999999999995 109.006 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.549 HD11 ' HD2' ' A' ' 93' ' ' PHE . 71.0 mt -111.37 142.26 43.84 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.202 1.001 . . . . 73.409999999999997 108.446 174.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -147.63 123.97 10.93 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.896 0.379 . . . . 52.450000000000003 111.089 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -178.03 155.75 0.99 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.669 1.588 . . . . 74.439999999999998 107.821 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -62.21 -39.03 91.38 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.573 0.749 . . . . 75.040000000000006 111.5 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.84 90.53 4.08 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 107.819 -1.178 . . . . 72.019999999999996 107.819 176.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.464 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 11.8 pt-20 -66.29 -22.77 66.3 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.926 -1.033 . . . . 73.0 111.289 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -76.31 -37.88 56.82 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 124.194 0.998 . . . . 74.109999999999999 110.972 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -49.5 77.22 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 108.179 -1.045 . . . . 74.439999999999998 108.179 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 82' ' ' LEU . 70.7 mt -69.52 -33.89 73.48 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 113.821 -1.536 . . . . 70.540000000000006 111.546 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.435 ' HG2' ' HD2' ' A' ' 95' ' ' ARG . 36.1 tt0 -61.48 -51.55 68.22 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 123.414 0.446 . . . . 71.299999999999997 109.869 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.452 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 12.0 mm-40 -54.2 -36.16 63.16 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.124 0.89 . . . . 72.450000000000003 111.756 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.549 ' HD2' HD11 ' A' ' 82' ' ' LEU . 54.2 t80 -66.98 -56.37 10.43 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.557 -0.747 . . . . 75.340000000000003 110.64 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.462 ' HG2' ' HB2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -75.21 -19.48 59.76 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.539 -0.755 . . . . 64.549999999999997 112.743 -167.624 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.435 ' HD2' ' HG2' ' A' ' 91' ' ' GLU . 63.7 mtp180 -61.55 -46.66 88.99 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.502 0.501 . . . . 74.219999999999999 109.953 175.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HD3' ' O ' ' A' ' 92' ' ' GLU . 1.1 mptm? -71.79 -39.85 69.63 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.692 0.797 . . . . 62.130000000000003 110.342 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.525 HG22 ' HB2' ' A' ' 102' ' ' TYR . 50.6 mm -64.64 -38.45 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.36 0.664 . . . . 63.200000000000003 110.922 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.74 -36.06 82.51 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.749 0.82 . . . . 74.400000000000006 109.572 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.8 m -70.79 -28.61 64.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.201 0.601 . . . . 62.299999999999997 111.169 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 96.4 mt-30 -74.03 -18.1 60.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.048 0.539 . . . . 72.209999999999994 110.684 175.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.26 42.01 2.29 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.426 0.454 . . . . 72.5 112.738 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.525 ' HB2' HG22 ' A' ' 97' ' ' ILE . 76.1 m-85 -117.71 138.48 51.98 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.976 0.51 . . . . 73.400000000000006 110.87 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -73.99 101.01 3.71 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 108.049 -1.093 . . . . 75.239999999999995 108.049 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.4 p -133.96 134.59 55.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-N 116.131 -0.486 . . . . 72.430000000000007 110.657 -171.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -129.07 149.62 50.81 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.546 0.738 . . . . 73.0 109.672 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.464 ' HD3' ' HB2' ' A' ' 87' ' ' GLU . 0.5 OUTLIER -116.55 126.23 53.01 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.89 1.276 . . . . 60.450000000000003 108.342 -179.641 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.13 175.47 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.723 0.809 . . . . 74.319999999999993 110.106 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 55.0 p -127.62 -34.8 2.18 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.586 0.754 . . . . 65.400000000000006 110.653 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.46 149.01 21.56 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.119 0.568 . . . . 72.439999999999998 110.366 -176.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.71 -48.04 67.67 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.071 0.948 . . . . 73.219999999999999 110.72 175.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.45 -41.06 84.26 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 115.179 -0.919 . . . . 52.439999999999998 111.259 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -66.22 -43.47 86.56 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.342 1.057 . . . . 74.010000000000005 110.713 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -58.33 -44.85 88.88 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 124.098 0.874 . . . . 55.340000000000003 111.822 -179.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.47 -34.36 77.6 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 124.099 0.874 . . . . 73.239999999999995 111.895 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -62.61 -45.83 91.06 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.798 0.686 . . . . 53.049999999999997 109.699 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.9 mm -68.59 -32.84 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.357 0.663 . . . . 73.140000000000001 111.284 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 113' ' ' ALA . 69.2 t -60.47 -50.23 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.179 0.592 . . . . 71.430000000000007 109.673 173.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 82.7 mtt180 -61.66 -33.16 73.48 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.492 -0.776 . . . . 75.209999999999994 110.363 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -64.13 -52.45 59.07 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 123.787 0.68 . . . . 75.540000000000006 110.444 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.413 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 14.1 m-85 -53.57 -35.2 60.53 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.927 0.891 . . . . 65.409999999999997 112.082 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.432 ' SD ' HG12 ' A' ' 22' ' ' VAL . 89.2 mtp -76.45 -21.78 55.45 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.098 0.959 . . . . 64.319999999999993 111.651 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 22.7 mm-40 -72.79 -42.07 64.31 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 109.82 -0.437 . . . . 72.430000000000007 109.82 171.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 3.0 mptp? -64.62 -40.93 96.36 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 109.471 -0.566 . . . . 71.129999999999995 109.471 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 127' ' ' LEU . . . -64.61 -37.44 87.57 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.854 0.862 . . . . 72.239999999999995 110.672 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.65 94.18 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.302 -0.863 . . . . 70.030000000000001 112.272 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.2 m -63.91 -27.58 69.25 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.422 0.689 . . . . 64.120000000000005 111.869 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 124' ' ' ALA . 69.8 mt -68.12 -40.35 82.55 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.441 0.696 . . . . 63.130000000000003 110.281 176.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -77.15 -24.72 51.56 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 114.706 -1.133 . . . . 75.430000000000007 111.127 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -72.32 81.9 1.03 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.089 -1.078 . . . . 74.510000000000005 108.089 170.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -83.35 127.24 33.51 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.354 -0.839 . . . . 70.439999999999998 109.938 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -75.28 12.53 0.92 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.591 0.757 . . . . 73.400000000000006 112.416 -176.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -68.7 92.15 0.46 Allowed 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 108.133 -1.062 . . . . 73.430000000000007 108.133 167.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -59.62 122.34 13.86 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.335 1.054 . . . . 72.010000000000005 111.58 -174.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 . . . . . 0 CA--C 1.55 0.951 0 C-N-CA 123.89 0.876 . . . . 64.409999999999997 108.996 176.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.331 -0.618 . . . . 64.310000000000002 109.331 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -148.56 153.02 37.8 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 109.407 -0.59 . . . . 72.530000000000001 109.407 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.501 HD12 ' HG2' ' A' ' 53' ' ' LYS . 75.4 mt -92.75 115.75 32.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 C-N-CA 123.715 0.806 . . . . 70.019999999999996 109.254 174.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.778 HD21 HD13 ' A' ' 45' ' ' LEU . 11.0 mp -112.96 133.64 54.83 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.262 -1.014 . . . . 72.230000000000004 108.262 166.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.435 HG12 ' HB2' ' A' ' 79' ' ' PHE . 37.3 mt -120.77 110.55 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 107.499 -1.297 . . . . 75.230000000000004 107.499 166.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.658 HD21 ' SD ' ' A' ' 67' ' ' MET . 88.6 mt -86.74 137.82 32.13 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.571 0.748 . . . . 64.209999999999994 109.011 178.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -122.88 116.99 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 108.006 -1.109 . . . . 65.329999999999998 108.006 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.422 ' HB3' HD23 ' A' ' 82' ' ' LEU . 27.3 t30 -127.79 101.0 6.17 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.667 -1.234 . . . . 63.450000000000003 107.667 171.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.2 t -130.97 146.23 52.3 Favored 'General case' 0 C--O 1.244 0.763 0 C-N-CA 123.914 0.886 . . . . 73.209999999999994 109.845 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -62.56 -43.84 97.82 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.505 0.722 . . . . 73.230000000000004 111.228 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -91.81 114.3 26.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.09 0.556 . . . . 72.409999999999997 110.348 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.37 -31.53 71.42 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.642 1.177 . . . . 74.420000000000002 112.057 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.71 -31.68 68.49 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.951 0.9 . . . . 73.129999999999995 112.034 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 18' ' ' ILE . 45.6 tp -66.97 -40.07 87.38 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.496 0.719 . . . . 73.120000000000005 110.619 175.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.56 HD13 ' HG3' ' A' ' 57' ' ' LYS . 34.0 mt -62.86 -41.34 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 122.728 0.411 . . . . 54.420000000000002 110.6 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -51.37 -36.3 42.62 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.882 0.873 . . . . 72.099999999999994 111.247 177.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -77.68 -44.12 29.04 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.22 1.008 . . . . 72.219999999999999 111.114 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.487 HG12 HG21 ' A' ' 117' ' ' VAL . 74.6 mt -62.79 -29.44 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.118 0.967 . . . . 75.129999999999995 111.064 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.551 ' HG2' HG11 ' A' ' 29' ' ' VAL . 57.7 mtpt -61.13 -57.85 10.79 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.058 0.543 . . . . 73.340000000000003 109.931 174.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.73 -26.05 67.57 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.046 0.538 . . . . 75.019999999999996 111.371 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.88 -54.81 32.9 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.073 0.949 . . . . 42.520000000000003 110.083 175.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.461 HG11 HD13 ' A' ' 55' ' ' LEU . 23.2 m -76.45 -23.19 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 115.863 -0.608 . . . . 72.409999999999997 112.113 -175.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.74 -26.07 68.2 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.565 0.746 . . . . 73.329999999999998 111.722 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -60.13 -28.98 68.33 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.82 0.448 . . . . 63.140000000000001 111.447 174.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -108.96 18.86 20.22 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.504 0.722 . . . . 44.310000000000002 111.785 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.57 24.02 73.76 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 114.925 0.73 . . . . 74.209999999999994 114.925 169.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -77.45 142.16 39.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.99 0.424 . . . . 63.109999999999999 110.17 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -78.81 160.33 27.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.036 1.334 . . . . 74.019999999999996 108.313 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.551 HG11 ' HG2' ' A' ' 19' ' ' LYS . 23.7 t -136.55 138.97 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 118.546 0.612 . . . . 74.019999999999996 109.466 173.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -137.99 143.34 40.59 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.683 0.793 . . . . 73.099999999999994 110.359 173.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.89 116.22 28.54 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.327 1.051 . . . . 74.120000000000005 108.553 172.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.541 HG12 HD13 ' A' ' 63' ' ' LEU . 73.0 t -97.91 108.43 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 107.403 -1.332 . . . . 63.32 107.403 167.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -107.65 -14.94 14.7 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.626 0.77 . . . . 71.340000000000003 111.476 -169.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -153.7 165.22 36.67 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.354 0.662 . . . . 53.43 109.752 -171.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 t -66.13 -31.72 72.75 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.115 0.966 . . . . 34.32 111.424 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.9 -43.09 80.09 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 108.574 -0.899 . . . . 64.439999999999998 108.574 175.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -61.11 -34.68 75.34 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.575 0.547 . . . . 73.420000000000002 111.239 174.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.551 HD11 ' HB2' ' A' ' 67' ' ' MET . 36.6 tp -62.02 -54.74 37.29 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 124.096 0.872 . . . . 74.400000000000006 110.256 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -69.85 -25.52 63.77 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.49 -0.323 . . . . 75.329999999999998 111.295 -176.673 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 6.9 mmpt? -59.89 -57.84 11.12 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.509 0.324 . . . . 62.25 110.372 176.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 2.3 pp20? -76.47 -30.63 57.37 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.946 -0.57 . . . . 74.400000000000006 111.786 -176.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.744 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 50.1 mmm -64.05 -31.38 72.55 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 117.785 0.266 . . . . 71.120000000000005 111.472 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 6.3 mptp? -71.21 -29.22 64.87 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.572 0.349 . . . . 74.340000000000003 110.473 172.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -73.14 -34.69 66.23 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 110.013 -0.366 . . . . 73.019999999999996 110.013 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.778 HD13 HD21 ' A' ' 4' ' ' LEU . 35.0 mt -75.68 -28.42 58.65 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.033 0.933 . . . . 71.329999999999998 110.325 178.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.54 -50.06 8.63 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 123.226 0.611 . . . . 73.329999999999998 111.98 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -74.19 -45.88 45.58 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-O 121.075 0.465 . . . . 75.150000000000006 110.412 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -102.51 74.75 1.4 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.319 -0.993 . . . . 73.540000000000006 108.319 175.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.51 ' HD3' HD22 ' A' ' 74' ' ' LEU . 26.3 ttpp -89.52 16.21 8.06 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 121.974 0.892 . . . . 75.0 110.976 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -61.61 165.88 4.64 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.509 1.124 . . . . 72.230000000000004 110.817 172.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -71.89 128.66 36.44 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 110.058 -0.349 . . . . 72.310000000000002 110.058 -177.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -161.95 145.59 12.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.416 0.687 . . . . 71.349999999999994 109.524 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.501 ' HG2' HD12 ' A' ' 3' ' ' ILE . 86.9 mttt -93.78 105.13 17.18 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.104 0.961 . . . . 60.130000000000003 108.48 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.4 mt -125.34 134.8 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.212 0.605 . . . . 72.230000000000004 109.94 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.461 HD13 HG11 ' A' ' 22' ' ' VAL . 13.5 tp -106.55 110.71 22.99 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 125.238 1.415 . . . . 73.519999999999996 107.545 173.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.516 ' HB ' HD23 ' A' ' 6' ' ' LEU . 40.3 mm -93.54 125.13 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.325 0.583 . . . . 51.030000000000001 109.884 176.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.56 ' HG3' HD13 ' A' ' 15' ' ' ILE . 77.9 tttt -93.75 144.2 25.63 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.997 1.319 . . . . 64.25 110.21 175.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.491 ' HB3' HD11 ' A' ' 64' ' ' LEU . 31.3 t -167.46 174.15 8.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.611 1.165 . . . . 54.549999999999997 108.692 168.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -143.15 16.25 1.9 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.104 0.962 . . . . 61.439999999999998 109.322 173.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -128.08 99.75 5.6 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.382 1.073 . . . . 73.129999999999995 108.996 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -59.79 -14.33 14.27 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.905 1.282 . . . . 65.200000000000003 113.983 -176.888 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.496 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . 13.2 mm100 -62.53 -51.49 67.21 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.568 -0.53 . . . . 70.120000000000005 109.568 176.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.541 HD13 HG12 ' A' ' 32' ' ' VAL . 93.4 mt -55.53 -40.29 71.65 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.322 -1.308 . . . . 72.040000000000006 111.45 177.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' A' ' 58' ' ' SER . 9.2 mp -66.28 -42.96 87.66 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.497 0.719 . . . . 42.210000000000001 111.327 -177.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.496 ' HE2' ' HA ' ' A' ' 62' ' ' GLN . 58.5 mtmt -58.16 -55.12 39.03 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 109.893 -0.41 . . . . 74.430000000000007 109.893 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.57 -35.18 78.68 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 125.025 1.453 . . . . 74.5 111.795 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.744 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 52.2 ttm -58.64 -53.76 54.7 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.805 0.842 . . . . 65.319999999999993 110.132 174.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.505 HD23 HD12 ' A' ' 71' ' ' ILE . 65.3 mt -65.0 -29.35 70.27 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.305 1.003 . . . . 74.400000000000006 111.599 -175.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 10.7 mm-40 -64.77 -34.1 77.54 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.929 0.491 . . . . 73.209999999999994 110.946 176.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.6 mt -78.9 -35.0 44.27 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.381 0.672 . . . . 63.100000000000001 110.164 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.505 HD12 HD23 ' A' ' 68' ' ' LEU . 76.9 mt -66.81 -21.32 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.115 0.966 . . . . 71.310000000000002 110.592 175.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 t -56.37 -37.51 70.18 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.392 0.677 . . . . 75.140000000000001 111.08 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -77.61 -34.15 53.49 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.28 0.632 . . . . 53.409999999999997 111.21 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.51 HD22 ' HD3' ' A' ' 49' ' ' LYS . 89.6 mt -75.1 -37.63 61.45 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.603 0.761 . . . . 74.129999999999995 111.664 -173.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.61 78.43 0.2 Allowed Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.367 -0.833 . . . . 40.210000000000001 113.689 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -152.56 161.03 43.14 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.214 0.606 . . . . 73.540000000000006 110.588 170.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' NZ ' ' HB2' ' A' ' 103' ' ' GLU . 61.8 tttp -83.17 129.31 35.01 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.346 0.658 . . . . 73.010000000000005 110.672 -175.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.13 144.26 25.38 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 124.502 1.121 . . . . 73.349999999999994 109.179 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.435 ' HB2' HG12 ' A' ' 5' ' ' ILE . 77.5 m-85 -115.98 109.51 17.65 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.33 1.052 . . . . 74.209999999999994 109.209 -177.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.7 tp -109.28 123.31 49.06 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.984 -0.448 . . . . 70.439999999999998 110.468 -175.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.0 tp -103.82 128.24 51.26 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 123.287 0.635 . . . . 72.239999999999995 109.468 170.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.534 ' HB3' HD22 ' A' ' 90' ' ' LEU . 73.0 mt -115.42 124.3 50.82 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 107.853 -1.166 . . . . 74.010000000000005 107.853 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.11 116.42 11.9 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 111.894 0.331 . . . . 70.430000000000007 111.894 -172.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -177.72 155.7 1.05 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.143 1.377 . . . . 75.010000000000005 109.377 173.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -59.26 -37.34 77.34 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.102 0.961 . . . . 54.0 111.393 178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -77.12 88.31 3.6 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.905 -1.146 . . . . 64.420000000000002 107.905 170.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.65 -13.52 61.01 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.896 -1.047 . . . . 62.130000000000003 110.962 178.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -58.22 -59.8 4.76 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.133 0.973 . . . . 73.0 111.508 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.07 -43.25 86.89 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.737 0.648 . . . . 71.319999999999993 110.449 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 82' ' ' LEU . 51.4 mt -62.92 -46.8 86.1 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 124.601 1.188 . . . . 72.5 111.253 -176.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 40.8 tt0 -70.97 -44.51 65.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.048 0.539 . . . . 54.439999999999998 110.711 -174.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.54 -37.62 88.19 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.631 0.372 . . . . 42.329999999999998 110.659 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -63.16 -48.95 76.26 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.724 0.81 . . . . 70.140000000000001 110.828 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -68.04 -26.56 65.93 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.999 -0.546 . . . . 63.310000000000002 111.612 -170.691 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 91.3 mtt-85 -57.46 -39.79 77.1 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.424 0.69 . . . . 72.439999999999998 111.366 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.91 -41.53 67.78 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.273 0.629 . . . . 74.109999999999999 110.277 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.536 ' HB ' HG11 ' A' ' 104' ' ' VAL . 25.9 mm -69.3 -38.93 78.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 C-N-CA 123.79 0.836 . . . . 73.099999999999994 110.264 -174.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -74.03 -32.97 63.58 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.855 1.262 . . . . 44.340000000000003 110.859 -175.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.1 t -66.91 -25.45 66.38 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.504 -0.771 . . . . 53.539999999999999 110.986 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -86.55 -4.25 59.14 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.039 0.936 . . . . 64.25 111.916 -178.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.91 -6.52 54.37 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-O 119.955 -0.359 . . . . 75.109999999999999 113.701 177.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.466 ' HB2' HG22 ' A' ' 97' ' ' ILE . 48.8 m-85 -74.18 130.47 39.83 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.531 -0.544 . . . . 62.420000000000002 109.531 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 79' ' ' PHE . 8.5 tp10 -77.88 101.98 7.06 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.136 0.574 . . . . 75.430000000000007 109.548 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.536 HG11 ' HB ' ' A' ' 97' ' ' ILE . 4.2 p -127.7 127.49 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 121.236 0.541 . . . . 73.140000000000001 111.077 -175.