data_2ko1_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 2ko1 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 121.134 0.492 . . . . 74.430000000000007 111.403 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 51' ' ' ILE . 58.9 tp -79.13 102.69 8.6 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.87 -0.604 . . . . 74.209999999999994 110.578 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.44 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -93.71 128.72 40.05 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.88 -0.6 . . . . 71.120000000000005 112.112 -177.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.33 144.06 15.74 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.294 -0.412 . . . . 53.340000000000003 113.008 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.5 mt -133.0 138.84 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 122.626 0.37 . . . . 73.109999999999999 110.973 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -116.49 119.23 34.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.165 0.507 . . . . 75.239999999999995 111.525 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.568 HD13 HD13 ' A' ' 66' ' ' LEU . 43.6 mt -113.4 120.0 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.826 -0.624 . . . . 74.310000000000002 111.286 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.593 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.7 t -118.46 117.18 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 121.504 0.669 . . . . 75.5 111.193 173.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.53 169.19 23.89 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.578 -0.737 . . . . 62.32 112.153 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -73.2 131.16 41.67 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.096 0.474 . . . . 74.420000000000002 111.725 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.04 85.59 0.05 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.465 0.65 . . . . 71.530000000000001 110.951 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -106.67 159.14 16.43 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 114.38 1.252 . . . . 73.329999999999998 114.38 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.06 73.99 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 112.805 -1.998 . . . . 74.209999999999994 112.212 174.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.56 -22.9 3.86 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 115.473 -0.785 . . . . 73.430000000000007 114.037 173.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.474 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 49.5 mmm -55.24 -51.44 66.61 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.939 0.718 . . . . 74.140000000000001 112.939 -176.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -57.37 -31.44 65.78 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.003 0.371 . . . . 64.310000000000002 112.003 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -76.33 -48.54 19.67 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.06 0.457 . . . . 74.450000000000003 110.92 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.474 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.1 pt20 -66.93 -37.5 84.45 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.063 -0.517 . . . . 74.040000000000006 111.661 -176.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 22' ' ' ILE . 12.3 mm -59.37 -54.24 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 112.495 0.554 . . . . 74.340000000000003 112.495 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.3 m -73.9 -27.42 61.04 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.213 0.53 . . . . 72.400000000000006 110.503 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.81 -39.0 96.18 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 121.219 -0.515 . . . . 74.340000000000003 112.355 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 21' ' ' GLN . 64.5 t -67.09 -40.38 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.873 0.368 . . . . 73.349999999999994 111.198 174.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.443 HG23 HD12 ' A' ' 49' ' ' LEU . 70.8 mt -55.13 -46.31 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.061 -0.518 . . . . 74.340000000000003 112.099 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.3 p -59.39 -20.88 58.29 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.984 0.365 . . . . 61.32 111.984 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -80.27 -5.57 56.46 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.541 0.571 . . . . 74.510000000000005 112.541 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -70.57 166.89 19.65 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.313 0.578 . . . . 71.230000000000004 112.439 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -84.36 11.51 8.32 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.063 -0.517 . . . . 64.230000000000004 111.825 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 t -124.65 155.86 38.49 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.135 0.493 . . . . 74.140000000000001 112.209 -175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -90.58 130.44 36.61 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.137 -0.483 . . . . 72.129999999999995 111.691 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.479 ' HA ' HG21 ' A' ' 51' ' ' ILE . 66.6 mt -68.07 113.1 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.051 -0.522 . . . . 74.409999999999997 111.269 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -88.4 -35.61 17.02 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.33 0.586 . . . . 73.420000000000002 110.387 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 89.7 m -158.15 132.28 8.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.67 -0.695 . . . . 73.299999999999997 110.884 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.722 HD13 ' SG ' ' A' ' 47' ' ' CYS . 10.1 tp -131.64 128.17 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 110.189 -0.3 . . . . 72.319999999999993 110.189 175.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.563 HG21 HG11 ' B' ' 37' ' ' VAL . 62.5 t -130.23 103.4 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.962 0.41 . . . . 64.120000000000005 111.521 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.596 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.8 tt -110.37 130.32 55.58 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.804 -0.443 . . . . 75.140000000000001 109.804 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.441 ' HB3' HG22 ' B' ' 35' ' ' THR . 0.2 OUTLIER -151.79 139.26 19.54 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.092 0.473 . . . . 72.519999999999996 112.034 174.44 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -94.92 145.69 24.74 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.766 -0.652 . . . . 74.540000000000006 110.416 178.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -116.69 -74.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.931 0.872 . . . . 73.310000000000002 112.566 -171.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -136.9 80.91 1.84 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.849 -1.069 . . . . 54.119999999999997 110.236 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.71 -2.78 14.78 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 120.94 -0.648 . . . . 73.109999999999999 113.101 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -124.22 159.54 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 109.662 -0.496 . . . . 75.439999999999998 109.662 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.515 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 31.3 p90 -133.24 140.98 47.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 70.329999999999998 110.524 176.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.538 ' HB ' HG21 ' A' ' 11' ' ' VAL . 6.2 t -118.28 117.9 30.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.075 0.464 . . . . 75.420000000000002 111.408 174.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.722 ' SG ' HD13 ' A' ' 36' ' ' ILE . 45.3 t -105.63 124.21 49.18 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.049 -0.523 . . . . 70.409999999999997 111.075 176.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -105.74 117.0 32.89 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.636 0.255 . . . . 74.430000000000007 110.763 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.443 HD12 HG23 ' A' ' 26' ' ' ILE . 52.7 tp -98.8 128.09 44.92 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.027 0.442 . . . . 73.340000000000003 111.921 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.453 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.3 mmm -120.58 109.66 15.51 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.1 -0.5 . . . . 72.140000000000001 110.847 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.479 HG21 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -140.08 176.57 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 116.002 -0.544 . . . . 64.420000000000002 111.523 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -109.6 143.99 38.54 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.059 0.457 . . . . 73.439999999999998 111.636 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.3 m -143.03 141.61 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 116.275 -0.42 . . . . 72.329999999999998 110.375 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -68.46 -45.88 71.27 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.58 0.705 . . . . 74.310000000000002 111.508 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -128.52 147.97 50.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.493 -0.776 . . . . 64.030000000000001 111.084 -170.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.9 p -61.62 -26.38 67.95 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.012 0.434 . . . . 74.310000000000002 111.184 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.01 -40.46 87.31 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.837 0.827 . . . . 73.109999999999999 109.739 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -59.45 -31.39 69.26 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.15 -0.932 . . . . 73.319999999999993 111.131 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.44 HD12 ' HB1' ' A' ' 6' ' ' ALA . 39.4 tp -76.56 -48.32 19.69 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.431 -0.349 . . . . 74.230000000000004 111.609 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -59.54 -30.63 68.75 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.133 0.492 . . . . 71.329999999999998 110.953 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 90.8 m -63.95 -39.4 94.07 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.789 -0.642 . . . . 73.5 111.501 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.83 -39.58 89.57 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.79 0.328 . . . . 72.219999999999999 111.137 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.611 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 56.8 mtt -54.75 -55.08 33.78 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.388 -0.369 . . . . 74.400000000000006 110.541 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -54.36 -36.38 63.79 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.883 -0.598 . . . . 74.549999999999997 111.627 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -65.54 -40.92 93.46 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.105 -0.498 . . . . 75.439999999999998 111.671 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.568 HD13 HD13 ' A' ' 10' ' ' ILE . 64.7 mt -77.34 -30.77 54.09 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.127 0.489 . . . . 72.209999999999994 111.836 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 63' ' ' MET . 76.3 mtp180 -71.27 -7.62 48.16 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.202 -0.454 . . . . 72.420000000000002 112.074 -178.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -71.51 -9.75 58.69 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.078 0.399 . . . . 73.400000000000006 112.078 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -92.46 118.32 37.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.215 0.531 . . . . 74.540000000000006 111.778 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -60.7 -28.42 68.63 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.709 -0.678 . . . . 74.010000000000005 112.498 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.31 -16.67 79.75 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.127 -0.559 . . . . 74.420000000000002 113.761 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 93.8 t -94.56 139.78 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 117.214 0.507 . . . . 73.329999999999998 111.405 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.16 -14.16 8.41 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.552 0.575 . . . . 75.230000000000004 112.552 177.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.593 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.6 p -131.26 124.0 29.58 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.803 -0.561 . . . . 72.430000000000007 111.644 175.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.2 t -132.06 103.32 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 116.138 -0.483 . . . . 64.310000000000002 109.781 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -124.27 165.68 17.21 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.627 0.602 . . . . 73.239999999999995 112.627 -170.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.501 HH11 ' HG3' ' A' ' 77' ' ' ARG . 15.8 ttt85 -97.49 132.82 42.82 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.876 -0.602 . . . . 75.430000000000007 111.424 174.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 98.4 mt -89.81 103.02 15.72 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.97 0.414 . . . . 75.540000000000006 110.72 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.1 p -81.38 -60.88 2.11 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.862 0.363 . . . . 75.239999999999995 111.504 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -69.86 105.15 2.69 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.326 0.584 . . . . 75.340000000000003 111.18 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.4 mt . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 121.284 0.564 . . . . 73.209999999999994 112.132 -177.227 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 11.5 p-10 . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 120.902 0.382 . . . . 70.209999999999994 111.549 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -155.19 157.89 38.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.954 0.407 . . . . 73.319999999999993 110.836 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 43.8 tp -79.34 102.99 8.96 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.082 0.468 . . . . 72.030000000000001 111.139 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.61 148.16 22.35 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.179 -0.464 . . . . 75.310000000000002 111.526 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.77 141.38 14.94 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.308 -0.473 . . . . 75.510000000000005 113.5 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.466 HD12 HD21 ' B' ' 49' ' ' LEU . 48.3 mt -129.62 149.22 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 122.953 0.501 . . . . 75.319999999999993 110.162 176.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.529 ' HB3' ' HG3' ' B' ' 76' ' ' GLU . 43.7 ttt-85 -130.23 119.88 23.6 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.795 0.331 . . . . 64.129999999999995 110.7 177.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.563 HD11 HD13 ' B' ' 66' ' ' LEU . 43.6 mt -113.19 117.1 54.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 116.473 -0.331 . . . . 71.239999999999995 111.348 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.617 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 43.3 t -115.5 113.83 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.759 0.79 . . . . 72.540000000000006 111.066 174.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.44 171.67 22.48 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 115.277 -0.874 . . . . 72.209999999999994 112.018 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.46 132.13 46.47 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.28 0.562 . . . . 74.5 112.008 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -73.19 87.16 1.43 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.195 0.521 . . . . 63.539999999999999 111.961 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -105.21 156.11 18.42 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.757 1.021 . . . . 73.430000000000007 113.757 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.32 69.01 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 113.937 -1.483 . . . . 74.409999999999997 112.006 173.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.79 -36.51 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 CA-C-N 115.509 -0.769 . . . . 71.019999999999996 112.894 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.507 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 63.3 mmm -54.41 -51.12 65.91 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.736 0.643 . . . . 74.349999999999994 112.736 -179.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 75.5 p -58.49 -31.92 68.31 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.956 0.408 . . . . 53.109999999999999 111.812 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -76.53 -48.78 18.28 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.345 -0.389 . . . . 72.099999999999994 111.079 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.507 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 10.0 pt20 -65.73 -39.96 91.69 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.158 -0.474 . . . . 63.520000000000003 111.362 -177.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.401 HG13 ' CZ ' ' B' ' 45' ' ' PHE . 12.9 mm -60.08 -53.95 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 112.373 0.509 . . . . 74.439999999999998 112.373 -177.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 19.1 m -71.82 -27.12 62.7 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.115 0.483 . . . . 72.430000000000007 110.367 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.29 91.77 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 121.127 -0.559 . . . . 72.420000000000002 112.462 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.477 HG21 ' O ' ' B' ' 21' ' ' GLN . 95.1 t -59.12 -39.46 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.382 0.611 . . . . 73.140000000000001 110.928 174.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.453 HG23 HD13 ' B' ' 49' ' ' LEU . 71.5 mt -64.57 -43.74 96.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 115.945 -0.571 . . . . 73.420000000000002 112.008 177.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 84.5 p -65.72 -22.76 66.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.003 0.372 . . . . 72.209999999999994 112.003 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -97.46 13.19 30.71 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 111.934 0.346 . . . . 72.239999999999995 111.934 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -66.33 179.2 1.02 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.696 0.76 . . . . 75.030000000000001 111.931 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -26.23 34.85 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.395 -0.82 . . . . 72.340000000000003 110.944 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.5 t -96.0 171.26 8.74 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.549 -0.75 . . . . 62.049999999999997 112.661 -173.