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -117.0 157.49 25.7 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.018 -0.992 . . . . 73.340000000000003 109.228 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.95 146.02 51.84 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.62 0.768 . . . . 71.129999999999995 109.056 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.5 m -145.95 172.05 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.258 1.023 . . . . 75.019999999999996 110.771 -174.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.6 p -118.94 -21.07 7.89 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.951 0.9 . . . . 74.010000000000005 112.209 -177.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -121.33 159.51 25.93 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 122.662 0.385 . . . . 73.230000000000004 111.266 -170.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.02 -59.16 3.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.097 1.359 . . . . 71.239999999999995 111.827 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -22.03 61.37 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.5 0.32 . . . . 54.130000000000003 111.202 -174.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.37 -45.1 70.14 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.877 0.871 . . . . 74.310000000000002 109.868 170.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.1 -40.2 88.79 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.402 0.681 . . . . 73.319999999999993 111.234 178.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.89 -38.17 81.49 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.308 1.005 . . . . 75.219999999999999 111.685 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -60.71 -40.49 92.48 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.445 0.698 . . . . 63.399999999999999 110.466 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 32.4 mm -77.76 -29.17 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 CA-C-N 115.205 -0.907 . . . . 64.200000000000003 111.013 -175.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.487 HG21 HG12 ' A' ' 18' ' ' ILE . 86.5 t -59.44 -44.96 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 108.922 -0.77 . . . . 71.239999999999995 108.922 170.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 38.3 mtp180 -58.92 -45.74 89.63 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 124.465 1.103 . . . . 63.350000000000001 109.908 177.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.444 ' O ' ' HD3' ' A' ' 123' ' ' LYS . 59.7 mm-40 -54.11 -53.75 48.97 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 123.92 0.762 . . . . 51.409999999999997 110.641 177.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -59.94 -36.66 77.54 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.318 0.647 . . . . 60.329999999999998 112.133 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 76.2 mtp -68.93 -34.58 75.61 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.49 0.716 . . . . 64.530000000000001 111.719 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 11.4 mm100 -75.25 -46.74 31.81 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.873 0.469 . . . . 74.120000000000005 110.316 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 119' ' ' GLU . 14.3 mptt -66.91 -31.46 72.06 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.568 -0.742 . . . . 51.539999999999999 110.943 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.21 56.49 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.383 0.673 . . . . 75.430000000000007 110.808 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -58.85 -35.45 82.61 Favored Glycine 0 C--N 1.346 1.118 0 N-CA-C 112.224 -0.351 . . . . 53.130000000000003 112.224 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.487 ' HB3' ' HD2' ' A' ' 132' ' ' HIS . 75.5 m -64.97 -24.36 67.49 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.4 1.08 . . . . 73.219999999999999 112.681 177.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.79 -25.16 67.12 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.903 0.481 . . . . 73.420000000000002 111.271 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -82.31 -75.35 0.31 Allowed 'General case' 0 C--N 1.351 0.66 0 N-CA-C 109.251 -0.648 . . . . 74.510000000000005 109.251 172.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -122.14 149.18 43.96 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.091 -1.078 . . . . 74.400000000000006 108.091 -176.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.5 m80 63.77 52.33 2.2 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 107.239 -1.393 . . . . 70.200000000000003 107.239 -160.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -75.46 82.11 2.52 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.571 -1.65 . . . . 75.109999999999999 109.193 -174.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.487 ' HD2' ' HB3' ' A' ' 126' ' ' SER . 47.5 m-70 -52.22 -41.9 63.11 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.368 1.067 . . . . 70.120000000000005 111.907 -175.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -72.18 79.29 0.97 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.829 0.852 . . . . 72.239999999999995 111.217 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 . . . . . 0 CA--C 1.553 1.059 0 N-CA-C 108.739 -0.838 . . . . 72.010000000000005 108.739 -179.886 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.84 -0.429 . . . . 63.340000000000003 109.84 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -145.66 145.23 30.84 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.938 -1.134 . . . . 62.130000000000003 107.938 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.494 HG21 ' HB1' ' A' ' 124' ' ' ALA . 66.1 mt -119.26 108.58 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.815 -0.809 . . . . 72.010000000000005 108.815 177.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.612 HD11 HD22 ' A' ' 45' ' ' LEU . 10.3 mp -99.95 141.15 33.16 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.12 0.568 . . . . 62.329999999999998 109.82 174.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.422 ' HB ' HD12 ' A' ' 55' ' ' LEU . 56.3 mt -121.63 111.38 30.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 N-CA-C 106.177 -1.786 . . . . 64.549999999999997 106.177 162.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.482 HD23 ' HB ' ' A' ' 56' ' ' ILE . 83.4 mt -88.48 130.58 35.18 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 108.667 -0.864 . . . . 73.530000000000001 108.667 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.0 mm -119.26 115.11 46.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.386 -0.968 . . . . 73.439999999999998 108.386 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.439 ' HB2' HD21 ' A' ' 64' ' ' LEU . 28.8 t-20 -124.91 102.59 7.61 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.428 -1.323 . . . . 65.019999999999996 107.428 172.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 10.2 t -129.8 144.97 51.56 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.679 -0.691 . . . . 53.530000000000001 109.829 176.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -65.16 -49.14 71.02 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 124.171 0.92 . . . . 72.219999999999999 110.424 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -80.83 101.19 9.23 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 109.38 -0.6 . . . . 71.420000000000002 109.38 176.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.98 -17.88 58.57 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.667 1.187 . . . . 73.239999999999995 111.697 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.38 -41.66 89.87 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.702 1.201 . . . . 71.120000000000005 111.11 173.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.27 -35.16 74.87 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.865 0.866 . . . . 63.530000000000001 111.606 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.586 HG21 ' HG3' ' A' ' 57' ' ' LYS . 76.0 mt -60.25 -40.99 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 123.494 0.718 . . . . 64.319999999999993 111.144 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -54.79 -39.73 68.73 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.334 0.588 . . . . 65.430000000000007 111.248 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 53.2 mtpt -73.55 -46.12 49.35 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 114.589 -1.187 . . . . 74.25 110.335 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.23 -36.26 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.207 1.003 . . . . 64.299999999999997 110.978 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.515 ' HG2' HG11 ' A' ' 29' ' ' VAL . 59.2 mtpt -60.7 -55.91 27.61 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 115.705 -0.679 . . . . 71.439999999999998 109.589 176.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -67.4 -21.16 65.6 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.653 -0.703 . . . . 70.25 112.328 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 16.2 mm-40 -65.48 -54.38 29.11 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.854 0.462 . . . . 64.329999999999998 110.633 168.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.58 HG11 HD13 ' A' ' 55' ' ' LEU . 28.5 m -76.67 -30.32 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 113.048 0.759 . . . . 73.439999999999998 113.048 -170.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.4 -21.34 66.66 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.349 0.66 . . . . 55.409999999999997 112.53 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -61.51 -36.34 80.25 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.854 0.462 . . . . 74.230000000000004 111.732 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -99.51 19.63 15.34 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.654 0.781 . . . . 72.030000000000001 111.904 -176.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.91 37.9 60.49 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-N 115.862 -0.608 . . . . 64.010000000000005 114.189 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.68 124.28 33.4 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 109.409 -0.589 . . . . 74.530000000000001 109.409 170.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -80.07 115.94 19.91 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.758 -0.83 . . . . 75.239999999999995 108.758 170.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.515 HG11 ' HG2' ' A' ' 19' ' ' LYS . 23.3 t -87.93 127.45 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 109.83 -0.433 . . . . 63.509999999999998 109.83 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.01 109.75 19.67 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.26 1.024 . . . . 62.409999999999997 108.492 -177.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -83.01 110.17 17.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.76 -0.83 . . . . 73.439999999999998 108.76 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.452 HG12 HD13 ' A' ' 63' ' ' LEU . 87.6 t -109.58 123.53 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.27 -1.011 . . . . 74.239999999999995 108.27 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.406 ' HA ' ' OD1' ' A' ' 59' ' ' ASN . 32.5 m-80 -108.75 -39.8 5.25 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.584 0.754 . . . . 73.319999999999993 110.989 -177.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -134.44 171.13 14.73 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.097 0.959 . . . . 74.319999999999993 109.523 -168.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.6 t -68.56 -23.52 64.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.275 0.63 . . . . 74.219999999999999 111.073 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 18.4 t70 -66.56 -50.95 61.44 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.618 0.767 . . . . 75.340000000000003 109.351 170.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 15.7 mm-40 -57.19 -35.54 69.73 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.158 0.911 . . . . 62.130000000000003 110.728 175.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' A' ' 66' ' ' GLU . 51.2 tp -64.45 -57.9 7.96 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.442 -0.799 . . . . 73.0 111.37 -178.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -63.8 -33.46 75.73 Favored 'General case' 0 C--N 1.362 1.148 0 O-C-N 123.68 0.613 . . . . 74.200000000000003 110.962 -176.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -52.16 -51.6 57.0 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.779 0.831 . . . . 73.5 110.559 170.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 20.5 mm-40 -79.19 -17.2 55.33 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.289 -0.414 . . . . 73.340000000000003 111.727 -179.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.428 ' SD ' HD12 ' A' ' 45' ' ' LEU . 94.2 mmm -71.49 -19.82 62.15 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 117.848 0.295 . . . . 75.040000000000006 111.012 172.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.86 -43.2 90.77 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 109.658 -0.497 . . . . 72.549999999999997 109.658 163.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 31.7 mmmt -70.45 -41.0 73.4 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.677 0.791 . . . . 54.32 112.257 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.612 HD22 HD11 ' A' ' 4' ' ' LEU . 66.2 mt -82.37 -41.17 20.33 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.976 0.51 . . . . 73.219999999999999 111.225 -173.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.49 -41.14 10.99 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.85 0.685 . . . . 43.210000000000001 112.85 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -93.69 -3.45 52.33 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 112.304 0.483 . . . . 63.420000000000002 112.304 -176.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 86.3 mt-10 -121.86 108.31 13.3 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 108.971 -0.751 . . . . 74.019999999999996 108.971 171.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.38 -0.6 43.37 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.059 0.944 . . . . 72.430000000000007 110.346 178.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.94 140.68 56.54 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.539 0.524 . . . . 73.409999999999997 110.635 175.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.601 ' HZ ' ' HG2' ' A' ' 128' ' ' GLU . 79.8 t80 -62.31 125.05 22.55 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.705 0.628 . . . . 72.109999999999999 111.771 -173.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -162.87 144.41 10.06 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 123.435 0.694 . . . . 70.129999999999995 109.923 177.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -99.5 105.03 16.89 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.595 -0.891 . . . . 53.030000000000001 108.595 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.3 mt -110.55 124.49 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.152 0.581 . . . . 53.140000000000001 109.911 -177.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.58 HD13 HG11 ' A' ' 22' ' ' VAL . 13.5 tp -84.73 105.35 15.45 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.651 -1.24 . . . . 73.349999999999994 107.651 169.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.576 HD11 HD21 ' A' ' 45' ' ' LEU . 16.4 mm -90.76 117.55 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 108.772 -0.825 . . . . 72.129999999999995 108.772 177.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.586 ' HG3' HG21 ' A' ' 15' ' ' ILE . 11.6 tmtt? -91.9 142.57 27.42 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.41 -0.959 . . . . 61.140000000000001 108.41 171.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.2 t -154.41 129.98 9.92 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 123.858 0.723 . . . . 75.209999999999994 109.488 168.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.406 ' OD1' ' HA ' ' A' ' 33' ' ' ASN . 2.8 p-10 -88.31 1.03 55.46 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.577 0.751 . . . . 63.140000000000001 111.052 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -127.59 128.99 46.5 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.195 0.598 . . . . 63.020000000000003 110.273 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -69.85 -22.71 63.25 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.524 1.13 . . . . 74.120000000000005 112.983 -176.547 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.466 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 28.8 mt-30 -70.96 -31.21 67.71 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.576 0.351 . . . . 75.129999999999995 110.693 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.452 HD13 HG12 ' A' ' 32' ' ' VAL . 44.2 mt -66.49 -34.95 79.07 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.532 -0.758 . . . . 62.509999999999998 110.475 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 8' ' ' ASN . 8.8 mp -63.51 -39.39 94.32 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.528 -0.76 . . . . 75.409999999999997 110.161 175.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 12.4 mmmm -66.83 -56.92 8.24 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 123.335 0.397 . . . . 70.140000000000001 111.773 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.496 ' HB2' HD21 ' A' ' 38' ' ' LEU . 35.5 mt-10 -53.81 -39.84 65.84 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 123.925 0.766 . . . . 74.530000000000001 110.5 -178.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.432 ' HB2' HD11 ' A' ' 38' ' ' LEU . 27.4 ttm -62.58 -57.33 11.48 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.828 -1.078 . . . . 50.119999999999997 110.548 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 71' ' ' ILE . 64.8 mt -65.1 -28.66 69.6 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.035 0.934 . . . . 75.340000000000003 112.814 -173.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 43.1 mm-40 -66.52 -40.44 89.15 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.15 0.5 . . . . 71.310000000000002 109.943 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 90.0 mt -76.78 -28.58 55.7 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.537 -0.756 . . . . 64.140000000000001 110.86 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.502 HD12 HD23 ' A' ' 68' ' ' LEU . 80.2 mt -69.0 -32.63 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.368 0.667 . . . . 54.100000000000001 110.234 175.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -60.06 -31.5 70.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.968 0.507 . . . . 73.5 110.475 175.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -74.78 -40.74 61.0 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.685 0.794 . . . . 52.240000000000002 111.019 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 78.7 mt -68.66 -41.09 79.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.884 0.874 . . . . 75.340000000000003 112.222 -175.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.12 74.07 0.96 Allowed Glycine 0 C--N 1.343 0.938 0 CA-C-N 115.851 -0.613 . . . . 73.030000000000001 113.857 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.419 ' CE1' HD13 ' A' ' 4' ' ' LEU . 35.3 p90 -149.99 168.41 23.91 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.48 0.712 . . . . 73.439999999999998 110.367 168.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.437 ' HD2' HD11 ' A' ' 127' ' ' LEU . 2.9 tmtp? -87.09 131.17 34.22 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.494 0.717 . . . . 74.540000000000006 109.737 -174.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.42 HG21 HG21 ' A' ' 71' ' ' ILE . 81.5 t -126.96 140.81 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.94 0.896 . . . . 74.239999999999995 110.161 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -102.64 152.07 21.62 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.774 1.229 . . . . 74.239999999999995 108.282 170.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.5 tp -140.41 136.64 33.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.146 0.579 . . . . 75.230000000000004 109.776 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.567 HD13 HG21 ' A' ' 116' ' ' ILE . 37.8 tp -128.66 117.96 22.08 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.291 1.036 . . . . 61.210000000000001 108.858 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.421 HD11 ' HD2' ' A' ' 93' ' ' PHE . 61.7 mt -101.64 134.74 44.31 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.737 -1.208 . . . . 24.43 107.737 174.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 9' ' ' THR . . . -146.49 111.73 5.45 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.048 0.385 . . . . 42.299999999999997 110.604 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.432 ' HB3' HD11 ' A' ' 90' ' ' LEU . 13.8 t0 -162.53 150.58 14.22 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.124 -0.695 . . . . 65.349999999999994 109.124 175.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -55.92 -43.63 77.55 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.768 1.227 . . . . 74.409999999999997 110.366 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.71 107.17 15.14 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.558 -1.275 . . . . 50.340000000000003 107.558 170.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.06 -14.07 34.58 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.478 -0.783 . . . . 72.310000000000002 111.889 -178.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.16 -52.25 66.14 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.999 0.919 . . . . 64.150000000000006 112.392 -168.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.67 -44.81 92.68 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.349 0.405 . . . . 54.039999999999999 110.417 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 84' ' ' ASP . 80.4 mt -63.32 -28.82 70.27 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.07 -0.968 . . . . 72.349999999999994 111.282 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.14 -46.23 78.22 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.127 0.971 . . . . 72.439999999999998 110.498 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -69.25 -39.84 78.22 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.507 -0.769 . . . . 65.349999999999994 109.646 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.447 ' O ' HG12 ' A' ' 97' ' ' ILE . 34.1 t80 -59.34 -47.7 84.41 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 114.311 -1.313 . . . . 74.519999999999996 111.163 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -26.98 65.65 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.271 -0.422 . . . . 61.32 112.074 -177.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -66.97 -36.9 83.24 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.912 0.485 . . . . 54.130000000000003 110.211 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -64.8 -53.34 48.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.664 0.786 . . . . 71.140000000000001 110.305 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.455 HG22 ' HB2' ' A' ' 102' ' ' TYR . 32.5 mm -68.64 -35.53 70.44 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 CA-C-N 114.935 -1.029 . . . . 71.25 111.093 -171.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.17 -45.37 94.91 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 115.579 -0.737 . . . . 62.420000000000002 109.697 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -67.16 -27.38 67.24 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.533 -0.758 . . . . 75.019999999999996 111.031 -176.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -78.43 -6.25 54.74 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.528 0.731 . . . . 72.409999999999997 112.449 177.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.48 17.38 39.45 Favored Glycine 0 C--N 1.345 1.069 0 N-CA-C 113.784 0.274 . . . . 54.25 113.784 173.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.455 ' HB2' HG22 ' A' ' 97' ' ' ILE . 68.7 m-85 -99.55 151.79 20.76 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.007 0.523 . . . . 71.209999999999994 109.853 174.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -79.8 128.17 33.11 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 108.487 -0.931 . . . . 65.010000000000005 108.487 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.9 p -141.14 134.92 31.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.317 0.579 . . . . 73.239999999999995 110.439 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -122.64 135.82 54.71 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.504 1.122 . . . . 75.329999999999998 108.112 172.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -117.4 115.33 24.99 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.63 -0.878 . . . . 53.109999999999999 108.63 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.2 m -123.58 -178.78 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 124.65 1.18 . . . . 61.299999999999997 110.06 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.2 p -128.64 -51.96 1.25 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.273 0.629 . . . . 62.109999999999999 110.06 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.94 154.07 40.7 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 112.872 0.693 . . . . 74.230000000000004 112.872 -171.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.8 -54.16 46.05 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.764 1.225 . . . . 64.219999999999999 110.437 176.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.14 -36.73 68.6 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.365 1.066 . . . . 74.439999999999998 111.39 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.535 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.0 tt0 -79.42 -33.95 42.15 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 114.258 -1.337 . . . . 75.120000000000005 110.346 -172.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -66.88 -49.07 66.82 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.707 0.403 . . . . 74.239999999999995 111.037 174.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.06 -36.54 79.88 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.665 0.786 . . . . 63.25 112.184 -176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -72.96 -26.45 61.37 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 110.42 -0.215 . . . . 73.319999999999993 110.42 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.567 HG21 HD13 ' A' ' 81' ' ' LEU . 49.3 mm -73.42 -41.45 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.549 0.339 . . . . 71.310000000000002 110.172 173.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 113' ' ' ALA . 74.5 t -56.74 -53.77 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.629 0.771 . . . . 72.230000000000004 110.975 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -62.45 -32.5 73.38 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.489 -0.778 . . . . 71.519999999999996 110.974 -176.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -74.77 -39.17 61.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.309 0.644 . . . . 74.540000000000006 111.577 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -59.33 -33.24 70.88 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.307 0.643 . . . . 60.009999999999998 111.057 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 71.3 mtp -68.02 -30.29 69.49 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.104 0.962 . . . . 65.0 111.384 176.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.34 -46.58 54.91 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.378 0.671 . . . . 73.019999999999996 110.448 176.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 13.3 mptt -69.31 -29.83 67.76 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.284 -0.416 . . . . 45.229999999999997 110.707 179.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.494 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -70.59 -35.51 73.06 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 122.998 0.519 . . . . 61.219999999999999 110.324 173.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -64.73 -34.56 90.22 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.655 -0.702 . . . . 42.25 112.477 171.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.1 m -64.87 -32.79 74.66 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.395 0.678 . . . . 53.119999999999997 110.518 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.518 ' HA ' ' HB2' ' A' ' 130' ' ' HIS . 97.6 mt -76.02 -21.9 56.36 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.258 0.623 . . . . 54.340000000000003 111.444 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.601 ' HG2' ' HZ ' ' A' ' 51' ' ' PHE . 28.1 mt-10 -70.06 -54.21 14.11 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.618 0.367 . . . . 64.439999999999998 110.352 176.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -90.16 19.46 5.01 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.905 -0.589 . . . . 73.430000000000007 111.503 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.518 ' HB2' ' HA ' ' A' ' 127' ' ' LEU . 