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -99.95 131.97 45.59 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.308 -0.406 . . . . 64.120000000000005 111.268 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.463 ' HA ' HG22 ' B' ' 51' ' ' ILE . 58.5 mt -81.9 105.7 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.448 -0.342 . . . . 75.400000000000006 111.884 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.06 -23.34 22.57 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.99 -0.443 . . . . 73.25 111.747 178.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 18.6 m -156.09 144.4 19.94 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.645 0.259 . . . . 74.140000000000001 110.891 173.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 38' ' ' LEU . 20.3 tt -160.48 129.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.88 0.372 . . . . 74.140000000000001 111.031 173.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.563 HG11 HG21 ' A' ' 37' ' ' VAL . 59.9 t -128.88 104.0 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 120.863 0.363 . . . . 70.400000000000006 111.509 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.66 ' HB3' HG21 ' A' ' 36' ' ' ILE . 7.5 tt -106.19 125.07 50.54 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.534 -0.543 . . . . 65.519999999999996 109.534 174.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -136.03 120.98 18.71 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.208 0.528 . . . . 70.019999999999996 111.367 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -92.99 110.72 22.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.691 -0.686 . . . . 72.420000000000002 110.482 176.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' B' ' 43' ' ' GLY . 61.4 pttt -126.07 135.54 51.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.916 -0.584 . . . . 73.200000000000003 111.089 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.4 t70 70.11 -31.4 0.22 Allowed 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.213 0.819 . . . . 45.140000000000001 113.213 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' B' ' 41' ' ' LYS . . . 153.47 -8.18 0.46 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 122.169 -0.332 . . . . 74.349999999999994 112.623 -174.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.6 159.58 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 122.423 -0.457 . . . . 71.400000000000006 110.268 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.536 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 31.9 p90 -126.06 143.31 51.16 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.136 -0.352 . . . . 74.129999999999995 111.379 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.5 t -119.58 105.83 11.59 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.091 0.472 . . . . 73.239999999999995 111.251 174.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' B' ' 38' ' ' LEU . 44.1 t -95.09 105.84 17.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.003 0.43 . . . . 73.120000000000005 111.112 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.477 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 2.2 m-20 -91.04 110.01 21.27 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.223 -0.444 . . . . 63.119999999999997 110.9 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.466 HD21 HD12 ' B' ' 8' ' ' ILE . 40.9 tp -98.21 135.41 39.9 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.995 0.426 . . . . 70.530000000000001 111.941 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.56 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 61.5 mmm -129.87 113.06 14.19 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.341 -0.391 . . . . 75.109999999999999 111.254 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.463 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -143.55 160.32 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.147 -0.479 . . . . 60.130000000000003 111.844 -175.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -90.68 132.19 35.94 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.952 0.406 . . . . 72.349999999999994 111.636 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 23.2 m -124.83 155.9 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 116.363 -0.381 . . . . 74.420000000000002 111.272 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -82.78 -17.75 43.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.724 0.297 . . . . 74.230000000000004 111.797 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -166.99 169.04 13.34 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.023 0.439 . . . . 72.099999999999994 111.81 -176.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 56.2 p -69.82 -31.11 68.81 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.288 -0.414 . . . . 75.340000000000003 111.614 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.19 -36.58 84.52 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.622 0.725 . . . . 70.200000000000003 110.25 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -57.93 -44.3 86.8 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.312 -0.858 . . . . 75.120000000000005 110.965 173.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.74 -46.68 81.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.094 -0.503 . . . . 72.310000000000002 111.467 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 82.5 p -63.49 -29.54 70.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.814 0.34 . . . . 72.400000000000006 111.546 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 98.8 m -65.81 -43.42 88.68 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.92 0.39 . . . . 75.299999999999997 111.516 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.1 -36.14 76.77 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.488 -0.324 . . . . 73.129999999999995 111.418 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.408 ' HE1' ' HB2' ' B' ' 77' ' ' ARG . 60.2 mtt -54.1 -51.4 64.29 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.996 0.427 . . . . 75.209999999999994 111.065 176.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.07 -36.51 81.88 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.028 -0.533 . . . . 72.549999999999997 111.297 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -63.11 -37.77 88.53 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.097 -0.501 . . . . 73.340000000000003 111.26 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.563 HD13 HD11 ' B' ' 10' ' ' ILE . 58.7 mt -77.86 -35.05 51.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.025 -0.534 . . . . 73.329999999999998 111.68 179.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -64.88 -6.83 9.17 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.371 0.508 . . . . 74.239999999999995 112.371 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -70.89 -13.87 62.18 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.884 0.373 . . . . 74.409999999999997 111.832 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 44.8 t -92.12 111.92 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 120.921 0.391 . . . . 74.549999999999997 111.205 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -58.37 -27.72 64.48 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.622 0.601 . . . . 74.430000000000007 112.622 -175.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.82 -23.32 75.77 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 121.215 -0.516 . . . . 74.329999999999998 113.513 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 84.0 t -88.44 135.91 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 122.468 -0.431 . . . . 75.340000000000003 111.395 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -116.09 -16.43 11.03 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.422 0.527 . . . . 61.329999999999998 112.422 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.617 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 4.6 p -129.81 119.15 22.91 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.169 0.509 . . . . 72.25 111.724 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.1 t -126.35 103.86 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.296 -0.631 . . . . 73.510000000000005 109.296 169.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.529 ' HG3' ' HB3' ' B' ' 9' ' ' ARG . 8.1 pt-20 -128.78 160.81 31.39 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.364 0.602 . . . . 72.120000000000005 112.542 -169.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.408 ' HB2' ' HE1' ' B' ' 63' ' ' MET . 20.0 ttp85 -90.98 144.55 25.55 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.777 -0.647 . . . . 74.099999999999994 111.95 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' B' ' 9' ' ' ARG . 98.5 mt -101.38 99.37 9.72 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.216 -0.447 . . . . 74.209999999999994 110.8 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 77.3 p -73.11 -57.8 3.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.276 0.56 . . . . 74.140000000000001 110.651 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -79.08 118.05 20.7 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.686 -0.688 . . . . 71.140000000000001 110.453 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 44.6 mt . . . . . 0 N--CA 1.467 0.402 0 CA-C-O 121.945 0.878 . . . . 63.310000000000002 113.066 -174.389 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.8 p90 . . . . . 0 C--O 1.235 0.313 0 CA-C-O 121.19 0.519 . . . . 74.430000000000007 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.3 tp -76.05 103.86 6.31 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.302 0.572 . . . . 73.239999999999995 111.276 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.432 ' HB3' HD21 ' A' ' 59' ' ' LEU . . . -98.12 142.29 29.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.748 -0.66 . . . . 72.040000000000006 111.858 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.52 149.67 18.25 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 121.257 -0.497 . . . . 73.120000000000005 113.054 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.405 HD12 HD23 ' A' ' 49' ' ' LEU . 28.5 mt -136.47 144.93 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 O-C-N 122.665 -0.315 . . . . 73.129999999999995 110.755 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.523 ' HB2' HD22 ' A' ' 78' ' ' LEU . 46.6 ttt180 -121.21 120.21 34.55 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.208 -0.308 . . . . 74.510000000000005 110.699 175.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.654 HD11 HD12 ' A' ' 66' ' ' LEU . 45.1 mt -109.59 117.08 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.373 -0.376 . . . . 74.329999999999998 111.247 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.634 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 70.6 t -119.97 115.43 47.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.58 0.705 . . . . 74.540000000000006 111.0 174.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.51 169.88 25.33 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 115.642 -0.708 . . . . 73.120000000000005 112.614 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -70.8 126.15 28.79 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.374 0.607 . . . . 62.439999999999998 111.412 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.66 102.21 5.27 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.413 -0.358 . . . . 73.349999999999994 111.14 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 18' ' ' MET . 0.0 OUTLIER -160.21 156.64 26.88 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.045 0.387 . . . . 71.540000000000006 112.045 178.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 52.98 26.6 4.85 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 112.916 0.71 . . . . 74.209999999999994 112.916 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.58 34.08 72.79 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.039 -0.6 . . . . 42.100000000000001 112.959 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 35.0 mtp -57.41 -31.84 66.24 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.171 0.434 . . . . 71.019999999999996 112.171 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.8 p -58.46 -40.79 83.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.755 0.312 . . . . 72.510000000000005 111.488 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.35 -48.7 69.37 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.228 0.537 . . . . 64.540000000000006 110.662 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.475 ' O ' HG22 ' A' ' 25' ' ' VAL . 8.9 pt20 -66.61 -37.66 85.35 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.73 -0.668 . . . . 73.530000000000001 111.329 -177.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.496 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 14.3 mm -61.74 -53.74 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 111.826 0.306 . . . . 72.430000000000007 111.826 -177.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.527 HG22 HG22 ' B' ' 23' ' ' THR . 6.2 m -72.94 -27.88 62.1 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.354 -0.539 . . . . 74.439999999999998 110.426 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.54 -50.24 66.79 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.139 -0.553 . . . . 61.43 112.164 172.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.532 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 94.6 t -59.19 -41.77 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.881 0.372 . . . . 74.010000000000005 111.289 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.456 HG21 HD11 ' A' ' 49' ' ' LEU . 67.0 mt -56.01 -43.96 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.229 -0.441 . . . . 61.119999999999997 111.786 176.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 m -53.35 -30.39 39.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.046 0.45 . . . . 73.400000000000006 111.841 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.532 ' HE3' ' HA ' ' A' ' 25' ' ' VAL . 5.5 mtmp? -81.18 -8.73 59.81 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.704 0.631 . . . . 74.549999999999997 112.704 -171.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -61.01 159.16 12.01 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.541 0.686 . . . . 73.430000000000007 112.81 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.92 -8.18 34.59 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.341 -0.845 . . . . 64.329999999999998 111.8 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.4 t -113.21 168.54 9.63 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.312 0.577 . . . . 73.120000000000005 112.116 -174.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -98.8 131.52 44.86 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.061 -0.518 . . . . 73.340000000000003 111.453 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.71 108.64 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 120.839 0.352 . . . . 74.219999999999999 110.918 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -89.29 -33.44 16.94 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.241 0.543 . . . . 65.239999999999995 111.049 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.51 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 26.0 m -158.36 148.05 19.64 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.025 -0.534 . . . . 73.540000000000006 110.131 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.522 HG21 ' HB3' ' B' ' 38' ' ' LEU . 17.8 tt -159.03 140.82 4.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.04 0.448 . . . . 64.239999999999995 112.151 175.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.5 t -136.51 104.88 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 115.858 -0.61 . . . . 75.329999999999998 111.187 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.658 ' HB3' HG21 ' B' ' 36' ' ' ILE . 7.7 tt -113.71 118.58 34.73 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 122.099 -0.376 . . . . 73.319999999999993 110.359 176.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -140.97 138.48 33.79 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.2 0.524 . . . . 71.109999999999999 111.52 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.542 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.25 141.99 32.34 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.605 0.595 . . . . 71.140000000000001 112.605 -175.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -155.4 143.17 19.8 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.602 -0.727 . . . . 73.329999999999998 110.523 178.281 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 60.04 27.6 17.03 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.137 0.791 . . . . 74.340000000000003 113.137 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.47 4.73 90.07 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.958 -0.639 . . . . 73.329999999999998 112.603 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -117.86 172.53 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.453 -0.573 . . . . 72.230000000000004 109.453 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.542 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 36.5 p90 -137.88 154.86 49.43 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.962 -0.461 . . . . 71.420000000000002 110.767 172.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 4.2 t -127.58 118.07 23.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.914 0.388 . . . . 75.319999999999993 110.852 174.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.493 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 52.2 t -109.25 102.99 11.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.261 -0.427 . . . . 65.310000000000002 111.643 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.495 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 14.3 m120 -82.99 106.28 14.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.881 0.472 . . . . 64.030000000000001 111.281 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 26' ' ' ILE . 49.5 tp -98.63 137.63 36.99 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.78 0.324 . . . . 74.150000000000006 111.809 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.51 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 72.4 mmm -130.36 113.19 14.04 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.851 0.358 . . . . 75.0 111.61 176.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.22 167.48 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 116.347 -0.388 . . . . 73.019999999999996 111.92 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -97.17 139.54 32.99 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.875 0.369 . . . . 75.150000000000006 111.712 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.1 m -129.47 141.91 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-O 121.024 0.44 . . . . 62.43 111.794 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.574 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.4 ptpt -73.79 -20.27 60.52 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.396 0.517 . . . . 73.409999999999997 112.396 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.574 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.1 p30 -156.83 162.48 39.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.6 0.36 . . . . 72.409999999999997 110.087 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -74.45 -28.1 60.89 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.829 0.347 . . . . 72.019999999999996 111.756 -173.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.72 -35.53 80.86 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.632 0.73 . . . . 51.509999999999998 110.267 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 49.0 tptt -57.91 -39.25 77.48 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.275 -0.875 . . . . 75.230000000000004 111.137 173.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' ' 6' ' ' ALA . 53.9 tp -66.02 -48.86 69.75 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.857 0.361 . . . . 