4.9 t-80 -68.68 100.98 1.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.953 0.901 . . . . 71.430000000000007 108.615 174.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -82.04 63.58 6.33 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.254 1.022 . . . . 63.420000000000002 111.964 -166.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 39.8 m80 53.14 19.56 1.5 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.893 1.277 . . . . 72.340000000000003 112.781 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -121.94 116.34 24.19 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 107.904 -1.147 . . . . 74.0 107.904 -172.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 79.3 t60 . . . . . 0 CA--C 1.553 1.075 0 O-C-N 123.832 0.707 . . . . 72.400000000000006 110.891 -178.881 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 tpt . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 108.793 -0.818 . . . . 73.310000000000002 108.793 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -157.77 175.94 13.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.253 0.621 . . . . 75.299999999999997 110.287 176.413 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.464 HD12 ' HG2' ' A' ' 53' ' ' LYS . 74.2 mt -110.08 124.78 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.967 0.907 . . . . 55.030000000000001 109.343 -178.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -112.75 137.44 51.06 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.239 0.616 . . . . 75.340000000000003 109.674 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.495 ' HB ' HD12 ' A' ' 55' ' ' LEU . 30.6 mt -115.44 103.59 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 107.062 -1.459 . . . . 71.400000000000006 107.062 162.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.48 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -85.84 129.59 34.79 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.529 1.132 . . . . 72.349999999999994 108.993 -178.16 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.6 mm -123.63 120.42 59.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 C-N-CA 124.136 0.975 . . . . 74.319999999999993 109.099 -178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.585 ' HB2' HD21 ' A' ' 64' ' ' LEU . 24.9 t-20 -122.89 103.35 8.56 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.433 -1.321 . . . . 51.009999999999998 107.433 171.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.484 ' HB ' HG12 ' A' ' 15' ' ' ILE . 89.4 m -127.93 128.8 45.75 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.517 -1.22 . . . . 70.140000000000001 108.368 178.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -71.75 -28.76 63.86 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 123.441 0.463 . . . . 61.049999999999997 110.37 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -98.02 96.23 8.01 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.04 -1.096 . . . . 70.239999999999995 108.04 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -60.78 -26.41 67.25 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.285 1.034 . . . . 74.340000000000003 113.027 -170.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -57.06 -39.04 74.13 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.182 0.593 . . . . 61.049999999999997 111.559 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -71.4 -33.26 69.32 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.715 0.806 . . . . 63.399999999999999 110.859 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.49 HG21 ' HG3' ' A' ' 57' ' ' LYS . 49.0 mt -59.45 -46.53 92.7 Favored 'Isoleucine or valine' 0 C--N 1.365 1.271 0 N-CA-C 109.639 -0.504 . . . . 63.350000000000001 109.639 174.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 51.8 mtpt -56.39 -39.16 72.54 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 123.973 0.795 . . . . 62.109999999999999 111.081 -177.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -65.41 -44.08 88.53 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.514 0.726 . . . . 63.219999999999999 111.006 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.76 -37.37 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 C-N-CA 124.153 0.981 . . . . 72.409999999999997 111.265 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.539 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 59.8 mtpt -63.06 -40.35 97.44 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.548 0.739 . . . . 72.140000000000001 110.225 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 33.5 mmtp -66.45 -46.41 76.5 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 115.755 -0.657 . . . . 73.140000000000001 110.025 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -49.36 -53.22 23.44 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.359 1.064 . . . . 40.149999999999999 111.796 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.709 HG11 HD13 ' A' ' 55' ' ' LEU . 32.8 m -71.35 -35.05 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 115.122 -0.944 . . . . 64.549999999999997 111.593 -176.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -70.98 -19.51 62.53 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.568 0.581 . . . . 75.109999999999999 112.568 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -65.15 -26.08 68.02 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 118.072 0.396 . . . . 70.239999999999995 110.626 168.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -111.02 20.82 17.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.554 0.741 . . . . 71.430000000000007 110.954 174.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.31 31.26 71.47 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 115.811 1.085 . . . . 51.100000000000001 115.811 167.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 4.8 m-85 -78.1 139.94 39.05 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 117.739 0.769 . . . . 73.400000000000006 109.829 172.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -81.15 118.5 22.6 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.829 0.852 . . . . 64.010000000000005 108.774 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -97.82 133.1 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 121.869 -0.519 . . . . 74.540000000000006 109.927 -176.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.1 ttm-85 -134.14 114.2 12.87 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.386 1.074 . . . . 74.219999999999999 108.565 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.538 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 1.4 m-20 -97.41 139.9 32.66 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.945 0.898 . . . . 75.030000000000001 110.593 -170.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.2 t -128.23 113.54 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 107.885 -1.154 . . . . 73.200000000000003 107.885 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -102.41 -20.91 14.37 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.295 0.638 . . . . 74.409999999999997 110.115 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -146.13 160.36 42.04 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.922 0.489 . . . . 71.140000000000001 111.751 -171.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.3 m -56.76 -33.44 66.59 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.513 1.525 . . . . 62.240000000000002 113.185 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 23.7 t70 -60.04 -51.1 71.09 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.874 0.87 . . . . 61.0 109.97 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 50.0 mt-10 -65.94 -33.15 75.15 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.137 -0.938 . . . . 73.219999999999999 110.539 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' A' ' 63' ' ' LEU . 50.5 tp -55.06 -59.15 5.15 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.079 0.552 . . . . 75.109999999999999 110.839 176.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -33.47 75.88 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.853 0.721 . . . . 71.219999999999999 111.407 -176.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 9.9 mtmp? -61.21 -52.68 63.76 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.295 0.372 . . . . 75.549999999999997 111.53 174.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 4.2 mm-40 -72.25 -27.88 62.78 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.809 -0.178 . . . . 75.430000000000007 110.628 -174.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.564 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 90.0 mmm -67.74 -34.78 77.51 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.655 0.382 . . . . 64.109999999999999 110.864 175.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -42.44 99.44 Favored 'General case' 0 C--O 1.209 -1.075 0 N-CA-C 109.516 -0.55 . . . . 73.019999999999996 109.516 170.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HA ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -59.77 -38.99 83.37 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 122.597 0.359 . . . . 74.430000000000007 111.508 178.238 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 80.2 mt -74.74 -26.86 60.08 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.557 0.743 . . . . 75.109999999999999 111.651 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.99 -38.08 15.81 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.762 0.825 . . . . 72.430000000000007 112.785 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -77.54 -56.97 4.08 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.791 0.836 . . . . 75.200000000000003 109.469 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -74.72 125.59 29.06 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 108.254 -1.017 . . . . 72.340000000000003 108.254 176.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -104.05 -1.02 28.04 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.556 0.742 . . . . 73.120000000000005 110.035 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -59.23 139.62 56.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.356 1.462 . . . . 73.420000000000002 112.474 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -77.32 122.3 24.93 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.758 0.823 . . . . 70.450000000000003 109.747 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 10.9 tp10 -160.35 137.53 9.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.583 0.753 . . . . 74.5 109.549 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HG2' HD12 ' A' ' 3' ' ' ILE . 34.0 mtmm -88.56 94.96 10.05 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.828 -0.804 . . . . 74.129999999999995 108.828 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.0 mt -103.33 122.55 55.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 115.314 -0.857 . . . . 74.030000000000001 110.09 -176.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.709 HD13 HG11 ' A' ' 22' ' ' VAL . 10.4 tp -79.72 109.23 13.93 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 107.723 -1.214 . . . . 62.100000000000001 107.723 169.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.8 mm -90.0 114.38 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 108.614 -0.884 . . . . 73.099999999999994 108.614 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.538 ' HB3' ' HA ' ' A' ' 31' ' ' ASP . 1.4 tmtp? -91.17 135.9 33.46 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.648 -1.241 . . . . 64.140000000000001 107.648 169.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.3 t -150.33 117.12 5.85 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.291 -1.003 . . . . 52.140000000000001 108.291 172.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -70.99 -43.5 67.87 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.854 0.862 . . . . 61.310000000000002 111.158 -173.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -95.86 126.99 41.5 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.12 -0.491 . . . . 75.310000000000002 110.849 -171.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -59.58 -28.62 67.31 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 125.842 1.657 . . . . 55.219999999999999 112.9 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -57.45 -47.51 81.63 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.661 0.785 . . . . 72.299999999999997 109.832 176.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.451 ' HB3' HD13 ' A' ' 38' ' ' LEU . 49.7 mt -60.26 -36.61 78.18 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 113.813 -1.539 . . . . 64.420000000000002 110.988 -174.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' A' ' 8' ' ' ASN . 7.9 mp -66.72 -46.2 76.26 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.902 0.751 . . . . 70.400000000000006 111.798 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -56.58 -53.77 53.66 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 123.905 0.753 . . . . 72.010000000000005 109.965 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.79 -40.27 87.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.47 1.108 . . . . 75.310000000000002 111.385 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.564 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 38.5 ttm -61.53 -52.47 64.34 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.483 1.113 . . . . 75.219999999999999 110.123 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.564 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 44.9 mt -70.64 -29.56 65.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.287 1.035 . . . . 65.340000000000003 112.069 -172.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.91 -33.71 76.67 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.267 0.627 . . . . 74.400000000000006 110.969 173.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.9 mt -82.56 -31.75 28.91 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.515 0.726 . . . . 64.109999999999999 110.834 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.564 ' HB ' ' HA ' ' A' ' 68' ' ' LEU . 39.9 mt -65.47 -26.01 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 124.421 1.088 . . . . 73.129999999999995 110.309 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.4 t -61.5 -27.0 68.28 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.308 0.643 . . . . 74.430000000000007 111.795 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -83.25 -37.21 23.83 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.258 0.623 . . . . 73.329999999999998 110.671 172.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.79 -33.57 75.07 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.413 0.685 . . . . 75.450000000000003 112.178 -176.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.79 64.95 3.64 Favored Glycine 0 C--N 1.349 1.261 0 N-CA-C 114.339 0.496 . . . . 51.240000000000002 114.339 173.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.67 170.88 14.94 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.854 0.461 . . . . 71.430000000000007 110.907 175.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HG2' HD11 ' A' ' 127' ' ' LEU . 54.0 tptt -76.45 127.05 32.09 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.656 -0.702 . . . . 73.299999999999997 110.597 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.436 HG11 HD21 ' A' ' 68' ' ' LEU . 58.0 t -122.29 133.08 69.64 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 123.848 0.859 . . . . 74.0 109.076 173.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.52 107.42 17.06 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 107.592 -1.262 . . . . 61.020000000000003 107.592 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 6' ' ' LEU . 22.8 tp -107.41 130.94 54.75 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.348 0.522 . . . . 73.400000000000006 111.062 -173.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 116' ' ' ILE . 32.2 tp -119.29 134.31 55.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.001 0.92 . . . . 71.299999999999997 109.507 175.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.523 ' HB3' HD22 ' A' ' 90' ' ' LEU . 74.2 mt -119.18 94.03 4.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.299 1.04 . . . . 70.120000000000005 109.038 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.98 110.97 22.83 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.967 0.507 . . . . 73.409999999999997 111.94 -175.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.444 ' HB3' HD11 ' A' ' 90' ' ' LEU . 24.1 t70 -165.55 156.74 14.06 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.467 0.707 . . . . 74.329999999999998 110.637 173.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.466 ' HA ' HG23 ' A' ' 108' ' ' THR . 97.3 mt-30 -58.12 -41.23 83.18 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 125.007 1.323 . . . . 65.329999999999998 111.763 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.48 101.61 7.42 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 108.415 -0.957 . . . . 73.200000000000003 108.415 169.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -83.68 -15.98 46.75 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.031 -0.986 . . . . 75.5 111.294 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -62.76 -57.52 10.63 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.419 1.088 . . . . 75.510000000000005 112.504 -168.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.2 -39.63 86.35 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.133 0.573 . . . . 63.100000000000001 111.043 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 82' ' ' LEU . 97.1 mt -65.14 -30.79 71.75 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.562 -0.744 . . . . 72.510000000000005 111.376 178.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.99 -37.29 84.29 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.886 0.875 . . . . 64.439999999999998 110.274 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -77.29 -44.51 29.43 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.867 -1.061 . . . . 74.409999999999997 109.955 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.47 -48.41 65.91 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.717 1.207 . . . . 72.200000000000003 111.185 -177.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -61.72 -31.41 71.56 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.859 0.724 . . . . 71.329999999999998 112.004 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.33 -35.24 79.01 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.524 0.73 . . . . 63.340000000000003 111.754 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -65.03 -53.24 49.1 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 123.991 0.807 . . . . 72.120000000000005 108.948 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.588 HG22 ' HB2' ' A' ' 102' ' ' TYR . 24.1 mm -65.11 -37.65 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 115.259 -0.882 . . . . 62.43 111.031 -172.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.44 -35.75 71.02 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.416 -0.811 . . . . 74.510000000000005 110.742 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -73.3 -26.66 61.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.3 0.64 . . . . 71.219999999999999 110.637 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -75.99 -10.41 59.4 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.641 0.776 . . . . 75.230000000000004 111.204 174.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.14 43.29 3.3 Favored Glycine 0 C--N 1.355 1.608 0 O-C-N 123.347 0.404 . . . . 73.109999999999999 113.029 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.588 ' HB2' HG22 ' A' ' 97' ' ' ILE . 84.9 m-85 -125.21 155.27 40.29 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.113 0.565 . . . . 73.439999999999998 109.86 175.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -89.37 110.74 21.51 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.375 -0.972 . . . . 73.109999999999999 108.375 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.477 HG11 ' HB ' ' A' ' 97' ' ' ILE . 2.6 p -138.04 125.39 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 123.207 0.603 . . . . 70.209999999999994 111.272 -175.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -109.81 158.56 18.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.465 1.106 . . . . 64.140000000000001 109.442 172.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -129.27 127.84 42.0 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.24 1.016 . . . . 74.140000000000001 108.404 179.01 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.417 HG22 HD11 ' A' ' 81' ' ' LEU . 28.9 m -132.12 178.73 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.709 0.804 . . . . 74.409999999999997 110.946 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 85' ' ' GLN . 85.5 m -144.75 -30.03 0.45 Allowed 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 114.269 -1.332 . . . . 72.439999999999998 110.487 -174.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 112' ' ' GLU . 12.4 t70 -94.74 157.38 15.97 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 124.218 1.007 . . . . 74.219999999999999 110.815 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.06 -59.47 3.01 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.195 1.398 . . . . 42.340000000000003 111.906 -174.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.04 -26.09 62.94 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 120.927 0.394 . . . . 71.329999999999998 110.122 -176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.534 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -66.21 -36.14 82.28 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 124.108 0.963 . . . . 74.430000000000007 110.127 174.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -66.85 -43.77 82.77 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.088 0.155 . . . . 42.140000000000001 111.354 172.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.44 -39.18 92.54 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.774 0.829 . . . . 74.040000000000006 111.907 -175.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -69.82 -36.66 75.82 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.378 0.271 . . . . 71.099999999999994 110.761 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.68 HG21 HD13 ' A' ' 81' ' ' LEU . 44.4 mm -62.67 -42.1 94.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 123.421 0.688 . . . . 72.129999999999995 111.04 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 113' ' ' ALA . 99.7 t -60.26 -45.33 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 123.958 0.786 . . . . 72.349999999999994 110.437 177.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.91 -38.27 90.46 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.272 0.629 . . . . 73.239999999999995 111.233 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.56 -44.49 82.18 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.823 0.702 . . . . 74.030000000000001 110.569 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -54.98 -41.43 71.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.021 0.928 . . . . 64.400000000000006 111.309 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 75.8 mtp -65.33 -29.18 69.9 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.079 -0.964 . . . . 75.409999999999997 111.545 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -66.11 -45.82 79.79 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.642 0.377 . . . . 62.229999999999997 110.542 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -28.1 64.96 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.56 0.344 . . . . 74.299999999999997 110.554 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.1 -39.52 78.92 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.347 0.659 . . . . 65.219999999999999 110.403 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.73 -24.78 76.14 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-N 115.286 -0.87 . . . . 72.030000000000001 112.424 175.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.3 t -71.36 -22.58 61.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.782 0.833 . . . . 71.209999999999994 110.776 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.45 HD11 ' HG2' ' A' ' 77' ' ' LYS . 54.9 mt -86.97 -33.22 19.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.566 0.747 . . . . 62.409999999999997 110.304 175.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -71.87 -14.48 61.96 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.113 0.965 . . . . 70.219999999999999 111.029 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -42.0 134.21 2.76 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.553 1.141 . . . . 72.319999999999993 109.859 168.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -33.12 89.69 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 O-C-N 125.471 1.732 . . . . 73.120000000000005 113.246 -165.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -107.66 117.37 33.94 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 113.394 -1.73 . . . . 71.209999999999994 108.051 -170.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 53.3 p-80 -64.65 114.42 4.4 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 108.929 -0.767 . . . . 73.0 108.929 173.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -141.83 169.52 17.44 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.274 -0.639 . . . . 63.25 109.274 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 . . . . . 0 CA--C 1.556 1.189 0 CA-C-O 118.986 -0.531 . . . . 73.430000000000007 110.657 177.755 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 121.494 0.664 . . . . 63.149999999999999 109.797 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 50' ' ' ASN . 28.8 tptt -90.25 109.39 20.48 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 107.915 -1.142 . . . . 61.210000000000001 107.915 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.459 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 70.6 mt -94.55 105.07 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 109.333 -0.617 . . . . 74.319999999999993 109.333 -178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mp -101.99 136.33 42.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.412 0.685 . . . . 72.209999999999994 109.425 174.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 59.2 mt -114.69 111.26 35.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 107.266 -1.383 . . . . 60.200000000000003 107.266 166.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.527 ' HB3' HD23 ' A' ' 64' ' ' LEU . 65.6 mt -89.98 123.78 34.18 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.298 -0.63 . . . . 74.049999999999997 109.298 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.421 HG13 HG21 ' A' ' 18' ' ' ILE . 47.9 mm -115.37 115.17 48.55 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 C-N-CA 123.544 0.738 . . . . 72.439999999999998 109.295 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -117.09 101.66 8.67 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.922 -1.14 . . . . 74.239999999999995 107.922 168.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.521 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.4 t -132.23 136.61 47.12 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.054 0.454 . . . . 64.319999999999993 110.341 168.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -71.26 -19.02 62.4 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 114.871 -1.059 . . . . 63.420000000000002 110.319 175.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -89.85 106.83 18.73 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.524 1.13 . . . . 75.329999999999998 109.906 -175.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.08 -34.71 78.66 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.385 0.674 . . . . 53.100000000000001 111.831 -178.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 41.9 mt-10 -65.35 -36.04 82.82 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.182 0.593 . . . . 74.019999999999996 110.8 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' ' 113' ' ' ALA . 26.6 tp -71.63 -37.75 70.86 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.05 -0.523 . . . . 64.530000000000001 110.497 176.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.92 -48.95 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.018 0.527 . . . . 72.540000000000006 109.896 173.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 28.4 mtpp -53.36 -45.25 69.11 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.391 1.076 . . . . 72.219999999999999 111.861 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.569 ' HE2' HD11 ' A' ' 114' ' ' LEU . 58.0 mtpt -70.42 -36.59 74.09 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.893 -0.594 . . . . 70.030000000000001 111.684 -176.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.421 HG21 HG13 ' A' ' 7' ' ' ILE . 88.7 mt -69.55 -31.52 49.32 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 123.114 0.566 . . . . 52.119999999999997 110.584 178.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 2.1 mptm? -58.96 -52.96 63.52 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 109.433 -0.58 . . . . 75.319999999999993 109.433 169.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -56.72 -36.72 70.03 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 123.908 0.755 . . . . 