74.450000000000003 111.953 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.448 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 5.1 t -67.64 -28.74 67.98 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.915 0.388 . . . . 74.310000000000002 111.435 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.8 m -60.39 -40.23 90.16 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.126 0.489 . . . . 75.310000000000002 110.657 172.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.73 -39.29 93.94 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.207 -0.451 . . . . 75.239999999999995 111.292 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.448 ' SD ' ' HA ' ' A' ' 60' ' ' THR . 50.0 mtt -52.67 -50.96 62.23 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.269 -0.423 . . . . 71.120000000000005 110.704 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.48 -48.77 79.68 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.312 -0.404 . . . . 75.549999999999997 110.822 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -51.29 -36.8 44.11 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.933 0.397 . . . . 74.049999999999997 111.687 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.654 HD12 HD11 ' A' ' 10' ' ' ILE . 57.9 mt -81.15 -28.3 35.11 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.163 0.506 . . . . 74.200000000000003 111.51 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 63' ' ' MET . 99.1 mtt180 -75.64 -7.69 54.93 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.315 -0.402 . . . . 74.430000000000007 111.969 177.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -71.4 -9.4 58.1 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.007 0.432 . . . . 74.519999999999996 110.946 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.23 115.76 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.884 0.373 . . . . 74.329999999999998 110.708 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -57.88 -30.49 65.89 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.781 0.66 . . . . 74.030000000000001 112.781 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.35 -18.06 79.49 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 121.002 -0.618 . . . . 70.319999999999993 114.193 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.3 t -89.32 139.73 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 121.899 -0.765 . . . . 73.209999999999994 111.363 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.97 -7.78 8.36 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.793 0.664 . . . . 63.310000000000002 112.793 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.634 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.7 p -138.39 125.23 21.09 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.074 0.464 . . . . 72.310000000000002 111.632 174.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.521 HG13 ' HB2' ' A' ' 66' ' ' LEU . 45.2 t -142.62 102.85 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 N-CA-C 109.512 -0.551 . . . . 75.200000000000003 109.512 171.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -131.8 167.41 19.6 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.073 0.463 . . . . 72.140000000000001 112.042 -173.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -80.21 143.94 33.35 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.067 0.46 . . . . 74.209999999999994 111.512 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 9' ' ' ARG . 93.9 mt -88.97 102.17 14.81 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.975 0.417 . . . . 75.219999999999999 110.801 174.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.1 p -66.87 -48.4 68.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.161 0.505 . . . . 74.340000000000003 111.07 177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -81.86 128.44 34.04 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.991 -0.55 . . . . 72.230000000000004 110.687 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.418 0.628 . . . . 74.450000000000003 109.839 -178.769 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 2.1 m-20 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 120.743 0.306 . . . . 45.119999999999997 111.239 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -106.88 161.02 15.07 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.185 0.517 . . . . 73.150000000000006 110.991 -173.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 tp -80.08 112.24 17.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.916 -0.584 . . . . 72.430000000000007 111.082 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.61 150.68 27.86 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.789 -0.641 . . . . 71.010000000000005 111.496 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.42 144.24 17.54 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 121.387 -0.435 . . . . 64.430000000000007 112.821 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.563 HD11 HD21 ' B' ' 49' ' ' LEU . 54.0 mt -129.44 147.22 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 120.788 0.328 . . . . 71.420000000000002 110.751 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.552 ' HB3' ' HB2' ' B' ' 76' ' ' GLU . 47.3 ttt180 -126.77 118.88 25.58 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.776 0.322 . . . . 75.420000000000002 110.841 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.484 HD11 HD13 ' B' ' 66' ' ' LEU . 40.5 mt -112.23 117.62 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.528 -0.306 . . . . 74.120000000000005 111.247 -177.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.59 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 61.1 t -119.66 117.36 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 121.546 0.689 . . . . 74.329999999999998 111.561 177.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.82 171.69 25.33 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-N 115.616 -0.72 . . . . 64.109999999999999 112.407 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.41 ' CD ' ' HZ1' ' B' ' 15' ' ' LYS . 14.8 pt-20 -68.82 138.94 55.18 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.029 0.442 . . . . 70.340000000000003 111.9 -177.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -73.96 82.05 1.7 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.254 0.549 . . . . 73.549999999999997 111.647 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.41 ' HZ1' ' CD ' ' B' ' 13' ' ' GLU . 29.5 mttp -90.97 160.71 15.5 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.618 0.723 . . . . 73.319999999999993 112.657 172.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.532 HD21 ' N ' ' B' ' 16' ' ' ASN . 0.1 OUTLIER -72.61 48.14 0.19 Allowed 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.914 -1.039 . . . . 72.120000000000005 112.961 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.06 -26.42 0.1 OUTLIER Glycine 0 CA--C 1.528 0.883 0 CA-C-N 116.291 -0.413 . . . . 52.009999999999998 113.069 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.487 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 53.0 mmm -53.29 -50.93 63.87 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.926 0.713 . . . . 72.230000000000004 112.926 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 65.6 p -57.28 -32.44 66.63 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 111.962 0.356 . . . . 64.099999999999994 111.962 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -76.43 -43.27 40.88 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.097 0.475 . . . . 74.010000000000005 111.384 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.6 pt20 -72.37 -35.53 68.51 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.401 -0.363 . . . . 74.430000000000007 111.613 -177.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' B' ' 22' ' ' ILE . 15.5 mm -60.93 -54.57 33.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 112.156 0.428 . . . . 72.329999999999998 112.156 -176.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.527 HG22 HG22 ' A' ' 23' ' ' THR . 2.9 m -73.62 -29.14 62.18 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.209 0.528 . . . . 73.299999999999997 110.579 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.72 -43.23 98.01 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.992 -0.549 . . . . 44.340000000000003 112.624 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.552 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . 80.7 t -69.48 -37.89 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 O-C-N 122.621 -0.341 . . . . 73.420000000000002 111.32 176.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.424 HG13 ' O ' ' B' ' 22' ' ' ILE . 70.6 mt -56.03 -45.54 80.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.881 0.372 . . . . 75.340000000000003 111.807 176.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 85.6 p -58.66 -22.25 56.34 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.192 0.442 . . . . 74.140000000000001 112.192 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' B' ' 25' ' ' VAL . 45.2 mtmt -81.07 0.18 37.13 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.373 0.509 . . . . 73.340000000000003 112.373 -178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -71.09 156.76 39.22 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 120.95 0.405 . . . . 74.329999999999998 111.468 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.27 -20.76 66.2 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.191 0.52 . . . . 71.510000000000005 111.468 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.424 HG23 HD11 ' B' ' 51' ' ' ILE . 7.0 t -92.98 161.34 14.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.993 -0.549 . . . . 64.530000000000001 112.201 -174.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -99.84 129.59 45.95 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.904 -0.589 . . . . 63.409999999999997 110.936 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.486 ' HA ' HG22 ' B' ' 51' ' ' ILE . 73.0 mt -67.03 126.86 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.206 0.527 . . . . 74.010000000000005 111.08 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -103.27 -31.6 10.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.353 0.596 . . . . 75.230000000000004 110.201 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 53.7 m -154.79 132.04 11.07 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.562 -0.745 . . . . 72.120000000000005 110.392 174.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.658 HG21 ' HB3' ' A' ' 38' ' ' LEU . 10.4 tp -139.17 128.02 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 121.218 0.532 . . . . 70.040000000000006 110.628 176.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 57.6 t -128.35 143.8 39.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.422 -0.353 . . . . 71.510000000000005 110.704 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.522 ' HB3' HG21 ' A' ' 36' ' ' ILE . 9.3 tt -144.29 128.19 17.4 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.575 0.226 . . . . 73.439999999999998 110.501 176.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -143.91 145.5 32.32 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.738 0.304 . . . . 75.140000000000001 110.998 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -111.33 121.44 45.25 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.29 0.567 . . . . 62.43 111.657 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -138.4 150.26 46.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.517 -0.765 . . . . 63.039999999999999 109.92 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 59.88 20.01 8.96 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.855 0.36 . . . . 71.329999999999998 111.788 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.04 4.7 90.49 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 121.208 -0.52 . . . . 61.399999999999999 113.13 -175.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.7 mt -119.77 164.6 15.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 N-CA-C 109.447 -0.575 . . . . 73.120000000000005 109.447 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 18.2 p90 -125.33 150.9 46.72 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.735 -0.603 . . . . 73.030000000000001 110.773 175.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.404 ' HB ' HG22 ' B' ' 11' ' ' VAL . 3.6 t -128.32 125.62 39.13 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.046 0.45 . . . . 73.450000000000003 110.794 174.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.634 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.9 t -112.7 126.03 54.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.152 -0.476 . . . . 73.120000000000005 111.598 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -101.81 106.3 17.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.532 0.333 . . . . 74.239999999999995 110.782 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.563 HD21 HD11 ' B' ' 8' ' ' ILE . 56.8 tp -100.55 121.44 41.6 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.969 0.414 . . . . 72.329999999999998 111.977 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.401 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.0 mmm -115.99 109.03 17.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.863 0.363 . . . . 74.439999999999998 111.159 177.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.486 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -143.61 160.97 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 116.229 -0.441 . . . . 74.340000000000003 111.957 -176.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -89.18 139.19 30.73 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.901 0.381 . . . . 73.209999999999994 111.689 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 13.7 m -131.0 141.8 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 121.005 0.431 . . . . 72.319999999999993 111.639 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.512 ' HE2' ' ND2' ' B' ' 55' ' ' ASN . 21.4 ptmt -64.21 -40.48 96.16 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.112 -0.495 . . . . 74.329999999999998 111.973 175.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.512 ' ND2' ' HE2' ' B' ' 54' ' ' LYS . 89.6 m-20 -139.77 162.56 34.83 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.18 0.514 . . . . 63.109999999999999 111.894 -174.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 77.8 p -63.79 -40.53 96.89 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.874 -0.603 . . . . 74.299999999999997 111.221 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -40.94 96.81 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.31 0.576 . . . . 62.229999999999997 111.183 176.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -56.62 -39.79 74.24 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.822 -0.627 . . . . 73.209999999999994 110.668 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.86 -47.66 74.16 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.271 -0.422 . . . . 71.420000000000002 111.216 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' B' ' 63' ' ' MET . 69.1 p -64.59 -27.71 69.13 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.992 0.425 . . . . 55.409999999999997 111.307 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 99.3 m -66.57 -39.75 88.63 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.903 0.382 . . . . 74.230000000000004 111.234 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.23 -36.83 78.61 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.929 0.395 . . . . 74.219999999999999 110.579 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' B' ' 60' ' ' THR . 61.7 mtt -56.11 -46.57 79.07 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.081 -0.508 . . . . 75.310000000000002 110.64 174.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 31.3 t70 -55.74 -50.11 71.27 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.947 -0.57 . . . . 71.209999999999994 111.006 177.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.64 ' HZ2' ' HB3' ' B' ' 65' ' ' LYS . 8.4 mtpm? -57.47 -45.96 84.21 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.208 0.528 . . . . 63.130000000000003 111.876 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.484 HD13 HD11 ' B' ' 10' ' ' ILE . 56.1 mt -72.78 -30.43 64.09 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.27 0.557 . . . . 71.299999999999997 111.55 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' B' ' 67' ' ' ARG . 46.2 ttm180 -71.89 -13.25 61.6 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.036 -0.529 . . . . 73.140000000000001 111.869 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 74.7 mmtt -72.29 -15.45 61.9 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 111.988 0.366 . . . . 74.129999999999995 111.988 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 49.0 t -80.82 117.82 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 120.822 0.344 . . . . 71.109999999999999 111.594 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -56.54 -31.31 64.02 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.447 0.536 . . . . 64.319999999999993 112.447 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . 0.485 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -69.09 -21.4 75.53 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 121.293 -0.48 . . . . 73.219999999999999 113.774 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -95.34 141.63 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 117.214 0.507 . . . . 74.530000000000001 111.267 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.78 -14.39 7.69 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.457 0.539 . . . . 74.540000000000006 112.457 176.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.59 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.0 OUTLIER -130.31 128.56 41.76 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.12 0.486 . . . . 74.25 111.559 175.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' B' ' 63' ' ' MET . 25.9 t -128.25 105.33 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 109.622 -0.511 . . . . 74.540000000000006 109.622 173.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' B' ' 9' ' ' ARG . 43.5 mt-10 -118.32 164.64 14.91 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.395 0.617 . . . . 72.319999999999993 112.654 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -101.87 141.7 34.32 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.79 -0.641 . . . . 74.329999999999998 110.751 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -96.13 106.53 18.72 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.036 0.446 . . . . 64.140000000000001 110.706 176.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 83.6 p -81.93 -56.95 3.64 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.0 0.429 . . . . 73.430000000000007 111.967 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -77.29 100.05 5.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.022 0.439 . . . . 75.530000000000001 111.357 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 121.319 0.58 . . . . 74.299999999999997 112.197 -177.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.5 p90 . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 121.219 0.533 . . . . 74.150000000000006 111.09 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -78.08 103.68 8.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.918 -0.583 . . . . 75.200000000000003 111.215 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.22 158.69 15.32 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.903 -0.59 . . . . 71.519999999999996 111.43 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.91 151.0 20.08 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 121.056 -0.592 . . . . 65.420000000000002 113.469 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 mt -136.91 146.04 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 122.984 0.514 . . . . 72.129999999999995 110.506 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.49 ' HB2' HD23 ' A' ' 78' ' ' LEU . 