73.230000000000004 111.607 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -60.66 -51.83 67.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.161 0.585 . . . . 72.519999999999996 111.58 173.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.581 ' HB ' ' HB2' ' A' ' 27' ' ' TYR . 9.2 m -75.36 -20.16 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 N-CA-C 112.403 0.52 . . . . 64.409999999999997 112.403 -175.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 20.0 mm-40 -67.74 -42.69 81.45 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.125 0.57 . . . . 75.510000000000005 109.995 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -61.29 -27.59 68.58 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 114.776 -1.102 . . . . 74.450000000000003 111.457 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -96.56 -14.49 22.21 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.867 0.867 . . . . 64.430000000000007 112.185 -176.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.97 29.65 33.85 Favored Glycine 0 C--N 1.346 1.103 0 N-CA-C 114.2 0.44 . . . . 65.319999999999993 114.2 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.581 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 1.9 m-85 -81.36 150.72 28.31 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.172 0.589 . . . . 74.430000000000007 109.821 171.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.75 157.91 25.67 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.231 -1.026 . . . . 64.349999999999994 108.231 170.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.4 t -130.97 111.1 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 122.91 0.484 . . . . 64.129999999999995 109.789 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.51 ' HG2' ' HG3' ' A' ' 41' ' ' GLU . 14.5 tpt180 -104.7 120.8 42.19 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.286 -0.635 . . . . 60.409999999999997 109.286 169.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -89.99 120.61 31.34 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.794 0.838 . . . . 74.420000000000002 109.149 171.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.483 HG13 ' HB2' ' A' ' 37' ' ' GLU . 98.4 t -109.82 130.35 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.414 1.085 . . . . 51.039999999999999 108.593 177.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -109.46 -52.37 2.78 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.753 0.821 . . . . 71.510000000000005 108.787 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -111.08 160.35 16.96 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 114.789 -1.096 . . . . 72.340000000000003 111.334 -171.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.7 m -58.99 -26.83 64.84 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.216 1.406 . . . . 63.340000000000003 112.453 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 4.5 t70 -56.76 -56.3 23.2 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.8 0.84 . . . . 73.0 110.874 172.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 34.0 mt-10 -60.2 -36.59 78.01 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.794 -0.639 . . . . 75.439999999999998 110.897 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.402 HD22 HD22 ' A' ' 63' ' ' LEU . 58.8 tp -55.32 -61.49 2.3 Favored 'General case' 0 C--O 1.246 0.911 0 O-C-N 124.172 0.92 . . . . 74.129999999999995 111.181 176.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.493 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.85 -32.02 73.52 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 123.485 0.491 . . . . 73.450000000000003 112.009 -174.425 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 8.9 mtmp? -57.59 -50.65 72.42 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.478 0.311 . . . . 74.109999999999999 110.76 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.51 ' HG3' ' HG2' ' A' ' 30' ' ' ARG . 14.3 mm-40 -66.62 -37.42 84.83 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.112 0.882 . . . . 71.439999999999998 110.251 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 mmt -61.17 -40.74 95.02 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.142 0.577 . . . . 75.430000000000007 111.916 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 5.5 mptp? -62.41 -46.28 89.32 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 109.548 -0.538 . . . . 74.319999999999993 109.548 173.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HA ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -61.75 -35.73 78.94 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.15 0.58 . . . . 71.310000000000002 111.876 -178.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 89.8 mt -73.84 -33.92 64.31 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.474 0.31 . . . . 44.32 110.297 -178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.54 -42.45 67.88 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.861 0.464 . . . . 73.140000000000001 111.948 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -80.58 -52.36 7.68 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.811 0.844 . . . . 73.099999999999994 111.756 -172.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -75.91 170.2 16.69 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.334 0.654 . . . . 62.399999999999999 111.427 -174.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -64.39 115.08 4.75 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.276 1.03 . . . . 73.439999999999998 110.008 -171.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.439 ' HA ' ' HD3' ' A' ' 2' ' ' LYS . 5.2 t-20 -82.01 27.38 0.47 Allowed 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 124.206 1.002 . . . . 74.019999999999996 113.101 -162.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -115.22 112.27 22.23 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.487 -0.758 . . . . 74.319999999999993 109.662 160.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -172.46 153.77 2.99 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.197 1.399 . . . . 74.439999999999998 109.302 166.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 37.1 mtmm -103.77 110.13 22.11 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.3 -0.864 . . . . 74.5 109.132 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 55.7 mt -127.96 126.75 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.681 0.792 . . . . 75.099999999999994 110.1 -174.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.534 HD13 HG11 ' A' ' 22' ' ' VAL . 19.8 tp -79.15 124.81 28.68 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 124.097 0.959 . . . . 34.310000000000002 108.796 166.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.4 mm -109.57 115.16 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 108.483 -0.932 . . . . 70.239999999999995 108.483 170.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -90.76 140.8 29.44 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.053 -1.091 . . . . 55.130000000000003 108.053 171.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.627 ' HB3' HD11 ' A' ' 64' ' ' LEU . 29.6 t -164.58 117.93 1.33 Allowed 'General case' 0 C--O 1.241 0.612 0 N-CA-C 108.235 -1.024 . . . . 72.040000000000006 108.235 168.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -76.18 -11.69 59.97 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.643 0.777 . . . . 51.399999999999999 111.781 -177.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -97.15 114.7 26.42 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 108.774 -0.824 . . . . 64.140000000000001 108.774 170.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.545 ' HA ' HD13 ' A' ' 64' ' ' LEU . 4.3 pttp -76.94 -20.81 55.71 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.531 0.732 . . . . 74.109999999999999 112.826 -173.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -63.6 -40.24 96.42 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 118.316 0.507 . . . . 74.049999999999997 109.633 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.402 HD22 HD22 ' A' ' 38' ' ' LEU . 88.5 mt -55.75 -34.29 65.07 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 124.153 0.908 . . . . 70.549999999999997 111.897 176.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.3 mp -74.81 -42.09 58.71 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.189 0.596 . . . . 73.25 111.314 -177.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -67.72 -43.51 79.85 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 122.558 0.343 . . . . 75.099999999999994 110.103 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.12 -37.75 83.91 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 114.947 -1.024 . . . . 71.120000000000005 110.56 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.444 ' SD ' HD21 ' A' ' 6' ' ' LEU . 33.3 ttm -62.21 -44.9 95.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.86 0.864 . . . . 71.129999999999995 110.011 177.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.99 -28.33 69.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.962 0.905 . . . . 74.120000000000005 111.725 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.45 -24.39 60.22 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.476 0.71 . . . . 73.349999999999994 111.091 175.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.8 mt -84.91 -35.02 22.4 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 123.255 0.622 . . . . 62.32 110.256 172.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.597 HD13 HG21 ' A' ' 78' ' ' VAL . 84.5 mt -71.14 -29.21 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 124.913 1.285 . . . . 72.310000000000002 111.392 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.9 p -59.69 -30.48 68.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.055 0.542 . . . . 53.100000000000001 111.101 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -82.01 -32.09 30.7 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.527 0.731 . . . . 73.129999999999995 110.798 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.8 mt -75.27 -47.6 27.25 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.51 0.724 . . . . 71.409999999999997 111.12 -177.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.79 71.77 1.23 Allowed Glycine 0 C--N 1.342 0.886 0 CA-C-N 115.907 -0.588 . . . . 52.32 113.606 173.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -152.95 166.99 30.65 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.45 0.537 . . . . 73.049999999999997 112.45 172.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.461 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 11.3 mmpt? -82.29 130.12 35.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.586 1.154 . . . . 73.140000000000001 111.066 -175.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.597 HG21 HD13 ' A' ' 71' ' ' ILE . 48.6 t -131.34 134.49 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.823 0.849 . . . . 64.109999999999999 109.698 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -114.66 109.43 18.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.32 1.048 . . . . 74.099999999999994 108.867 -175.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.7 tp -99.15 139.67 34.46 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.625 0.77 . . . . 74.409999999999997 111.287 -174.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.519 HD13 HG21 ' A' ' 116' ' ' ILE . 45.3 tp -132.61 126.19 32.16 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.697 1.199 . . . . 72.040000000000006 108.994 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.59 ' HB3' HD22 ' A' ' 90' ' ' LEU . 91.9 mt -114.97 130.33 56.91 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.958 1.303 . . . . 72.040000000000006 108.702 -178.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.521 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -148.19 111.74 5.01 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.615 0.643 . . . . 64.549999999999997 111.475 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.507 ' HB3' HD11 ' A' ' 90' ' ' LEU . 11.6 t0 -164.56 153.93 13.45 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.012 0.925 . . . . 62.32 108.924 -178.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -59.69 -36.92 77.47 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.197 0.999 . . . . 73.120000000000005 110.878 178.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -82.5 81.66 8.23 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.956 0.884 . . . . 71.540000000000006 108.776 175.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.61 -14.18 59.71 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.569 -1.196 . . . . 75.510000000000005 111.622 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -65.21 -55.62 17.48 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.286 1.035 . . . . 61.210000000000001 111.214 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -70.62 -31.51 68.5 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.202 -0.454 . . . . 73.299999999999997 110.121 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 82' ' ' LEU . 59.1 mt -60.03 -42.19 93.88 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.374 0.421 . . . . 65.439999999999998 111.143 171.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -66.63 -43.12 85.57 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.09 0.556 . . . . 71.109999999999999 110.187 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.49 ' HA ' ' HD3' ' A' ' 95' ' ' ARG . 0.4 OUTLIER -68.34 -35.87 78.41 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 115.857 -0.61 . . . . 62.43 110.134 179.762 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -68.52 -46.71 68.86 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 115.309 -0.86 . . . . 74.140000000000001 111.302 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.63 -26.04 67.64 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.742 0.417 . . . . 71.239999999999995 111.789 -177.05 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.49 ' HD3' ' HA ' ' A' ' 92' ' ' GLU . 41.7 mtp85 -60.5 -39.24 87.03 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.718 0.807 . . . . 74.209999999999994 111.33 173.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.56 -27.78 60.65 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.49 0.716 . . . . 62.109999999999999 110.905 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 25.6 mm -74.52 -34.73 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-O 121.311 0.576 . . . . 74.319999999999993 109.692 176.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.91 -35.42 81.1 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.982 -1.008 . . . . 64.420000000000002 110.253 171.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -70.76 -31.56 68.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.462 0.705 . . . . 64.150000000000006 110.767 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -76.32 -19.71 57.97 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.38 0.672 . . . . 73.519999999999996 110.479 172.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.86 40.66 16.68 Favored Glycine 0 C--N 1.348 1.237 0 CA-C-N 116.103 -0.499 . . . . 64.420000000000002 113.557 173.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.72 157.09 18.86 Favored 'General case' 0 C--O 1.246 0.882 0 C-N-CA 123.429 0.692 . . . . 75.019999999999996 109.594 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.51 123.33 19.36 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 108.599 -0.889 . . . . 75.519999999999996 108.599 171.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.3 p -141.43 137.08 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.348 0.659 . . . . 75.519999999999996 110.318 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -131.34 130.64 42.94 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.524 0.73 . . . . 71.450000000000003 110.146 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.41 117.82 35.55 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.119 -1.437 . . . . 75.340000000000003 107.119 173.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.58 158.32 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.127 0.971 . . . . 63.43 109.671 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.8 p -134.33 0.78 3.11 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.297 0.639 . . . . 62.229999999999997 111.436 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -117.35 147.02 43.0 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 108.898 -0.778 . . . . 62.109999999999999 108.898 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.05 -39.64 79.02 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.396 0.435 . . . . 60.450000000000003 110.663 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.41 -37.5 87.54 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.134 0.574 . . . . 73.439999999999998 110.541 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.561 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -72.33 -32.27 66.37 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.098 -0.955 . . . . 65.409999999999997 109.775 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.406 ' HB3' HD11 ' A' ' 14' ' ' LEU . . . -67.88 -44.16 77.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.58 0.352 . . . . 43.420000000000002 111.33 173.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.569 HD11 ' HE2' ' A' ' 17' ' ' LYS . 95.1 mt -60.24 -45.21 94.04 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.684 0.615 . . . . 75.209999999999994 111.754 -178.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -63.29 -35.71 81.28 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 123.442 0.464 . . . . 72.519999999999996 110.38 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 112' ' ' GLU . 47.8 mm -66.94 -40.02 84.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 123.297 0.639 . . . . 74.310000000000002 110.859 177.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.448 ' O ' ' HG2' ' A' ' 121' ' ' MET . 93.2 t -62.72 -39.62 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.034 0.534 . . . . 72.099999999999994 110.262 176.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 21.1 mtp180 -64.46 -39.96 94.8 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.791 0.837 . . . . 65.420000000000002 111.0 178.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.475 ' HB3' ' NZ ' ' A' ' 123' ' ' LYS . 41.6 mt-10 -71.42 -35.4 70.97 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.407 -0.815 . . . . 75.099999999999994 111.032 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -61.42 -28.61 69.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.908 0.883 . . . . 75.430000000000007 111.088 175.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 25.3 mmt -71.25 -33.17 69.57 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.137 0.575 . . . . 74.120000000000005 110.939 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.57 -42.71 58.26 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 109.327 -0.62 . . . . 72.310000000000002 109.327 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.475 ' NZ ' ' HB3' ' A' ' 119' ' ' GLU . 57.4 mttp -64.85 -40.19 94.76 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.45 -1.25 . . . . 70.219999999999999 110.673 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.452 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -69.22 -37.65 78.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.703 0.801 . . . . 51.420000000000002 110.452 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -68.0 -25.68 74.26 Favored Glycine 0 C--N 1.351 1.413 0 CA-C-N 115.427 -0.806 . . . . 44.130000000000003 112.955 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.457 ' HA ' ' HB2' ' A' ' 130' ' ' HIS . 50.5 m -65.02 -32.93 74.89 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.566 0.747 . . . . 63.130000000000003 111.017 176.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 37.8 mt -74.76 -38.68 62.13 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.265 1.026 . . . . 70.510000000000005 111.896 -173.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.19 -75.29 0.12 Allowed 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.403 -0.817 . . . . 72.239999999999995 112.268 -170.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -154.96 32.82 0.39 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 121.12 0.486 . . . . 64.140000000000001 109.847 -168.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.457 ' HB2' ' HA ' ' A' ' 126' ' ' SER . 22.6 t-80 -62.21 -25.58 67.88 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.74 0.816 . . . . 75.519999999999996 111.719 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -71.48 79.05 0.78 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.027 0.531 . . . . 62.310000000000002 109.687 170.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -81.46 87.45 6.2 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 121.71 0.767 . . . . 75.519999999999996 109.921 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -153.55 -11.2 0.15 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.95 0.9 . . . . 74.329999999999998 110.548 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 24.1 t60 . . . . . 0 C--O 1.25 1.109 0 N-CA-C 106.433 -1.691 . . . . 72.510000000000005 106.433 -176.332 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.902 0.382 . . . . 74.540000000000006 110.071 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 27.8 mtpp -131.06 151.76 51.09 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.408 -1.33 . . . . 73.420000000000002 107.408 172.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.484 ' HB ' ' HG2' ' A' ' 53' ' ' LYS . 65.5 mt -111.35 104.07 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 108.093 -1.077 . . . . 74.109999999999999 108.093 174.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.473 HD21 HD13 ' A' ' 45' ' ' LEU . 10.6 mp -113.8 123.48 49.92 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 109.376 -0.602 . . . . 73.239999999999995 109.376 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.9 mt -99.6 109.74 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 107.935 -1.135 . . . . 75.019999999999996 107.935 172.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.468 HD11 ' SD ' ' A' ' 67' ' ' MET . 0.4 OUTLIER -87.42 123.34 32.25 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.985 -1.007 . . . . 61.32 108.487 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.9 mm -115.97 129.45 72.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 109.13 -0.692 . . . . 61.409999999999997 109.13 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.495 ' HB2' HD21 ' A' ' 64' ' ' LEU . 55.0 t-20 -135.4 104.47 5.86 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 107.202 -1.407 . . . . 54.149999999999999 107.202 169.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.493 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 3.6 t -128.42 142.83 50.98 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.535 -0.757 . . . . 74.049999999999997 110.273 172.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -72.94 -24.02 60.75 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 114.811 -1.086 . . . . 73.530000000000001 110.263 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -83.92 106.57 15.7 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.744 -0.835 . . . . 72.040000000000006 108.744 -178.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.75 -35.45 81.12 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.614 0.766 . . . . 63.240000000000002 111.488 -175.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 42.6 mt-10 -72.92 -30.56 64.0 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.727 -0.669 . . . . 73.510000000000005 110.582 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.423 HD23 ' OG1' ' A' ' 9' ' ' THR . 32.6 tp -66.3 -35.42 80.34 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.92 0.488 . . . . 71.209999999999994 110.181 174.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.432 HG21 ' HE3' ' A' ' 57' ' ' LYS . 88.8 mt -56.35 -50.56 71.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 123.459 0.474 . . . . 71.219999999999999 109.797 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -53.32 -38.87 63.59 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 124.431 1.082 . . . . 70.439999999999998 111.025 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 28.3 mtpp -72.24 -50.73 25.1 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.891 0.876 . . . . 74.040000000000006 111.106 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.401 HG23 HG21 ' A' ' 117' ' ' VAL . 76.7 mt -60.33 -34.76 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.961 0.904 . . . . 64.409999999999997 111.245 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HE3' HG11 ' A' ' 29' ' ' VAL . 60.1 mtpt -59.43 -51.01 71.73 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 123.242 0.617 . . . . 54.149999999999999 109.746 173.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -65.42 -28.55 69.33 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.307 0.643 . . . . 74.129999999999995 112.193 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.52 -54.04 45.85 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.293 0.637 . . . . 73.200000000000003 110.331 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.709 HG11 HD13 ' A' ' 55' ' ' LEU . 18.8 m -76.45 -29.78 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 116.175 -0.466 . . . . 64.519999999999996 111.823 -173.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -61.94 -40.57 95.97 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.544 0.737 . . . . 71.230000000000004 109.815 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.77 -37.51 86.94 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.1 -0.954 . . . . 63.109999999999999 110.848 174.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -81.61 -12.68 58.64 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.475 0.71 . . . . 50.149999999999999 111.78 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.29 38.21 5.14 Favored Glycine 0 C--N 1.351 1.376 0 N-CA-C 114.264 0.466 . . . . 54.100000000000001 114.264 173.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.461 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 7.1 m-85 -101.87 144.32 30.67 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.84 0.856 . . . . 72.230000000000004 110.289 176.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -79.75 113.41 17.88 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.484 -0.932 . . . . 72.420000000000002 108.484 174.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.573 HG11 ' HE3' ' A' ' 19' ' ' LYS . 45.2 t -79.98 119.15 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 109.358 -0.608 . . . . 64.340000000000003 109.358 176.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -122.03 133.22 54.8 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.462 1.105 . . . . 63.409999999999997 108.05 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -111.95 116.51 30.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.119 0.968 . . . . 43.140000000000001 111.979 -163.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.407 HG12 HD13 ' A' ' 63' ' ' LEU . 22.4 t -105.96 121.27 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.832 0.853 . . . . 60.219999999999999 109.126 171.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -113.61 -25.74 8.58 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.029 0.532 . . . . 63.32 111.573 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.467 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 26.7 t70 -141.26 168.05 20.71 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 122.695 0.398 . . . . 73.319999999999993 110.965 -167.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.5 t -68.13 -37.11 80.73 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.525 1.13 . . . . 75.319999999999993 111.601 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.96 -50.42 64.39 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 108.873 -0.788 . . . . 75.439999999999998 108.873 175.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.467 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 67.2 mm-40 -51.57 -44.76 62.86 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 124.285 0.99 . . . . 74.329999999999998 110.333 176.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.1 tp -55.35 -61.92 2.02 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.767 1.292 . . . . 64.510000000000005 111.012 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -33.38 75.79 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.368 0.417 . . . . 74.310000000000002 111.806 -172.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 11.2 mmmm -59.65 -63.52 1.27 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.324 0.649 . . . . 73.420000000000002 110.157 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 10.7 pt-20 -75.12 -24.6 58.07 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.896 -0.593 . . . . 54.350000000000001 112.246 -172.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.708 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 12.0 mtp -72.06 -41.69 67.1 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.005 0.522 . . . . 75.409999999999997 111.838 178.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.52 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 11.6 mtpp -68.45 -24.34 64.71 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.959 -0.543 . . . . 