59.2 ttt180 -122.18 131.42 53.94 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 122.025 -0.422 . . . . 72.5 110.947 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' A' ' 46' ' ' THR . 31.8 mt -120.72 117.51 53.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.242 -0.435 . . . . 70.040000000000006 111.247 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.583 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 73.3 t -118.01 116.93 53.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.686 0.755 . . . . 75.450000000000003 111.122 175.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.01 167.76 25.56 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.373 -0.831 . . . . 71.299999999999997 112.412 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.45 139.79 57.99 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.025 0.441 . . . . 73.439999999999998 111.738 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.41 75.16 3.97 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.346 0.593 . . . . 71.530000000000001 111.778 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -88.42 154.42 20.39 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.096 0.474 . . . . 74.099999999999994 112.174 170.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -46.98 -38.84 11.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.445 -0.798 . . . . 62.539999999999999 112.962 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.77 -12.65 34.28 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.912 -0.661 . . . . 72.430000000000007 114.142 -176.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.528 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 56.0 mmm -69.75 -51.83 30.64 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 117.841 0.82 . . . . 75.549999999999997 112.704 -173.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.4 p -59.78 -33.94 72.36 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.042 0.449 . . . . 74.219999999999999 111.387 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.492 ' HA ' HD12 ' B' ' 33' ' ' ILE . 1.9 m-20 -76.39 -48.63 19.16 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.074 0.464 . . . . 75.310000000000002 110.908 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.528 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.2 pt20 -67.25 -35.64 79.96 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.375 -0.375 . . . . 73.120000000000005 111.738 -176.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 22' ' ' ILE . 9.1 mm -63.56 -54.31 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 112.28 0.474 . . . . 75.030000000000001 112.28 -177.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.3 m -71.01 -27.45 63.7 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.261 0.553 . . . . 75.129999999999995 110.257 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.496 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -62.94 -49.65 70.47 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.168 -0.539 . . . . 72.450000000000003 112.265 172.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.498 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 54.2 t -59.42 -36.35 63.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 O-C-N 122.556 -0.379 . . . . 64.420000000000002 111.372 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.36 -44.89 96.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.286 -0.416 . . . . 75.530000000000001 111.604 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.4 p -63.39 -24.94 68.06 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.08 0.467 . . . . 75.040000000000006 111.022 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 54.4 mtpt -77.68 -4.74 47.65 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.052 -0.522 . . . . 73.409999999999997 111.812 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -65.48 166.51 10.24 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.963 0.887 . . . . 74.109999999999999 113.388 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.84 34.08 0.66 Allowed 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 114.616 -1.174 . . . . 73.230000000000004 110.898 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.9 t -151.88 149.22 28.72 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.343 -0.389 . . . . 73.430000000000007 111.135 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -90.31 127.74 36.25 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.04 0.448 . . . . 73.519999999999996 111.181 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.8 mt -63.03 123.16 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 112.34 0.496 . . . . 74.099999999999994 112.34 -175.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -96.87 -39.29 9.47 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.245 0.545 . . . . 73.450000000000003 110.598 176.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.534 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 24.8 m -149.79 146.1 26.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.999 -0.546 . . . . 74.420000000000002 110.19 172.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.57 HG21 ' HB3' ' B' ' 38' ' ' LEU . 19.3 tt -157.88 131.63 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.085 0.469 . . . . 73.5 111.726 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.616 HG12 HG22 ' B' ' 37' ' ' VAL . 62.1 t -133.64 104.82 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 116.332 -0.394 . . . . 72.519999999999996 111.726 -178.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.548 ' HB3' HG21 ' B' ' 36' ' ' ILE . 9.0 tt -104.72 116.58 32.27 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.771 -0.455 . . . . 74.200000000000003 109.771 174.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -128.73 128.9 44.95 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.901 0.382 . . . . 62.229999999999997 111.321 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -96.77 109.95 22.52 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.029 0.442 . . . . 73.010000000000005 111.247 177.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.622 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -123.93 141.06 52.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.062 -0.517 . . . . 75.230000000000004 110.603 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 64.24 6.81 3.15 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.622 0.601 . . . . 71.549999999999997 112.622 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.74 7.5 50.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 121.174 -0.536 . . . . 71.209999999999994 113.544 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.5 mt -131.89 149.83 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 122.331 -0.511 . . . . 64.299999999999997 110.02 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.53 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 39.1 p90 -114.51 146.22 40.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.027 0.441 . . . . 65.510000000000005 111.634 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 2.1 t -122.99 102.61 8.1 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.874 -0.603 . . . . 74.209999999999994 111.058 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 38' ' ' LEU . 42.2 t -91.32 111.29 22.71 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.025 0.441 . . . . 72.430000000000007 111.303 177.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.528 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.3 m-20 -97.47 111.2 23.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.207 -0.451 . . . . 73.319999999999993 111.14 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.7 tp -98.65 138.09 36.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.921 0.391 . . . . 75.120000000000005 111.783 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.534 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.5 mmm -131.38 114.22 14.71 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.392 -0.367 . . . . 73.120000000000005 111.126 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.6 pp -145.48 162.16 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 122.569 0.347 . . . . 74.200000000000003 111.876 -176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -89.6 139.88 30.1 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.87 0.367 . . . . 73.310000000000002 111.869 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.5 m -135.96 152.38 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.1 -0.5 . . . . 75.400000000000006 110.776 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -84.4 -32.36 24.19 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.919 0.39 . . . . 75.209999999999994 111.77 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.524 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 79.0 m-20 -131.39 155.67 46.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.329 -0.396 . . . . 74.540000000000006 111.374 -176.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.6 p -72.84 -30.62 64.16 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 122.18 -0.325 . . . . 74.450000000000003 111.108 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.11 -32.49 74.08 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.755 0.788 . . . . 74.340000000000003 109.814 175.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 51.5 tptt -61.87 -47.32 85.53 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.917 -1.038 . . . . 75.340000000000003 110.812 172.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.43 -47.34 86.53 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.141 -0.481 . . . . 74.25 111.748 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.5 p -62.1 -27.33 68.84 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.688 0.28 . . . . 75.209999999999994 111.58 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.0 m -61.96 -42.97 99.73 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.053 0.454 . . . . 