74.540000000000006 110.52 176.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -70.65 -31.06 67.86 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 110.129 -0.322 . . . . 74.219999999999999 110.129 171.02 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.473 HD13 HD21 ' A' ' 4' ' ' LEU . 94.0 mt -73.08 -34.5 66.26 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.241 0.617 . . . . 74.549999999999997 110.957 176.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.71 -31.07 63.21 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.366 -0.833 . . . . 31.010000000000002 110.925 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 44.4 mt-10 -77.16 -61.26 2.04 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.176 -0.676 . . . . 72.439999999999998 109.176 172.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -87.8 83.98 7.08 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.791 1.236 . . . . 64.200000000000003 109.549 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HA ' ' HD2' ' A' ' 2' ' ' LYS . 10.2 mtmp? -89.89 22.61 3.08 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 114.794 -1.094 . . . . 70.140000000000001 111.443 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.636 HD22 ' HB2' ' A' ' 52' ' ' GLU . 10.7 t30 -50.66 133.57 25.51 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.996 1.319 . . . . 51.420000000000002 111.354 175.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -63.4 93.73 0.07 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.47 -0.937 . . . . 64.310000000000002 108.47 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.636 ' HB2' HD22 ' A' ' 50' ' ' ASN . 37.0 tt0 -141.19 138.24 33.22 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 114.915 -1.039 . . . . 63.229999999999997 108.935 -172.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HG2' ' HB ' ' A' ' 3' ' ' ILE . 52.8 mtmt -95.15 98.66 10.8 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.933 0.893 . . . . 75.219999999999999 109.442 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.7 mt -112.44 126.29 69.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 123.885 0.874 . . . . 74.409999999999997 109.46 -173.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.709 HD13 HG11 ' A' ' 22' ' ' VAL . 15.6 tp -79.93 107.44 12.71 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 107.957 -1.127 . . . . 64.329999999999998 107.957 167.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.2 mm -90.6 105.69 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 107.507 -1.294 . . . . 72.239999999999995 107.507 173.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HE3' HG21 ' A' ' 15' ' ' ILE . 12.8 tmtt? -91.66 145.71 24.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.363 -0.835 . . . . 75.010000000000005 108.862 177.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.512 ' HB3' HD11 ' A' ' 64' ' ' LEU . 35.1 t -157.38 170.7 21.85 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 124.103 0.961 . . . . 73.019999999999996 108.987 171.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -135.1 14.76 3.54 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.183 0.993 . . . . 72.400000000000006 110.877 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -149.02 118.94 7.1 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.528 0.731 . . . . 72.200000000000003 110.272 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.451 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -63.48 -21.53 66.37 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.217 1.007 . . . . 63.420000000000002 113.372 -175.623 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 14.0 mm100 -69.65 -39.22 77.21 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 109.153 -0.684 . . . . 72.099999999999994 109.153 -178.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.407 HD13 HG12 ' A' ' 32' ' ' VAL . 81.2 mt -58.36 -36.85 74.09 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 124.086 0.866 . . . . 71.230000000000004 110.604 173.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 58' ' ' SER . 9.0 mp -72.05 -35.46 69.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.724 0.81 . . . . 73.340000000000003 111.29 -179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 55.7 mtpt -60.89 -50.07 74.92 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.606 -0.516 . . . . 72.510000000000005 109.606 176.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 8.4 mm-40 -66.66 -32.73 74.23 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.437 1.086 . . . . 73.239999999999995 111.041 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.708 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 44.0 ttm -64.01 -55.3 23.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.011 0.924 . . . . 73.120000000000005 110.285 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 80.1 mt -69.64 -17.35 63.51 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.754 -1.112 . . . . 74.239999999999995 112.695 -173.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 36.0 mm-40 -60.54 -51.88 67.53 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.804 0.442 . . . . 73.239999999999995 110.501 170.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.75 -36.57 73.19 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.556 -0.747 . . . . 40.409999999999997 110.385 -178.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.453 HG21 HG21 ' A' ' 78' ' ' VAL . 58.5 mt -67.24 -31.83 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 115.705 -0.679 . . . . 64.109999999999999 111.507 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.4 m -58.37 -37.29 74.93 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.061 0.545 . . . . 43.149999999999999 111.181 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -74.2 -32.96 63.26 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.947 0.899 . . . . 74.010000000000005 110.999 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.5 mt -78.06 -31.98 50.59 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.725 -0.67 . . . . 64.540000000000006 110.467 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.79 82.18 0.07 OUTLIER Glycine 0 C--N 1.346 1.087 0 C-N-CA 124.488 1.042 . . . . 71.150000000000006 114.88 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -148.86 165.17 32.33 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.207 0.527 . . . . 72.120000000000005 111.49 173.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -77.16 102.89 6.79 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.032 -0.986 . . . . 72.109999999999999 111.409 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.453 HG21 HG21 ' A' ' 71' ' ' ILE . 87.8 t -98.46 131.61 45.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-N 114.691 -1.14 . . . . 74.040000000000006 108.928 168.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -102.96 103.46 13.58 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 108.257 -1.016 . . . . 73.209999999999994 108.257 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 6' ' ' LEU . 23.8 tp -95.53 135.69 36.86 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.547 0.739 . . . . 72.209999999999994 110.622 -178.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.476 HD21 ' HB1' ' A' ' 113' ' ' ALA . 57.5 tp -121.57 129.89 53.15 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.257 1.023 . . . . 71.239999999999995 108.842 173.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.545 ' HB3' HD22 ' A' ' 90' ' ' LEU . 96.0 mt -115.18 102.47 9.93 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.389 -0.967 . . . . 52.409999999999997 108.389 175.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.493 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -117.04 108.23 15.5 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.28 0.562 . . . . 70.219999999999999 110.144 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.539 ' HB3' HD11 ' A' ' 90' ' ' LEU . 18.1 t0 -171.24 142.66 1.77 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 108.232 -1.025 . . . . 53.130000000000003 108.232 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -73.99 -18.52 60.85 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.855 -0.612 . . . . 71.219999999999999 110.985 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -82.21 76.76 9.07 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 107.441 -1.318 . . . . 65.219999999999999 107.441 163.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.602 ' HB2' ' HE2' ' A' ' 106' ' ' LYS . 7.7 pt-20 -78.16 -14.73 59.35 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.676 -1.147 . . . . 65.209999999999994 111.8 -175.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -62.3 -51.35 68.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.859 0.864 . . . . 71.040000000000006 110.83 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.53 -31.86 65.65 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.287 -0.415 . . . . 74.409999999999997 110.649 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 82' ' ' LEU . 62.0 mt -59.8 -42.19 92.89 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 110.261 -0.274 . . . . 61.43 110.261 173.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -59.94 -51.48 69.49 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 124.09 0.869 . . . . 72.439999999999998 109.879 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -53.79 -50.19 66.63 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.16 0.913 . . . . 61.229999999999997 110.648 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -63.13 -51.48 66.34 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 124.368 1.042 . . . . 65.219999999999999 111.623 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -64.87 -21.28 66.78 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 122.69 0.396 . . . . 74.140000000000001 111.955 -175.668 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -68.31 -32.64 72.91 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.968 0.507 . . . . 73.209999999999994 111.717 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -72.05 -41.65 67.19 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.243 0.544 . . . . 64.209999999999994 110.208 172.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.434 HG22 ' HB2' ' A' ' 102' ' ' TYR . 22.5 mm -74.55 -42.82 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 115.267 -0.879 . . . . 64.319999999999993 111.142 -169.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -69.09 -30.91 69.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.234 1.014 . . . . 64.109999999999999 110.483 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.9 t -63.51 -33.96 76.74 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.44 0.696 . . . . 61.340000000000003 111.022 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.405 HE21 ' HA ' ' A' ' 97' ' ' ILE . 47.7 mt-30 -80.57 -3.07 48.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.732 0.813 . . . . 64.049999999999997 111.703 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.05 9.46 67.62 Favored Glycine 0 C--N 1.348 1.202 0 N-CA-C 113.79 0.276 . . . . 61.420000000000002 113.79 175.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.434 ' HB2' HG22 ' A' ' 97' ' ' ILE . 88.5 m-85 -75.65 149.27 38.22 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 109.538 -0.541 . . . . 75.5 109.538 172.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -87.44 100.13 12.52 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 108.578 -0.897 . . . . 74.439999999999998 108.578 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.9 p -125.7 117.43 49.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 122.926 0.49 . . . . 72.319999999999993 110.389 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -101.23 135.47 42.65 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.513 -0.767 . . . . 75.409999999999997 109.098 173.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.602 ' HE2' ' HB2' ' A' ' 87' ' ' GLU . 13.1 tmtt? -113.44 117.65 32.33 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.68 1.192 . . . . 75.200000000000003 108.681 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 23.8 m -136.79 -174.1 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.925 1.29 . . . . 62.020000000000003 109.52 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.8 p -122.73 -63.74 1.24 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.399 0.68 . . . . 55.210000000000001 111.378 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -85.89 171.12 11.74 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.03 0.919 . . . . 73.409999999999997 113.334 -167.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.416 ' HB3' HD13 ' A' ' 14' ' ' LEU . 4.4 m-20 -74.38 -51.54 14.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 114.053 -1.431 . . . . 63.140000000000001 111.237 -169.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -55.49 -36.84 67.09 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.83 0.852 . . . . 52.149999999999999 111.57 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.574 ' O ' HG12 ' A' ' 116' ' ' ILE . 21.2 tp10 -75.33 -41.64 56.29 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 123.547 0.739 . . . . 74.409999999999997 109.952 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.476 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -59.09 -39.57 82.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.683 0.393 . . . . 73.140000000000001 111.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 74.6 mt -59.24 -51.8 68.43 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.033 0.933 . . . . 63.219999999999999 111.599 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -66.61 -32.87 74.48 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.42 0.45 . . . . 73.310000000000002 111.072 -176.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 112' ' ' GLU . 48.3 mm -64.26 -41.88 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.146 0.578 . . . . 75.540000000000006 110.524 177.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.506 ' O ' ' SD ' ' A' ' 121' ' ' MET . 79.7 t -56.56 -50.97 71.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 O-C-N 123.801 0.688 . . . . 64.519999999999996 109.807 174.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.507 ' HA ' ' SD ' ' A' ' 121' ' ' MET . 59.4 mtp85 -63.78 -26.68 68.75 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 124.031 0.832 . . . . 65.040000000000006 111.212 -176.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -75.57 -35.26 60.65 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.401 0.68 . . . . 73.040000000000006 111.467 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.447 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 11.7 m-85 -54.58 -49.79 69.54 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.145 0.578 . . . . 74.409999999999997 112.223 178.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.553 ' HA ' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -67.25 -21.02 65.75 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 123.513 0.508 . . . . 70.319999999999993 111.865 178.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -66.95 -44.3 80.95 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.292 0.496 . . . . 72.340000000000003 110.478 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -72.33 -31.95 66.1 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.513 0.325 . . . . 75.219999999999999 110.573 174.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' A' ' 121' ' ' MET . . . -72.31 -12.19 61.03 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.596 0.758 . . . . 62.32 111.222 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.35 -38.35 96.12 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 112.093 -0.403 . . . . 72.040000000000006 112.093 171.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.5 m -61.92 -30.78 71.13 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.695 0.798 . . . . 74.510000000000005 111.602 174.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 58.4 mt -82.49 -35.21 27.62 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.498 0.719 . . . . 73.400000000000006 110.6 -175.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -57.23 -51.04 70.96 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 124.098 0.874 . . . . 72.129999999999995 109.697 173.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -78.6 99.2 6.45 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.246 -1.343 . . . . 74.25 108.08 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -54.51 125.67 20.56 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.191 0.996 . . . . 74.430000000000007 111.464 -171.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -49.63 104.6 0.07 Allowed 'General case' 0 CA--C 1.553 1.075 0 O-C-N 124.852 1.345 . . . . 74.430000000000007 113.893 -168.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -75.59 78.8 2.59 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.034 1.333 . . . . 75.140000000000001 108.813 175.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -138.78 57.97 1.66 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.878 0.871 . . . . 72.140000000000001 109.238 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 . . . . . 0 C--O 1.251 1.14 0 CA-C-N 114.578 -1.192 . . . . 75.200000000000003 109.326 179.077 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.773 -0.455 . . . . 72.120000000000005 109.773 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.46 ' HG3' ' H ' ' A' ' 52' ' ' GLU . 10.8 ttmm -158.26 149.67 21.15 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 107.589 -1.263 . . . . 74.230000000000004 107.589 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.518 HD13 ' HB1' ' A' ' 124' ' ' ALA . 73.0 mt -111.66 103.61 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 109.497 -0.557 . . . . 63.219999999999999 109.497 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.507 HD21 HD13 ' A' ' 45' ' ' LEU . 10.9 mp -107.66 131.18 54.67 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.53 -0.915 . . . . 63.420000000000002 108.53 174.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.543 HG12 ' HB2' ' A' ' 79' ' ' PHE . 20.8 mt -109.86 114.62 47.49 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 108.123 -1.066 . . . . 70.400000000000006 108.123 170.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.541 HD21 ' SD ' ' A' ' 67' ' ' MET . 77.2 mt -89.79 133.68 34.58 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.468 0.707 . . . . 71.230000000000004 109.106 178.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.8 mm -124.11 116.65 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.925 -0.769 . . . . 71.450000000000003 108.925 178.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.439 ' OD1' ' HB3' ' A' ' 61' ' ' LYS . 5.2 t-20 -128.01 102.16 6.62 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 108.294 -1.002 . . . . 72.099999999999994 108.294 166.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 t -127.78 139.67 52.52 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 107.809 -1.182 . . . . 74.310000000000002 107.809 170.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -69.67 -39.68 76.87 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.358 0.411 . . . . 71.129999999999995 110.258 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -76.78 93.96 3.78 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.508 -0.769 . . . . 54.229999999999997 109.009 174.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.74 -22.16 66.92 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.357 1.463 . . . . 61.310000000000002 112.624 -171.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.62 -30.69 70.33 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.26 0.624 . . . . 72.319999999999993 111.311 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' A' ' 110' ' ' ASP . 27.9 tp -61.7 -35.15 77.19 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.051 0.54 . . . . 62.140000000000001 110.962 175.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.694 HG21 ' HG3' ' A' ' 57' ' ' LYS . 68.4 mt -58.57 -35.98 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 123.252 0.621 . . . . 74.340000000000003 110.784 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -63.7 -34.98 79.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 123.438 0.461 . . . . 73.409999999999997 110.053 -178.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.583 ' HE2' HD11 ' A' ' 114' ' ' LEU . 45.5 mtpt -74.7 -43.77 53.42 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.786 0.834 . . . . 74.230000000000004 110.485 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.3 mt -61.7 -38.13 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.3 1.04 . . . . 72.219999999999999 110.187 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HE2' HG11 ' A' ' 29' ' ' VAL . 9.2 mtpm? -57.55 -50.41 73.2 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 115.348 -0.842 . . . . 71.219999999999999 109.583 176.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -63.34 -33.75 76.21 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 123.42 0.45 . . . . 72.140000000000001 111.814 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -65.66 -43.42 89.4 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.031 0.532 . . . . 65.5 111.872 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.653 HG11 HD13 ' A' ' 55' ' ' LEU . 10.8 m -76.64 -26.98 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 122.176 0.19 . . . . 61.140000000000001 110.693 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.75 -32.8 73.66 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.872 0.869 . . . . 62.210000000000001 109.929 176.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -61.71 -35.21 77.38 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.53 0.732 . . . . 60.340000000000003 110.79 171.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -90.1 -9.35 48.71 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.426 0.69 . . . . 62.310000000000002 110.987 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.11 31.35 20.33 Favored Glycine 0 C--N 1.349 1.286 0 N-CA-C 114.473 0.549 . . . . 51.439999999999998 114.473 173.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -82.09 148.03 28.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.256 0.623 . . . . 73.340000000000003 109.679 172.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.37 158.35 27.43 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.348 -0.982 . . . . 73.549999999999997 108.348 165.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.452 HG13 HD23 ' A' ' 55' ' ' LEU . 31.9 t -131.96 119.22 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 122.826 0.45 . . . . 75.120000000000005 109.84 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -131.3 159.21 38.52 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 108.898 -0.779 . . . . 74.150000000000006 108.898 169.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -127.41 136.89 52.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.048 0.539 . . . . 71.129999999999995 111.285 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.4 t -100.34 115.02 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.487 1.115 . . . . 73.409999999999997 108.668 174.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -89.44 -31.16 17.84 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.844 0.458 . . . . 61.329999999999998 110.988 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -144.57 160.72 40.68 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.921 0.488 . . . . 72.530000000000001 111.325 -174.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -56.25 -29.67 61.38 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.117 1.367 . . . . 75.340000000000003 112.642 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.542 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 21.8 t70 -57.71 -56.15 25.66 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 123.723 0.639 . . . . 73.450000000000003 110.181 175.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.58 -41.26 94.29 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.989 0.805 . . . . 70.030000000000001 110.761 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 tp -48.51 -62.28 1.58 Allowed 'General case' 0 C--N 1.352 0.707 0 O-C-N 125.006 1.441 . . . . 62.350000000000001 111.228 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -70.18 -33.06 71.27 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 123.423 0.452 . . . . 73.310000000000002 111.932 -175.369 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -58.41 -51.66 68.91 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.662 0.385 . . . . 62.340000000000003 110.997 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 7.8 pt-20 -80.21 -27.97 38.7 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 119.058 -0.496 . . . . 62.219999999999999 111.157 -177.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.407 ' SD ' HD12 ' A' ' 45' ' ' LEU . 75.5 mmm -66.01 -30.64 71.21 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 118.03 0.377 . . . . 63.539999999999999 111.408 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 6.3 mptp? -66.19 -41.49 90.15 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.692 -0.484 . . . . 70.430000000000007 109.692 172.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.05 -38.9 86.65 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.263 0.625 . . . . 74.329999999999998 110.431 -178.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.507 HD13 HD21 ' A' ' 4' ' ' LEU . 93.1 mt -67.06 -44.48 80.03 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.189 0.996 . . . . 74.25 110.204 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.24 83.48 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.497 -0.774 . . . . 63.450000000000003 111.37 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.46 -68.11 0.45 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.271 0.628 . . . . 63.539999999999999 112.285 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -153.27 110.99 3.55 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 122.886 0.475 . . . . 73.319999999999993 110.424 -168.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -163.4 3.11 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.455 0.702 . . . . 73.049999999999997 111.07 168.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 67.85 171.2 0.27 Allowed 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 124.806 1.242 . . . . 73.019999999999996 110.632 174.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -56.04 103.98 0.12 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.004 -0.739 . . . . 72.349999999999994 109.004 166.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.46 ' H ' ' HG3' ' A' ' 2' ' ' LYS . 9.8 tp10 -137.3 145.21 43.18 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.151 0.5 . . . . 73.25 110.764 -172.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 mtmm -97.29 105.14 17.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.984 1.314 . . . . 73.109999999999999 108.371 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.3 mt -123.63 144.15 34.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.561 0.744 . . . . 60.399999999999999 109.43 -175.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.653 HD13 HG11 ' A' ' 22' ' ' VAL . 16.8 tp -112.64 112.51 24.09 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 107.686 -1.228 . . . . 34.149999999999999 107.686 175.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.0 mm -101.77 117.4 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 109.662 -0.496 . . . . 74.319999999999993 109.662 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.694 ' HG3' HG21 ' A' ' 15' ' ' ILE . 12.8 tmtt? -96.13 145.83 25.17 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.346 1.059 . . . . 61.240000000000002 110.124 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.532 ' HB3' HD11 ' A' ' 64' ' ' LEU . 48.4 t -159.74 158.35 31.1 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.473 0.709 . . . . 64.219999999999999 110.187 169.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -90.89 -20.62 22.04 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.855 0.862 . . . . 60.039999999999999 110.111 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.57 117.15 32.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.247 1.019 . . . . 61.130000000000003 109.238 -175.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.491 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -77.46 -11.91 59.9 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.725 0.81 . . . . 53.530000000000001 112.9 -178.118 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 10.6 mm100 -74.59 -32.52 62.4 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.707 -0.479 . . . . 64.209999999999994 109.707 -178.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.02 -37.56 83.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.58 0.752 . . . . 73.230000000000004 110.058 171.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.534 HD23 HD13 ' A' ' 80' ' ' LEU . 7.7 mp -68.16 -32.4 72.62 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 114.837 -1.074 . . . . 71.120000000000005 110.227 178.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 52.6 mtpt -65.85 -54.81 21.78 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.545 0.338 . . . . 64.549999999999997 110.109 176.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 13.8 mm-40 -63.84 -25.98 68.41 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.248 0.968 . . . . 73.010000000000005 111.146 -176.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.541 ' SD ' HD21 ' A' ' 6' ' ' LEU . 38.0 ttm -66.85 -51.8 51.2 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.714 0.806 . . . . 53.310000000000002 109.869 172.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.407 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 97.6 mt -66.04 -25.99 67.3 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.022 0.929 . . . . 65.400000000000006 112.263 -177.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 37.6 mm-40 -64.53 -36.14 83.25 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.945 0.498 . . . . 55.439999999999998 110.533 174.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.9 mt -77.49 -40.63 42.32 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.449 0.699 . . . . 64.010000000000005 110.256 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.521 HD13 HG21 ' A' ' 78' ' ' VAL . 73.8 mt -66.42 -31.12 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.616 1.166 . . . . 74.430000000000007 111.862 -176.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.5 p -62.1 -29.56 70.4 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.762 0.425 . . . . 74.530000000000001 111.545 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -86.48 -29.72 22.55 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.019 0.527 . . . . 73.340000000000003 110.656 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.04 -26.0 61.14 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.059 0.544 . . . . 71.019999999999996 111.12 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.93 63.07 3.46 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.743 0.652 . . . . 61.030000000000001 114.397 173.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -149.33 158.23 44.0 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 121.011 0.434 . . . . 50.509999999999998 111.548 172.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -80.1 138.56 36.97 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.963 -1.017 . . . . 75.319999999999993 111.682 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 71' ' ' ILE . 91.9 t -129.65 144.33 38.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 124.505 1.122 . . . . 64.239999999999995 109.51 177.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.543 ' HB2' HG12 ' A' ' 5' ' ' ILE . 55.2 m-85 -117.95 108.82 15.75 Favored 'General case' 0 C--O 1.221 -0.398 0 C-N-CA 124.171 0.988 . . . . 75.450000000000003 108.85 -175.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.534 HD13 HD23 ' A' ' 64' ' ' LEU . 20.5 tp -106.2 134.42 49.36 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.9 -0.408 . . . . 73.430000000000007 109.9 -176.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.423 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 40.7 tp -124.91 124.73 42.69 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.388 0.675 . . . . 63.32 109.464 174.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.541 ' HB3' HD13 ' A' ' 90' ' ' LEU . 51.7 mt -110.97 137.49 48.53 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.754 1.222 . . . . 61.340000000000003 108.293 177.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.64 126.13 10.9 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 117.861 0.3 . . . . 62.130000000000003 110.571 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -174.67 163.09 3.44 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.384 0.673 . . . . 64.349999999999994 110.163 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -72.03 -29.94 64.69 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.165 0.986 . . . . 71.530000000000001 111.361 175.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -87.49 61.93 6.84 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 122.778 1.275 . . . . 65.349999999999994 108.073 168.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' HB2' ' HD3' ' A' ' 106' ' ' LYS . 0.7 OUTLIER -75.46 -16.58 60.31 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 113.986 -1.461 . . . . 75.120000000000005 111.569 -176.631 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -61.91 -44.36 96.95 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.708 1.203 . . . . 64.010000000000005 111.632 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.42 -49.38 66.96 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.804 0.442 . . . . 74.140000000000001 110.578 175.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 82' ' ' LEU . 98.9 mt -63.03 -23.41 67.44 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.196 -0.911 . . . . 71.209999999999994 111.413 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.54 -39.49 91.83 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.356 1.062 . . . . 53.32 111.064 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.28 -34.66 25.71 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.469 0.308 . . . . 74.530000000000001 110.52 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.433 ' HD2' HD11 ' A' ' 82' ' ' LEU . 54.2 t80 -56.88 -48.36 78.32 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.503 0.721 . . . . 71.349999999999994 110.191 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HB3' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.56 -27.34 68.37 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.158 -0.928 . . . . 74.310000000000002 111.73 -178.159 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -66.94 -41.97 86.05 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.898 0.479 . . . . 74.219999999999999 110.743 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.33 -48.6 79.11 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.695 0.622 . . . . 64.409999999999997 110.628 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.403 ' HB ' HG11 ' A' ' 104' ' ' VAL . 48.3 mm -64.38 -33.92 65.93 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 123.497 0.719 . . . . 72.140000000000001 110.618 -177.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.39 -34.13 72.19 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.206 1.002 . . . . 72.019999999999996 111.066 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.4 t -74.98 -13.18 60.48 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 123.433 0.693 . . . . 64.549999999999997 111.026 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -90.45 -0.76 57.79 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.95 0.9 . . . . 71.129999999999995 111.085 173.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.94 25.99 35.98 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 116.573 -0.285 . . . . 63.140000000000001 113.407 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -106.8 140.37 39.75 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.688 0.395 . . . . 62.210000000000001 110.223 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 79' ' ' PHE . 15.6 tp10 -78.0 102.46 7.4 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.693 -0.854 . . . . 62.409999999999997 108.693 178.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.403 HG11 ' HB ' ' A' ' 97' ' ' ILE . 2.8 p -133.81 133.52 56.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 123.065 0.546 . . . . 75.230000000000004 110.861 -172.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -128.42 158.77 37.38 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.884 0.874 . . . . 74.540000000000006 109.765 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.429 ' HB3' ' HE3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -137.37 131.53 32.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.887 -1.051 . . . . 71.420000000000002 108.358 177.181 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.1 m -135.19 -177.82 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.485 1.114 . . . . 60.409999999999997 110.386 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -130.52 -39.2 1.3 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.789 1.236 . . . . 73.129999999999995 109.831 177.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -78.65 135.29 37.17 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.694 -0.685 . . . . 74.430000000000007 109.725 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.439 ' HB2' HD13 ' A' ' 14' ' ' LEU . 11.6 p-10 -70.63 -36.69 73.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.55 1.14 . . . . 61.109999999999999 110.766 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.87 -40.43 96.52 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.889 -1.051 . . . . 71.340000000000003 110.278 175.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.546 ' O ' HG12 ' A' ' 116' ' ' ILE . 19.0 tp10 -71.11 -34.45 71.11 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.807 -0.633 . . . . 75.030000000000001 110.223 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -58.41 -43.3 88.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 122.654 0.382 . . . . 71.129999999999995 111.78 178.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.583 HD11 ' HE2' ' A' ' 17' ' ' LYS . 16.3 mt -66.92 -40.52 87.65 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.601 0.563 . . . . 62.310000000000002 111.904 -176.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 118' ' ' ARG . 13.0 ptmm? -73.87 -23.19 59.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 122.589 0.356 . . . . 73.239999999999995 110.446 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 112' ' ' GLU . 40.1 mm -74.09 -37.95 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.069 0.548 . . . . 72.409999999999997 110.882 172.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 113' ' ' ALA . 87.1 t -55.69 -37.54 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.376 0.67 . . . . 65.129999999999995 110.298 173.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 95.8 mtt180 -71.91 -28.64 63.62 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.123 -0.944 . . . . 65.329999999999998 111.384 179.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.58 -40.53 73.22 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.625 0.37 . . . . 73.420000000000002 110.704 173.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.423 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 22.4 m-85 -54.91 -32.82 61.48 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.163 0.585 . . . . 71.129999999999995 111.587 174.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 117' ' ' VAL . 21.9 mmt -71.81 -24.82 61.79 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.639 0.775 . . . . 65.140000000000001 111.938 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.18 -49.51 43.02 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.484 0.713 . . . . 62.310000000000002 109.849 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -38.51 88.19 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.14 -0.936 . . . . 70.430000000000007 110.024 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.571 ' HA ' HD12 ' A' ' 127' ' ' LEU . . . -71.03 -28.5 64.43 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.065 0.946 . . . . 65.420000000000002 110.852 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.97 -42.11 99.74 Favored Glycine 0 C--N 1.344 1.024 0 CA-C-N 115.182 -0.917 . . . . 64.310000000000002 112.732 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.4 m -62.02 -31.8 72.23 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.166 0.587 . . . . 75.239999999999995 111.152 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 124' ' ' ALA . 31.9 mt -81.37 -4.5 55.91 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.135 0.974 . . . . 74.230000000000004 111.233 -174.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -76.69 -23.74 53.18 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.178 0.991 . . . . 71.219999999999999 109.641 173.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 67.97 90.73 0.09 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 125.171 1.389 . . . . 73.219999999999999 110.088 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -97.47 -146.58 0.31 Allowed 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 109.117 -0.698 . . . . 73.129999999999995 109.117 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -55.98 -36.24 67.65 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.21 0.604 . . . . 74.400000000000006 109.977 167.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 37.6 t-80 -89.27 126.08 35.36 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 124.327 1.051 . . . . 75.25 108.79 170.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -115.15 -63.47 1.45 Allowed 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 108.721 -0.844 . . . . 61.329999999999998 108.721 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 41.9 t60 . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.616 -0.883 . . . . 71.140000000000001 108.616 174.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.059 -0.719 . . . . 73.329999999999998 109.059 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -148.23 127.94 13.37 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.133 -1.062 . . . . 75.510000000000005 108.133 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.54 HG21 ' HB1' ' A' ' 124' ' ' ALA . 71.6 mt -91.84 122.75 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 109.318 -0.623 . . . . 71.030000000000001 109.318 -175.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.47 HD11 HD22 ' A' ' 45' ' ' LEU . 11.2 mp -115.61 144.19 44.26 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.463 0.705 . . . . 70.439999999999998 109.365 173.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.472 HG12 ' HB2' ' A' ' 79' ' ' PHE . 33.3 mt -122.22 111.43 30.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 N-CA-C 107.187 -1.412 . . . . 64.209999999999994 107.187 163.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.443 HD21 ' SD ' ' A' ' 67' ' ' MET . 63.6 mt -89.68 121.06 31.5 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.423 0.689 . . . . 72.109999999999999 109.41 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.475 HG13 HG21 ' A' ' 18' ' ' ILE . 45.9 mm -109.5 116.59 52.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 CA-C-N 115.527 -0.761 . . . . 62.340000000000003 109.457 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -119.41 101.95 8.32 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.22 -1.03 . . . . 72.030000000000001 108.22 169.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.613 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 6.5 t -130.94 146.02 52.21 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.518 0.727 . . . . 74.310000000000002 109.476 168.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -69.96 -20.98 63.29 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 115.706 -0.679 . . . . 73.510000000000005 110.699 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -91.39 101.86 14.54 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.477 0.711 . . . . 73.239999999999995 110.208 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.68 -29.88 70.89 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.461 0.705 . . . . 75.329999999999998 110.827 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -69.65 -35.33 75.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.167 0.987 . . . . 71.209999999999994 110.466 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.51 -38.63 90.69 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.682 0.393 . . . . 74.150000000000006 110.249 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.62 HD13 ' HD3' ' A' ' 57' ' ' LYS . 56.9 mt -61.21 -37.81 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.207 0.603 . . . . 72.239999999999995 110.523 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.485 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 94.4 mttt -54.99 -34.92 63.8 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.287 0.635 . . . . 74.5 111.462 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 24.5 mtpp -76.91 -44.19 32.65 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.468 -0.787 . . . . 74.439999999999998 110.385 177.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.475 HG21 HG13 ' A' ' 7' ' ' ILE . 81.1 mt -59.33 -37.24 68.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 124.287 1.035 . . . . 72.120000000000005 111.515 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.646 ' HG2' HG11 ' A' ' 29' ' ' VAL . 27.6 mtpp -57.97 -53.1 62.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.337 1.055 . . . . 62.130000000000003 109.096 175.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -67.06 -26.13 66.59 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.469 -0.787 . . . . 51.140000000000001 112.571 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 21.0 mm-40 -63.57 -55.12 26.28 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 121.168 0.508 . . . . 70.329999999999998 110.218 173.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.408 HG21 HD22 ' A' ' 55' ' ' LEU . 33.2 m -75.45 -29.12 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 N-CA-C 112.861 0.689 . . . . 73.519999999999996 112.861 -171.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.42 -20.5 66.19 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 112.451 0.537 . . . . 70.340000000000003 112.451 -176.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -59.36 -41.44 89.25 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.033 0.533 . . . . 32.149999999999999 110.914 171.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -91.62 7.92 39.22 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.303 0.641 . . . . 70.299999999999997 111.509 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.93 27.09 51.54 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-O 119.657 -0.524 . . . . 54.409999999999997 114.368 171.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -70.17 129.16 38.65 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 117.337 0.568 . . . . 63.310000000000002 109.711 172.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -79.72 111.38 15.96 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 107.722 -1.214 . . . . 71.439999999999998 107.722 170.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.646 HG11 ' HG2' ' A' ' 19' ' ' LYS . 39.1 t -90.12 119.26 36.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 108.683 -0.858 . . . . 73.349999999999994 108.683 177.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.41 124.52 50.22 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.807 -1.183 . . . . 73.120000000000005 107.807 168.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.49 ' HA ' ' HG3' ' A' ' 57' ' ' LYS . 6.6 m-20 -91.6 112.14 23.94 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 114.591 -1.186 . . . . 75.129999999999995 109.072 -174.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.6 t -89.11 115.25 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.688 0.795 . . . . 62.229999999999997 109.863 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -96.9 -19.4 18.86 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.701 0.8 . . . . 71.299999999999997 111.658 -175.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -159.75 171.32 19.73 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.744 0.418 . . . . 65.109999999999999 110.386 -172.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 t -61.26 -28.7 69.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.412 1.085 . . . . 75.239999999999995 111.572 173.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.6 -53.56 56.95 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 123.764 0.826 . . . . 53.140000000000001 109.563 170.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.87 -20.67 65.96 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.598 0.759 . . . . 64.540000000000006 111.893 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 67' ' ' MET . 68.4 tp -68.74 -58.04 4.79 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.495 0.718 . . . . 71.239999999999995 110.176 173.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -29.79 70.12 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 123.376 0.423 . . . . 74.409999999999997 111.3 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -55.75 -42.66 75.76 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.33 1.052 . . . . 75.310000000000002 110.827 171.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 41.8 mm-40 -80.82 -24.76 38.26 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.649 -0.705 . . . . 71.129999999999995 112.161 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.456 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 81.1 mmm -67.14 -27.87 67.67 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 117.779 0.263 . . . . 74.109999999999999 110.632 174.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.52 -45.96 84.96 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.185 0.517 . . . . 75.510000000000005 109.724 167.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -64.93 -21.48 66.83 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.252 -0.886 . . . . 74.310000000000002 111.86 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 68.9 mt -89.59 -45.99 8.98 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.894 0.702 . . . . 72.349999999999994 112.894 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.08 -36.92 12.43 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.554 1.316 . . . . 73.340000000000003 114.554 -164.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -57.07 -43.21 81.88 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-O 121.055 0.455 . . . . 55.450000000000003 111.139 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.33 137.26 48.7 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.423 -0.954 . . . . 65.019999999999996 108.423 166.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -106.64 22.39 15.95 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 122.012 0.91 . . . . 74.150000000000006 108.559 -178.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -67.81 153.41 43.78 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.064 1.346 . . . . 61.100000000000001 111.014 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.04 131.01 47.15 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 112.904 0.705 . . . . 74.430000000000007 112.904 -173.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -171.19 146.37 2.36 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 124.757 1.223 . . . . 73.319999999999993 109.322 172.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -91.35 120.38 32.17 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 108.414 -0.958 . . . . 65.010000000000005 108.414 171.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.4 mt -126.29 123.12 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.544 0.737 . . . . 62.310000000000002 109.776 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HB3' HG22 ' A' ' 29' ' ' VAL . 18.2 tp -90.95 114.26 26.7 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.012 -1.107 . . . . 73.450000000000003 108.012 168.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.3 mm -105.13 123.24 59.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.335 -0.987 . . . . 75.219999999999999 108.335 173.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.62 ' HD3' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -109.68 149.74 29.29 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.316 -0.624 . . . . 72.030000000000001 109.316 176.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.564 ' HB3' HD11 ' A' ' 64' ' ' LEU . 41.4 t -170.77 120.39 0.55 Allowed 'General case' 0 C--O 1.24 0.601 0 C-N-CA 124.441 1.096 . . . . 73.239999999999995 108.563 174.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -65.82 -26.2 67.56 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.072 0.949 . . . . 70.549999999999997 110.75 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -83.28 115.12 21.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.17 0.988 . . . . 65.230000000000004 109.013 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -76.07 -22.49 55.56 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.727 0.64 . . . . 72.140000000000001 112.727 -174.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -71.67 -33.37 68.79 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.134 0.271 . . . . 75.109999999999999 110.352 -174.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt -58.72 -37.32 75.88 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.128 0.571 . . . . 75.209999999999994 111.251 175.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 58' ' ' SER . 7.1 mp -69.91 -35.68 74.79 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.517 0.727 . . . . 72.420000000000002 110.538 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HG2' ' CE1' ' A' ' 93' ' ' PHE . 6.8 mtpm? -60.18 -56.39 22.12 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 121.368 0.604 . . . . 73.420000000000002 109.915 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -66.35 -26.42 67.27 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 113.943 -1.481 . . . . 72.329999999999998 111.644 -175.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.499 ' HB2' HD11 ' A' ' 38' ' ' LEU . 33.5 ttm -65.17 -52.3 55.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.59 0.756 . . . . 74.230000000000004 109.44 173.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.528 ' HA ' ' HB ' ' A' ' 71' ' ' ILE . 98.4 mt -63.63 -32.24 73.66 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 124.284 0.99 . . . . 71.5 111.847 -177.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -61.66 -33.37 73.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.024 0.53 . . . . 50.329999999999998 111.238 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.4 mt -85.86 -30.43 22.92 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 123.062 0.545 . . . . 72.530000000000001 111.033 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.528 ' HB ' ' HA ' ' A' ' 68' ' ' LEU . 41.9 mt -67.7 -28.3 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 123.962 0.905 . . . . 71.120000000000005 111.251 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -58.41 -23.07 56.24 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.44 0.696 . . . . 63.119999999999997 112.098 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -71.63 -41.79 68.41 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.004 0.921 . . . . 64.25 110.662 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.4 mt -76.87 -39.01 52.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.901 0.88 . . . . 73.219999999999999 111.406 -177.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.6 83.68 0.1 Allowed Glycine 0 C--N 1.352 1.42 0 O-C-N 123.597 0.561 . . . . 54.219999999999999 113.917 175.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -152.23 170.95 18.74 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.181 0.515 . . . . 72.430000000000007 111.906 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -71.54 111.53 6.92 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.152 -0.931 . . . . 64.420000000000002 110.917 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.443 HG11 HD21 ' A' ' 68' ' ' LEU . 44.2 t -110.23 132.68 57.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 107.905 -1.146 . . . . 44.119999999999997 107.905 169.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.472 ' HB2' HG12 ' A' ' 5' ' ' ILE . 73.6 m-85 -108.59 107.92 18.61 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.397 -0.964 . . . . 61.409999999999997 108.397 -177.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.1 tp -102.74 139.48 38.26 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.605 0.762 . . . . 75.109999999999999 109.344 -174.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.8 tp -134.84 132.75 38.98 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.556 0.742 . . . . 73.549999999999997 109.271 178.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.577 ' HB3' HD22 ' A' ' 90' ' ' LEU . 78.1 mt -121.04 115.9 24.02 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.088 0.955 . . . . 63.350000000000001 109.288 -175.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.613 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -130.62 109.67 10.82 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.305 0.574 . . . . 72.439999999999998 112.047 -173.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.2 t70 179.42 170.2 1.02 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 125.409 1.484 . . . . 74.109999999999999 107.712 171.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -83.63 2.27 38.26 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.395 0.678 . . . . 74.150000000000006 111.598 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -86.67 40.07 0.87 Allowed 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 122.003 0.906 . . . . 64.109999999999999 109.706 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -57.08 -21.73 33.96 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 113.966 -1.47 . . . . 72.310000000000002 113.387 -167.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -61.52 -51.31 69.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.881 0.872 . . . . 72.219999999999999 110.364 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.34 -42.24 79.55 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.493 -0.776 . . . . 74.25 110.234 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 82' ' ' LEU . 85.3 mt -62.68 -32.09 73.1 Favored 'General case' 0 CA--C 1.552 1.032 0 O-C-N 123.974 0.796 . . . . 62.140000000000001 111.519 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -70.35 -48.46 56.31 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.952 0.901 . . . . 65.209999999999994 110.036 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.07 -42.0 94.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.706 -0.679 . . . . 71.329999999999998 110.49 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.476 ' CE1' ' HG2' ' A' ' 65' ' ' LYS . 3.8 t80 -59.86 -50.08 75.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.259 1.024 . . . . 75.329999999999998 110.709 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -27.46 69.19 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 123.044 0.215 . . . . 74.040000000000006 111.464 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.11 -36.44 77.54 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.062 0.545 . . . . 73.109999999999999 111.676 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -44.21 84.82 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 123.236 0.614 . . . . 63.439999999999998 110.708 175.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.45 HG22 ' HB2' ' A' ' 102' ' ' TYR . 38.9 mm -70.39 -38.9 75.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.11 -0.95 . . . . 55.450000000000003 110.696 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -68.73 -32.85 72.92 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.829 1.252 . . . . 75.310000000000002 111.035 176.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.0 t -68.51 -22.29 64.53 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.465 0.706 . . . . 73.040000000000006 111.099 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -96.14 9.26 41.49 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.535 0.734 . . . . 75.150000000000006 111.222 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.94 -4.28 85.61 Favored Glycine 0 C--N 1.35 1.343 0 CA-C-O 119.246 -0.752 . . . . 75.120000000000005 114.839 172.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.45 ' HB2' HG22 ' A' ' 97' ' ' ILE . 98.1 m-85 -69.43 142.34 53.86 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 117.717 0.759 . . . . 70.349999999999994 110.263 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -71.98 118.83 15.34 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 108.45 -0.945 . . . . 73.109999999999999 108.45 175.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.62 144.56 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 123.273 0.629 . . . . 52.43 111.011 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -134.85 153.17 52.15 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.527 1.131 . . . . 73.099999999999994 108.606 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.426 ' HD2' ' HB2' ' A' ' 90' ' ' LEU . 3.9 ttpm? -118.41 140.23 50.17 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 108.986 -0.746 . . . . 64.230000000000004 108.986 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.446 HG21 ' HB2' ' A' ' 113' ' ' ALA . 30.9 m -134.52 161.65 40.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 125.039 1.336 . . . . 74.5 108.917 176.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 47.0 p -122.28 -7.45 8.76 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.034 0.934 . . . . 60.219999999999999 110.666 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -122.28 157.71 31.11 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.676 0.79 . . . . 73.209999999999994 110.386 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -71.87 -58.03 3.81 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.521 1.128 . . . . 72.099999999999994 112.049 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.6 ' HA ' HD12 ' A' ' 114' ' ' LEU . 31.1 mt-10 -70.58 -26.9 63.74 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.399 -0.819 . . . . 73.349999999999994 110.534 -174.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.485 ' O ' HG12 ' A' ' 116' ' ' ILE . 49.3 tt0 -63.56 -43.58 96.63 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.122 -1.399 . . . . 50.539999999999999 110.229 172.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 107' ' ' VAL . . . -58.65 -50.27 74.48 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 123.033 0.533 . . . . 72.540000000000006 110.624 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 111' ' ' GLU . 78.1 mt -51.51 -42.49 61.75 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.547 1.139 . . . . 73.150000000000006 111.519 176.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -65.42 -40.04 92.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.747 1.219 . . . . 73.010000000000005 111.347 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 112' ' ' GLU . 42.9 mm -75.76 -29.89 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 123.063 0.545 . . . . 65.109999999999999 110.746 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 113' ' ' ALA . 75.2 t -59.1 -45.59 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.272 0.629 . . . . 70.219999999999999 109.82 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.48 ' HA ' ' SD ' ' A' ' 121' ' ' MET . 47.0 mtp85 -65.1 -33.85 77.01 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.019 0.825 . . . . 65.140000000000001 110.908 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -63.67 -49.82 71.7 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.248 0.619 . . . . 73.019999999999996 110.402 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -57.15 -34.39 68.38 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.824 0.85 . . . . 73.109999999999999 111.664 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.48 ' SD ' ' HA ' ' A' ' 118' ' ' ARG . 68.4 mtp -64.04 -37.28 86.87 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.87 0.868 . . . . 63.030000000000001 111.231 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -69.79 -45.7 67.37 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 122.988 0.515 . . . . 71.310000000000002 110.363 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 13.8 mptt -64.42 -36.84 85.48 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.241 -0.89 . . . . 72.230000000000004 110.399 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.54 ' HB1' HG21 ' A' ' 3' ' ' ILE . . . -70.67 -38.53 73.77 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.921 0.763 . . . . 53.340000000000003 111.047 177.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -62.13 -42.61 99.73 Favored Glycine 0 C--N 1.347 1.193 0 O-C-N 123.488 0.492 . . . . 51.130000000000003 112.202 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.9 p -71.48 -18.21 62.31 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.466 0.707 . . . . 62.329999999999998 112.241 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 123' ' ' LYS . 97.9 mt -64.83 -40.75 95.68 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 118.25 0.477 . . . . 74.150000000000006 110.917 176.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -59.78 -69.0 0.23 Allowed 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 122.375 1.083 . . . . 74.420000000000002 109.077 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -102.67 68.66 1.04 Allowed 'General case' 0 C--O 1.239 0.523 0 CA-C-N 113.417 -1.72 . . . . 74.319999999999993 108.41 -175.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -76.78 77.21 3.39 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 114.762 -1.108 . . . . 73.099999999999994 111.732 -173.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -170.37 -38.77 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.868 2.067 . . . . 63.200000000000003 108.473 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -114.38 140.37 48.72 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.848 0.859 . . . . 54.240000000000002 111.104 -174.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -123.49 161.87 24.01 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 125.151 1.38 . . . . 75.430000000000007 110.177 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 . . . . . 0 CA--C 1.556 1.193 0 O-C-N 123.472 0.482 . . . . 74.109999999999999 110.753 178.653 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.475 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 12.2 tpt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.973 -0.38 . . . . 55.409999999999997 109.973 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.503 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 19.6 ttmm -105.84 134.69 48.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 122.847 0.459 . . . . 73.519999999999996 109.824 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.457 HD13 ' HB1' ' A' ' 124' ' ' ALA . 70.9 mt -106.49 120.56 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.776 1.23 . . . . 74.129999999999995 109.137 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.542 HD21 HD13 ' A' ' 45' ' ' LEU . 10.4 mp -114.16 138.63 50.19 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.639 0.776 . . . . 72.030000000000001 109.423 175.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.2 mt -115.71 107.84 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.946 -1.131 . . . . 74.310000000000002 107.946 166.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.472 ' HB3' HD13 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -87.88 124.62 33.85 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.517 1.127 . . . . 75.019999999999996 108.996 179.059 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.424 HG13 HG21 ' A' ' 18' ' ' ILE . 49.0 mm -113.59 115.83 50.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 N-CA-C 108.999 -0.741 . . . . 71.209999999999994 108.999 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.553 ' HB2' HD21 ' A' ' 64' ' ' LEU . 28.6 t-20 -112.42 100.46 8.79 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 107.593 -1.262 . . . . 72.530000000000001 107.593 170.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.477 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 7.6 t -130.45 147.65 52.17 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.266 0.626 . . . . 65.0 110.755 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -71.76 -25.71 62.14 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.134 -0.939 . . . . 75.400000000000006 111.039 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -96.53 121.92 38.88 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.695 0.798 . . . . 74.329999999999998 111.496 -171.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.513 ' HA ' HD12 ' A' ' 15' ' ' ILE . 5.9 m-20 -69.88 -35.75 74.91 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.591 0.756 . . . . 62.219999999999999 110.867 173.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -57.24 -42.58 81.71 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.126 0.891 . . . . 75.230000000000004 110.94 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.8 tp -66.47 -40.51 89.38 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.951 0.9 . . . . 73.219999999999999 110.847 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 12' ' ' ASP . 92.7 mt -55.34 -50.11 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.818 0.847 . . . . 64.340000000000003 110.887 178.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -59.62 -30.97 69.07 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.039 0.837 . . . . 71.040000000000006 111.665 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HE2' HD11 ' A' ' 114' ' ' LEU . 56.8 mtpt -81.42 -42.41 20.43 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.746 0.818 . . . . 54.229999999999997 110.817 -178.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.424 HG21 HG13 ' A' ' 7' ' ' ILE . 59.6 mt -62.05 -33.7 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.76 0.824 . . . . 73.310000000000002 109.882 176.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HE2' HG11 ' A' ' 29' ' ' VAL . 8.6 mtpm? -57.75 -53.44 58.17 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 123.204 0.602 . . . . 74.349999999999994 110.391 175.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -69.37 -23.09 63.7 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.209 0.448 . . . . 63.009999999999998 112.209 -176.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 37.7 mm-40 -63.9 -57.92 8.34 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.359 -0.608 . . . . 65.310000000000002 109.359 169.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.716 HG11 HD13 ' A' ' 55' ' ' LEU . 16.3 m -71.27 -28.32 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 115.642 -0.708 . . . . 62.219999999999999 112.261 -170.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.31 -41.62 96.75 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.498 0.719 . . . . 74.109999999999999 110.295 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -78.38 -12.42 60.0 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.209 -0.451 . . . . 70.209999999999994 111.743 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 22.7 mm-40 -90.75 -12.12 37.5 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.01 0.524 . . . . 73.010000000000005 111.11 173.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.9 37.59 4.9 Favored Glycine 0 C--N 1.353 1.509 0 O-C-N 123.118 0.261 . . . . 34.329999999999998 113.649 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.446 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 12.2 m-85 -111.65 136.95 50.17 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.818 0.847 . . . . 73.439999999999998 109.731 175.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -82.77 138.27 34.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.56 -0.904 . . . . 73.109999999999999 108.56 168.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG11 ' HE2' ' A' ' 19' ' ' LYS . 41.2 t -100.17 121.68 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 N-CA-C 109.923 -0.399 . . . . 74.109999999999999 109.923 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.23 113.01 25.2 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.079 0.951 . . . . 74.5 109.27 169.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.483 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 11.3 p-10 -90.98 114.65 27.22 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 108.812 -0.81 . . . . 53.009999999999998 108.812 170.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.3 t -82.03 110.84 17.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 108.379 -0.971 . . . . 71.420000000000002 108.379 175.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.438 ' H ' ' HG3' ' A' ' 37' ' ' GLU . 34.4 m-80 -87.97 -34.32 18.12 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.568 0.747 . . . . 72.140000000000001 110.789 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -151.05 168.8 23.5 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.699 -0.682 . . . . 75.099999999999994 110.619 -163.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.3 t -64.33 -30.58 71.62 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.427 0.691 . . . . 60.009999999999998 111.64 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.548 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 17.8 t70 -61.99 -47.22 85.77 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.519 0.728 . . . . 72.129999999999995 110.439 173.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' HG3' ' H ' ' A' ' 33' ' ' ASN . 12.0 mm-40 -53.62 -50.07 66.49 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.18 0.925 . . . . 61.0 109.991 174.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 67' ' ' MET . 57.5 tp -55.87 -58.09 9.34 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.029 -1.442 . . . . 73.409999999999997 112.397 -176.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.548 ' HE3' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -66.97 -37.66 84.66 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 111.838 0.31 . . . . 74.319999999999993 111.838 -175.213 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -61.07 -47.72 85.03 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.292 0.237 . . . . 62.219999999999999 111.525 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 11.8 pt-20 -70.61 -34.79 72.51 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 119.359 -0.353 . . . . 74.310000000000002 110.476 179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.495 ' SD ' ' HA ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -60.97 -40.53 93.72 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.499 0.72 . . . . 71.030000000000001 112.062 -177.652 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 39' ' ' LYS . 5.5 mptp? -61.79 -38.99 90.12 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.679 -0.691 . . . . 75.030000000000001 110.36 175.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.441 ' HE2' ' HA ' ' A' ' 44' ' ' LYS . 9.6 mmpt? -69.42 -39.01 78.14 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.888 0.475 . . . . 74.209999999999994 111.153 176.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.542 HD13 HD21 ' A' ' 4' ' ' LEU . 71.6 mt -68.66 -22.8 64.37 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.24 0.616 . . . . 75.0 110.436 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.68 -49.06 10.2 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.807 0.843 . . . . 72.040000000000006 111.993 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 22.5 mm-40 -76.72 -49.67 15.49 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.73 0.412 . . . . 55.310000000000002 112.054 -172.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.55 97.4 1.31 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 108.386 -0.968 . . . . 71.439999999999998 108.386 177.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -100.74 -6.33 25.15 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.174 0.435 . . . . 71.430000000000007 112.174 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -71.11 171.03 11.67 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.726 0.41 . . . . 61.240000000000002 110.183 176.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.475 ' HA ' ' O ' ' A' ' 1' ' ' MET . 48.2 t80 -65.79 133.53 51.2 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.022 -0.535 . . . . 73.109999999999999 110.428 -176.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HB3' ' HG3' ' A' ' 2' ' ' LYS . 43.9 tt0 -165.97 147.76 7.03 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.17 0.988 . . . . 63.43 108.48 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 97.1 mttt -122.4 121.13 35.94 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.918 0.887 . . . . 74.209999999999994 109.054 177.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 49.8 mt -130.45 128.11 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 122.842 0.457 . . . . 64.109999999999999 110.528 177.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.716 HD13 HG11 ' A' ' 22' ' ' VAL . 23.3 tp -81.66 110.37 16.95 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 108.362 -0.977 . . . . 61.420000000000002 108.362 166.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.406 HG13 HD23 ' A' ' 4' ' ' LEU . 25.7 mm -92.4 114.37 29.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 108.81 -0.811 . . . . 63.420000000000002 108.81 175.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' HB3' ' HA ' ' A' ' 31' ' ' ASP . 13.6 tmtt? -90.45 128.66 36.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.213 -1.032 . . . . 54.409999999999997 108.213 170.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.3 t -160.57 115.88 2.25 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.197 -1.038 . . . . 73.120000000000005 108.197 173.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -94.82 -17.5 22.05 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.622 0.769 . . . . 72.5 110.454 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -88.97 112.0 22.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.154 0.581 . . . . 74.319999999999993 109.993 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' HA ' HD13 ' A' ' 64' ' ' LEU . 61.3 pttt -58.4 -25.22 61.86 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.378 1.071 . . . . 70.439999999999998 113.569 -174.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -69.13 -38.83 79.04 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 122.636 0.374 . . . . 64.439999999999998 110.203 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.68 -39.46 91.5 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 123.674 0.609 . . . . 74.219999999999999 110.621 175.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 8' ' ' ASN . 6.5 mp -68.77 -41.02 79.4 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.834 0.454 . . . . 71.120000000000005 111.48 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.9 mmmp? -60.8 -57.52 12.3 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.926 0.49 . . . . 73.430000000000007 110.19 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.13 -40.12 73.29 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 124.256 0.972 . . . . 64.349999999999994 111.57 179.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.495 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 35.7 ttm -60.11 -56.85 16.58 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.858 0.863 . . . . 75.439999999999998 110.627 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.565 HD23 HD12 ' A' ' 71' ' ' ILE . 95.8 mt -69.15 -20.78 64.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.918 0.887 . . . . 72.510000000000005 112.034 -175.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -75.49 -33.71 60.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.217 0.607 . . . . 72.439999999999998 110.552 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HB2' ' SD ' ' A' ' 42' ' ' MET . 95.0 mt -78.64 -29.9 46.08 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.887 0.375 . . . . 71.129999999999995 110.511 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.565 HD12 HD23 ' A' ' 68' ' ' LEU . 76.9 mt -74.38 -21.13 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.949 0.9 . . . . 74.030000000000001 110.161 174.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.1 t -57.83 -20.94 39.64 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.787 0.662 . . . . 70.25 112.787 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -86.34 -34.3 20.31 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.107 0.563 . . . . 74.329999999999998 111.297 174.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.5 mt -82.97 -51.23 7.77 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.677 0.791 . . . . 63.399999999999999 110.772 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.38 33.07 57.13 Favored Glycine 0 C--N 1.342 0.896 0 CA-C-N 115.194 -0.912 . . . . 73.340000000000003 114.398 171.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -85.46 168.16 14.82 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 117.294 0.547 . . . . 74.129999999999995 110.627 173.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -75.45 105.11 6.3 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.577 -0.738 . . . . 54.509999999999998 111.282 -176.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG11 HD21 ' A' ' 68' ' ' LEU . 39.8 t -98.25 131.8 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 N-CA-C 108.443 -0.947 . . . . 73.420000000000002 108.443 170.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -112.87 107.34 15.89 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.243 -1.021 . . . . 73.040000000000006 108.243 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 6' ' ' LEU . 30.6 tp -105.11 141.92 35.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.488 0.715 . . . . 73.430000000000007 110.018 -172.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.431 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 33.1 tp -133.13 112.38 11.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.856 0.862 . . . . 72.420000000000002 109.497 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.471 HD23 ' HB3' ' A' ' 8' ' ' ASN . 66.2 mt -94.75 93.15 7.34 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.461 1.104 . . . . 73.430000000000007 108.951 178.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.477 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -103.39 107.8 18.77 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.39 0.676 . . . . 62.219999999999999 111.235 -176.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.527 ' HB3' HD11 ' A' ' 90' ' ' LEU . 25.9 t70 -178.17 158.11 1.16 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.56 1.144 . . . . 61.229999999999997 109.038 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -79.74 54.66 1.86 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.937 0.895 . . . . 65.510000000000005 110.703 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.407 ' O ' ' HE3' ' A' ' 106' ' ' LYS . 18.1 t70 -143.05 117.1 9.44 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.544 0.737 . . . . 72.329999999999998 109.288 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.9 -35.46 16.5 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 122.82 0.448 . . . . 73.010000000000005 110.044 170.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -56.89 -67.71 0.29 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.495 0.554 . . . . 65.239999999999995 112.495 -167.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -79.47 -36.26 39.01 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 119.515 -0.279 . . . . 63.229999999999997 111.448 -174.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 84' ' ' ASP . 60.7 mt -64.67 -43.43 93.6 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 111.831 0.308 . . . . 73.409999999999997 111.831 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 23.6 tt0 -70.9 -20.14 62.53 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.956 0.502 . . . . 73.219999999999999 110.881 -178.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -82.0 -44.88 16.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.712 0.405 . . . . 63.439999999999998 110.433 172.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.421 ' O ' HG12 ' A' ' 97' ' ' ILE . 75.1 t80 -57.43 -48.4 79.24 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.671 1.188 . . . . 74.329999999999998 110.548 -176.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -24.52 67.42 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.909 -1.042 . . . . 72.209999999999994 112.717 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 78.1 mtp180 -66.13 -38.64 88.64 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.833 0.453 . . . . 63.539999999999999 110.601 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.71 -31.19 52.2 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.826 0.85 . . . . 72.019999999999996 110.581 -178.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.473 HG22 ' HB2' ' A' ' 102' ' ' TYR . 24.9 mm -71.44 -45.36 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 109.404 -0.591 . . . . 74.019999999999996 109.404 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.11 -30.3 69.43 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 114.944 -1.026 . . . . 51.340000000000003 110.384 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.7 t -64.05 -34.92 79.13 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.332 0.653 . . . . 71.140000000000001 111.396 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -79.82 -5.75 56.02 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.662 0.785 . . . . 71.409999999999997 111.7 177.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.74 19.65 39.87 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 116.322 -0.399 . . . . 61.43 113.254 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.473 ' HB2' HG22 ' A' ' 97' ' ' ILE . 26.2 m-85 -94.81 151.23 19.41 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 117.117 0.458 . . . . 72.209999999999994 109.928 176.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.82 125.83 29.95 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.209 -1.034 . . . . 42.140000000000001 108.209 174.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.48 142.83 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 122.959 0.504 . . . . 71.409999999999997 110.768 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -134.68 143.32 47.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.24 1.016 . . . . 75.200000000000003 109.693 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.407 ' HE3' ' O ' ' A' ' 86' ' ' ASP . 0.1 OUTLIER -105.36 131.48 52.75 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 107.769 -1.197 . . . . 64.25 107.769 175.173 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.0 m -138.62 167.3 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.377 1.071 . . . . 70.439999999999998 109.741 169.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 24.4 p -121.32 -46.45 2.29 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.075 0.95 . . . . 72.120000000000005 109.739 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -82.87 159.15 22.44 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.212 0.53 . . . . 73.109999999999999 112.13 -172.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.32 -59.05 3.48 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.878 1.271 . . . . 61.130000000000003 110.719 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.37 -29.64 70.38 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.216 0.606 . . . . 73.099999999999994 110.979 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.542 ' O ' HG12 ' A' ' 116' ' ' ILE . 41.9 tt0 -68.68 -37.25 79.44 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 123.967 0.907 . . . . 74.230000000000004 110.189 176.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -67.5 -46.99 71.29 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.061 0.144 . . . . 74.329999999999998 111.165 175.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.429 HD11 ' HE2' ' A' ' 17' ' ' LYS . 94.8 mt -58.27 -38.75 77.59 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.08 0.952 . . . . 74.25 111.894 -177.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -31.62 66.01 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.337 0.255 . . . . 70.219999999999999 111.155 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 112' ' ' GLU . 49.1 mm -75.19 -31.02 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 122.639 0.375 . . . . 63.299999999999997 110.721 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 113' ' ' ALA . 98.9 t -58.77 -38.95 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 122.918 0.487 . . . . 71.340000000000003 109.707 170.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -72.73 -31.36 64.9 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.503 -0.771 . . . . 72.409999999999997 111.002 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -65.16 -38.02 89.23 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.879 0.472 . . . . 74.329999999999998 110.923 173.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 20.1 m-85 -63.16 -25.52 68.39 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.486 0.715 . . . . 70.230000000000004 112.144 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 19.8 mmt -70.94 -29.49 65.53 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.814 0.446 . . . . 62.009999999999998 110.656 176.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -80.48 -35.83 34.24 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.176 0.59 . . . . 71.400000000000006 110.087 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -71.42 -37.68 71.46 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.413 1.085 . . . . 72.450000000000003 110.899 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.457 ' HB1' HD13 ' A' ' 3' ' ' ILE . . . -76.37 -29.95 57.38 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.713 0.805 . . . . 75.329999999999998 110.18 174.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.58 -19.69 74.93 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-N 115.529 -0.759 . . . . 71.340000000000003 112.823 173.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.5 t -71.65 -29.17 64.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.238 0.615 . . . . 44.539999999999999 110.658 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 45.4 mt -78.81 -36.34 42.79 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.84 0.856 . . . . 64.439999999999998 110.527 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -75.0 -54.42 7.21 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.918 0.887 . . . . 70.409999999999997 110.08 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -92.52 41.83 1.08 Allowed 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 114.799 -1.092 . . . . 72.549999999999997 109.092 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.25 125.9 23.85 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.325 -1.307 . . . . 75.120000000000005 111.197 174.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -62.94 121.45 13.56 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.658 -0.701 . . . . 70.329999999999998 109.821 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -54.12 -33.61 58.22 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.067 1.347 . . . . 63.409999999999997 111.611 -174.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -103.82 111.65 24.26 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 107.929 -1.137 . . . . 72.140000000000001 107.929 163.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 72.3 m80 . . . . . 0 C--O 1.25 1.111 0 C-N-CA 122.962 0.505 . . . . 70.239999999999995 109.869 -178.371 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 tpt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.289 -0.634 . . . . 75.239999999999995 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -155.35 154.94 32.81 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 108.388 -0.967 . . . . 73.010000000000005 108.388 -177.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 53' ' ' LYS . 61.0 mt -118.68 107.58 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 108.521 -0.918 . . . . 65.209999999999994 108.521 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.3 mp -111.29 134.29 52.99 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.066 -0.716 . . . . 75.099999999999994 109.066 176.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.488 HG12 ' HB2' ' A' ' 79' ' ' PHE . 39.5 mt -114.79 115.3 49.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 108.15 -1.055 . . . . 62.219999999999999 108.15 171.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.512 ' HB3' HD23 ' A' ' 64' ' ' LEU . 80.3 mt -90.42 126.71 35.98 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.634 0.774 . . . . 63.200000000000003 109.039 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.4 mm -113.91 115.7 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 108.988 -0.745 . . . . 71.230000000000004 108.988 174.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -123.04 102.59 8.08 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.583 -0.895 . . . . 72.200000000000003 108.583 174.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.489 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 14.9 t -130.61 148.14 52.37 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.965 -0.561 . . . . 75.129999999999995 110.602 173.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -64.69 -43.63 92.9 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.102 -0.954 . . . . 63.009999999999998 110.43 175.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -86.15 105.67 16.72 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.439 0.638 . . . . 73.420000000000002 111.124 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.16 -32.82 70.23 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.643 1.177 . . . . 64.030000000000001 112.462 -176.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.45 -31.53 70.52 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.579 1.152 . . . . 73.019999999999996 112.248 -177.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.1 -44.33 89.16 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.584 0.753 . . . . 74.340000000000003 110.794 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.564 HG21 ' HG2' ' A' ' 57' ' ' LYS . 10.0 mt -65.08 -35.56 75.73 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 O-C-N 123.503 0.502 . . . . 60.039999999999999 110.077 -175.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -46.61 -42.2 15.76 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.918 0.887 . . . . 72.230000000000004 111.512 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -79.03 -39.36 34.21 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.615 -1.175 . . . . 55.049999999999997 111.203 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.94 -32.75 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 123.629 0.772 . . . . 72.010000000000005 110.743 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.581 ' HG2' HG11 ' A' ' 29' ' ' VAL . 60.5 mtpt -66.98 -51.56 53.59 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.88 0.872 . . . . 64.209999999999994 109.415 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -57.81 -35.55 71.0 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.446 0.698 . . . . 75.340000000000003 111.222 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.93 -53.47 49.87 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.426 1.09 . . . . 74.239999999999995 111.005 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.658 HG11 HD13 ' A' ' 55' ' ' LEU . 28.9 m -72.01 -26.45 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 N-CA-C 111.96 0.355 . . . . 64.299999999999997 111.96 -175.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.03 -26.3 67.46 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.74 0.816 . . . . 74.239999999999995 111.513 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -60.08 -33.23 71.8 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.487 0.715 . . . . 74.0 110.683 171.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -95.39 10.42 36.4 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.876 0.87 . . . . 70.310000000000002 111.964 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.81 19.62 77.43 Favored Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.241 -0.436 . . . . 62.520000000000003 113.93 173.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -75.36 133.99 41.08 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.734 0.414 . . . . 74.109999999999999 110.068 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -79.18 122.31 26.12 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 108.081 -1.081 . . . . 71.049999999999997 108.081 175.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.581 HG11 ' HG2' ' A' ' 19' ' ' LYS . 13.3 t -101.59 143.64 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 118.167 0.44 . . . . 64.040000000000006 110.105 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -131.8 141.29 49.43 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.61 1.164 . . . . 74.25 108.807 173.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' HA ' ' HB3' ' A' ' 57' ' ' LYS . 20.1 m-20 -108.73 117.03 33.12 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.287 1.035 . . . . 71.109999999999999 108.753 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.39 132.42 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.351 1.06 . . . . 50.539999999999999 108.968 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -111.65 -51.79 2.83 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.88 0.872 . . . . 65.230000000000004 109.612 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -119.4 161.42 20.54 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.73 0.812 . . . . 63.310000000000002 111.964 -167.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.1 p -66.94 -29.49 69.37 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.689 1.596 . . . . 61.219999999999999 113.429 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.42 -40.18 89.4 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 110.256 -0.275 . . . . 62.399999999999999 110.256 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.63 -34.57 78.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.503 0.321 . . . . 63.520000000000003 110.486 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.546 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 52.3 tp -59.42 -54.25 48.78 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 124.189 0.931 . . . . 75.129999999999995 110.736 176.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.97 -33.8 76.65 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 111.457 0.169 . . . . 63.420000000000002 111.457 -177.026 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -64.16 -45.43 88.49 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.228 -0.442 . . . . 64.400000000000006 111.482 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 8.3 pt-20 -70.57 -32.7 70.2 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 110.016 -0.364 . . . . 73.329999999999998 110.016 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.601 ' SD ' ' HG3' ' A' ' 67' ' ' MET . 85.4 mmm -65.96 -29.92 70.39 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.494 0.318 . . . . 75.299999999999997 111.586 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -60.6 -50.32 73.99 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 123.672 0.608 . . . . 73.519999999999996 109.494 168.55 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -63.47 -37.91 89.1 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 115.386 -0.824 . . . . 63.340000000000003 111.909 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.466 HD12 ' SD ' ' A' ' 42' ' ' MET . 80.1 mt -75.78 -30.31 59.07 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.013 0.925 . . . . 71.430000000000007 110.325 -177.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.61 -41.91 71.64 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.606 0.762 . . . . 73.510000000000005 111.06 176.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.65 -42.92 60.72 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.043 -0.98 . . . . 71.040000000000006 111.13 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -80.37 84.41 6.02 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.703 0.763 . . . . 74.129999999999995 110.374 -170.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -73.23 -10.63 59.97 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 114.299 -1.319 . . . . 51.030000000000001 111.728 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -56.55 130.51 45.4 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.491 1.117 . . . . 55.140000000000001 111.312 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -67.41 94.93 0.42 Allowed 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.471 1.107 . . . . 73.430000000000007 108.931 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -141.24 143.41 34.13 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.349 -0.841 . . . . 73.040000000000006 109.651 -172.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -103.87 114.27 28.41 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.837 -0.801 . . . . 71.099999999999994 108.837 -176.631 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.6 mt -122.3 127.37 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.388 0.675 . . . . 72.310000000000002 109.953 -176.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.658 HD13 HG11 ' A' ' 22' ' ' VAL . 14.5 tp -89.78 114.95 26.74 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.176 -1.046 . . . . 73.099999999999994 108.176 171.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.3 mm -93.58 118.09 38.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 108.858 -0.793 . . . . 72.109999999999999 108.858 173.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.564 ' HG2' HG21 ' A' ' 15' ' ' ILE . 14.1 tmtt? -92.36 121.4 33.81 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 107.475 -1.306 . . . . 74.340000000000003 107.475 176.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.6 t -157.74 116.67 3.21 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.559 -0.534 . . . . 75.120000000000005 109.559 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -82.29 -15.5 52.75 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.544 0.738 . . . . 73.340000000000003 110.74 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -98.35 105.96 18.17 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.869 0.868 . . . . 74.209999999999994 109.957 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.482 ' HA ' HD13 ' A' ' 64' ' ' LEU . 25.1 pttm -61.13 -25.4 66.96 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.42 1.088 . . . . 75.230000000000004 113.708 -172.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.59 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 54.5 mt-30 -66.79 -36.08 81.57 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.052 0.541 . . . . 71.109999999999999 110.849 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.15 -40.47 93.96 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 115.169 -0.923 . . . . 65.329999999999998 110.655 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 6' ' ' LEU . 6.0 mp -69.58 -34.54 74.3 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.351 0.66 . . . . 55.439999999999998 111.252 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.59 ' HE3' ' HA ' ' A' ' 62' ' ' GLN . 8.8 mtmp? -63.85 -50.43 68.88 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 120.898 0.38 . . . . 73.25 110.253 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -69.16 -27.85 65.89 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.116 -0.947 . . . . 74.329999999999998 111.535 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.601 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 39.6 ttm -64.77 -49.33 71.17 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.372 -0.831 . . . . 64.120000000000005 109.734 174.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.05 -23.87 65.02 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.107 0.963 . . . . 73.010000000000005 112.08 -177.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.25 -44.77 92.36 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-O 121.72 0.772 . . . . 75.450000000000003 110.641 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.8 mt -85.12 -28.51 25.52 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.551 -1.204 . . . . 75.150000000000006 111.194 -175.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.529 HG21 HG21 ' A' ' 78' ' ' VAL . 71.2 mt -67.94 -31.72 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.474 0.71 . . . . 62.009999999999998 109.65 172.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.5 t -63.02 -23.42 67.44 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.917 0.887 . . . . 65.430000000000007 111.461 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -77.9 -37.94 46.81 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.368 0.667 . . . . 75.239999999999995 110.207 175.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -78.07 -43.5 28.99 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.922 0.889 . . . . 73.519999999999996 111.411 -173.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.85 73.5 1.07 Allowed Glycine 0 C--N 1.341 0.849 0 CA-C-N 115.788 -0.642 . . . . 75.349999999999994 113.706 174.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -146.2 175.7 10.3 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.42 0.688 . . . . 72.430000000000007 110.531 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -81.77 126.1 31.43 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.056 0.942 . . . . 73.109999999999999 111.301 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.529 HG21 HG21 ' A' ' 71' ' ' ILE . 76.3 t -126.03 136.02 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 114.885 -1.052 . . . . 64.200000000000003 109.317 174.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.488 ' HB2' HG12 ' A' ' 5' ' ' ILE . 89.3 m-85 -111.97 110.96 21.55 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 124.426 1.09 . . . . 40.420000000000002 108.423 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.8 tp -103.01 132.52 49.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 123.716 0.806 . . . . 71.140000000000001 109.663 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.478 ' HB2' ' HE2' ' A' ' 120' ' ' PHE . 26.5 tp -122.52 117.23 25.41 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.464 -0.939 . . . . 70.450000000000003 108.464 175.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.59 ' HB3' HD13 ' A' ' 90' ' ' LEU . 77.7 mt -101.23 135.64 42.38 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.956 1.303 . . . . 71.030000000000001 107.896 176.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.489 ' HB3' ' HB ' ' A' ' 9' ' ' THR . . . -147.47 112.69 5.53 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.775 0.43 . . . . 74.549999999999997 110.41 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -171.16 146.19 2.35 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.775 -0.824 . . . . 64.219999999999999 108.775 178.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -71.6 -28.26 63.69 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 124.066 0.854 . . . . 63.310000000000002 110.316 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -78.53 67.39 4.29 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 107.921 -1.14 . . . . 72.239999999999995 107.921 165.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -71.97 -22.81 61.39 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 113.954 -1.475 . . . . 75.340000000000003 112.122 -171.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -57.92 -36.03 71.9 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.496 1.118 . . . . 34.509999999999998 110.998 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.82 -52.51 63.86 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.905 -1.043 . . . . 71.209999999999994 110.843 172.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.59 HD13 ' HB3' ' A' ' 82' ' ' LEU . 82.3 mt -80.84 -13.32 59.05 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 115.36 -0.836 . . . . 53.530000000000001 112.188 -172.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -85.58 -21.37 28.53 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.909 0.884 . . . . 70.310000000000002 109.274 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -87.76 -40.82 13.76 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.164 0.585 . . . . 73.200000000000003 110.785 166.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -54.99 -45.08 74.98 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.562 1.145 . . . . 53.420000000000002 110.21 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 95' ' ' ARG . 15.5 ptpt -58.12 -39.13 77.91 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 124.121 0.888 . . . . 73.329999999999998 111.694 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.484 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 79.1 mtp180 -67.34 -32.85 74.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.336 0.654 . . . . 72.439999999999998 110.709 -173.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -74.77 -39.8 61.56 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.94 0.896 . . . . 73.409999999999997 110.462 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.518 HG22 ' HB2' ' A' ' 102' ' ' TYR . 37.3 mm -75.76 -31.92 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.129 0.572 . . . . 71.109999999999999 110.981 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -71.13 -34.76 71.33 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.526 1.131 . . . . 74.340000000000003 108.808 175.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.8 t -66.76 -33.33 75.38 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.283 0.633 . . . . 74.510000000000005 110.331 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -76.13 -5.31 46.04 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.657 0.783 . . . . 54.420000000000002 111.636 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.99 29.18 32.16 Favored Glycine 0 C--N 1.351 1.395 0 C-N-CA 122.796 0.236 . . . . 34.549999999999997 113.44 172.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.518 ' HB2' HG22 ' A' ' 97' ' ' ILE . 90.3 m-85 -108.81 157.0 18.99 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.291 0.636 . . . . 72.140000000000001 109.771 175.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.82 121.36 25.29 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.425 -0.954 . . . . 74.120000000000005 108.425 172.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.7 p -140.59 135.97 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 123.682 0.793 . . . . 71.450000000000003 110.864 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -131.09 147.03 52.57 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.739 0.816 . . . . 61.340000000000003 109.698 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -112.62 134.08 54.33 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 108.162 -1.051 . . . . 72.099999999999994 108.162 177.601 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 28.7 m -133.78 171.78 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 125.316 1.446 . . . . 74.430000000000007 108.445 173.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.5 p -134.23 -23.81 1.67 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.553 0.741 . . . . 75.099999999999994 111.071 -175.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -113.05 162.56 15.76 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.187 0.518 . . . . 55.219999999999999 110.708 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.66 -57.32 5.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.269 -1.332 . . . . 72.019999999999996 111.204 -176.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.53 -27.77 69.39 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 115.543 -0.753 . . . . 72.040000000000006 111.712 -178.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -69.2 -44.95 71.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.241 1.016 . . . . 72.340000000000003 110.442 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 117' ' ' VAL . . . -60.22 -43.9 95.64 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.447 -0.797 . . . . 51.5 111.124 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.24 -28.56 68.13 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.308 1.043 . . . . 62.25 112.174 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.29 -51.62 59.55 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.07 0.548 . . . . 64.299999999999997 109.577 172.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.431 ' HA ' ' HG2' ' A' ' 119' ' ' GLU . 28.7 mm -69.98 -29.75 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 114.626 -1.17 . . . . 72.219999999999999 111.87 -170.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 113' ' ' ALA . 99.5 t -56.67 -43.08 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.852 0.861 . . . . 64.030000000000001 110.182 173.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.01 -29.02 62.71 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.266 -0.879 . . . . 72.530000000000001 111.349 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.431 ' HG2' ' HA ' ' A' ' 116' ' ' ILE . 9.2 mm-40 -65.44 -46.96 77.82 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 109.769 -0.456 . . . . 72.010000000000005 109.769 176.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.478 ' HE2' ' HB2' ' A' ' 81' ' ' LEU . 26.1 m-85 -55.77 -36.91 67.85 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.616 0.766 . . . . 54.299999999999997 111.983 176.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.442 ' HE3' HG12 ' A' ' 117' ' ' VAL . 66.9 mtt -61.87 -34.05 75.3 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 124.103 0.877 . . . . 74.420000000000002 111.819 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -67.3 -47.84 69.41 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.968 0.907 . . . . 60.210000000000001 110.633 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -28.09 62.89 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 115.841 -0.618 . . . . 64.120000000000005 110.209 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.9 -25.09 58.68 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.633 0.773 . . . . 71.129999999999995 110.007 173.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -67.33 -35.01 86.96 Favored Glycine 0 C--N 1.356 1.644 0 O-C-N 123.672 0.607 . . . . 60.450000000000003 112.045 175.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.3 m -66.32 -20.08 65.99 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.233 0.613 . . . . 73.439999999999998 111.795 173.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.41 -40.36 15.45 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.714 0.806 . . . . 65.019999999999996 109.598 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -54.55 -56.01 23.34 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.359 1.063 . . . . 70.340000000000003 110.549 177.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -165.96 138.31 4.0 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 114.548 -1.205 . . . . 65.329999999999998 109.41 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 13.6 t60 66.27 86.43 0.13 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.551 1.14 . . . . 72.409999999999997 110.791 171.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -82.94 72.51 10.02 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.801 0.841 . . . . 63.219999999999999 109.376 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -70.59 133.15 46.46 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 114.644 -1.162 . . . . 75.209999999999994 109.485 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -66.97 90.25 0.18 Allowed 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.511 1.132 . . . . 63.520000000000003 108.486 176.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 55.2 t60 . . . . . 0 C--O 1.248 0.98 0 CA-C-N 115.541 -0.754 . . . . 62.450000000000003 109.16 -172.913 . . . . . . . . 0 0 . 1 stop_ save_