75.239999999999995 111.219 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.5 -39.48 91.14 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.322 -0.399 . . . . 73.540000000000006 111.189 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.4 mtt -52.98 -51.07 62.79 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.139 0.495 . . . . 75.150000000000006 110.735 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.98 -47.11 81.58 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.742 -0.663 . . . . 72.420000000000002 111.132 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HZ1' ' HB3' ' A' ' 65' ' ' LYS . 8.6 mtpm? -58.16 -34.23 70.08 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.12 -0.491 . . . . 74.319999999999993 111.866 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.3 mt -79.38 -33.47 42.79 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.129 0.49 . . . . 72.340000000000003 111.488 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.37 -6.5 35.86 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.139 -0.482 . . . . 71.439999999999998 112.213 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -71.11 -17.09 62.59 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.68 0.276 . . . . 74.109999999999999 111.298 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -86.61 122.52 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-O 121.189 0.519 . . . . 71.510000000000005 112.204 -172.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -53.1 -39.96 63.77 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.267 0.84 . . . . 73.439999999999998 113.267 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.38 -18.36 79.3 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 121.073 -0.584 . . . . 72.109999999999999 114.495 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.408 HG23 ' HE3' ' A' ' 18' ' ' MET . 61.1 t -89.73 139.08 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 117.667 0.734 . . . . 75.239999999999995 111.799 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -121.64 -12.02 8.56 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.51 0.559 . . . . 64.140000000000001 112.51 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.583 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 2.8 p -134.09 123.14 23.97 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.999 0.428 . . . . 72.040000000000006 111.623 174.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.1 t -134.23 104.82 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 109.625 -0.509 . . . . 75.540000000000006 109.625 172.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -129.33 170.03 14.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.021 0.438 . . . . 72.530000000000001 112.075 -171.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -92.31 133.95 35.37 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.465 -0.334 . . . . 74.120000000000005 111.427 176.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.49 HD23 ' HB2' ' A' ' 9' ' ' ARG . 95.4 mt -83.87 95.34 8.45 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.461 -0.57 . . . . 72.310000000000002 109.461 170.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 75.3 p -84.0 -53.42 5.57 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.989 0.424 . . . . 74.319999999999993 111.586 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.401 ' C ' HD21 ' A' ' 80' ' ' ASN . 0.2 OUTLIER -69.43 97.13 0.95 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.252 0.549 . . . . 72.129999999999995 110.493 178.364 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.1 mt . . . . . 0 CA--C 1.537 0.464 0 CA-C-N 116.062 -0.517 . . . . 72.450000000000003 112.023 -178.719 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 121.179 0.514 . . . . 74.519999999999996 112.217 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -139.04 153.78 48.13 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.922 0.392 . . . . 75.129999999999995 110.5 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 51.2 tp -75.54 105.7 6.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.286 0.565 . . . . 73.340000000000003 110.694 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.43 ' HB3' HD21 ' B' ' 59' ' ' LEU . . . -94.42 152.97 18.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.772 -0.649 . . . . 72.340000000000003 111.889 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.77 128.56 5.36 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.308 -0.472 . . . . 73.219999999999999 113.319 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' B' ' 48' ' ' ASN . 50.4 mt -115.63 147.23 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 122.562 0.345 . . . . 71.340000000000003 110.936 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.427 ' HB2' HD21 ' B' ' 78' ' ' LEU . 37.7 ttt180 -123.55 128.63 50.02 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.737 0.303 . . . . 62.310000000000002 110.994 177.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.852 HD11 HD13 ' B' ' 66' ' ' LEU . 51.6 mt -123.08 117.84 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 116.347 -0.388 . . . . 74.439999999999998 111.393 -178.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.59 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 70.5 t -118.81 117.71 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.643 0.735 . . . . 75.099999999999994 111.21 175.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.15 169.74 26.18 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.398 -0.819 . . . . 71.120000000000005 112.491 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.49 126.83 30.69 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.271 0.557 . . . . 74.25 111.655 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.04 114.22 4.01 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.985 0.422 . . . . 72.340000000000003 110.657 177.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.441 ' HB2' ' CG ' ' B' ' 18' ' ' MET . 22.4 mtpp -123.26 -177.38 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.508 0.671 . . . . 64.420000000000002 112.121 -177.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -46.82 -29.85 2.17 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.723 -1.126 . . . . 73.349999999999994 113.493 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.79 31.44 0.41 Allowed Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.807 -0.711 . . . . 73.439999999999998 113.515 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.471 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 30.3 mmm -73.6 -49.69 24.93 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 122.411 -0.464 . . . . 74.019999999999996 112.199 -177.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 73.4 p -58.99 -32.28 69.54 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.022 0.439 . . . . 71.439999999999998 111.298 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -76.45 -48.89 18.14 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.103 -0.499 . . . . 73.310000000000002 111.163 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.533 ' O ' HG22 ' B' ' 25' ' ' VAL . 8.7 pt20 -64.12 -39.64 94.46 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.617 -0.265 . . . . 71.530000000000001 111.272 -177.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' B' ' 22' ' ' ILE . 12.3 mm -60.69 -53.95 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.936 0.398 . . . . 70.409999999999997 111.881 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.402 ' HA ' HD11 ' B' ' 26' ' ' ILE . 6.3 m -70.18 -27.05 64.21 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.306 0.574 . . . . 73.340000000000003 110.367 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.529 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -61.92 -52.24 51.62 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-N 115.975 -0.557 . . . . 63.409999999999997 112.015 172.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.533 HG22 ' O ' ' B' ' 21' ' ' GLN . 90.8 t -55.85 -40.28 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 121.003 0.43 . . . . 73.219999999999999 110.904 175.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.402 HD11 ' HA ' ' B' ' 23' ' ' THR . 57.9 mt -54.53 -47.2 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 CA-C-N 115.908 -0.587 . . . . 74.540000000000006 111.628 174.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 82.7 p -70.64 -21.47 62.62 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 120.743 0.306 . . . . 72.340000000000003 111.431 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 99.0 mttt -75.32 -6.65 51.0 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.268 0.47 . . . . 72.349999999999994 112.268 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -69.66 170.05 11.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.866 0.841 . . . . 74.030000000000001 112.733 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.39 -29.44 26.21 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.15 -0.932 . . . . 63.210000000000001 111.924 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.9 t -77.74 160.27 28.53 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.117 0.484 . . . . 53.210000000000001 112.109 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -94.32 124.35 38.29 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.976 0.417 . . . . 75.200000000000003 111.855 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 20' ' ' ASN . 67.4 mt -67.12 112.86 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 116.127 -0.488 . . . . 74.519999999999996 111.571 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' B' ' 34' ' ' ARG . 0.1 OUTLIER -89.53 -32.6 17.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.337 0.589 . . . . 75.030000000000001 110.343 177.803 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.525 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 19.0 m -157.44 149.37 22.36 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.994 -0.548 . . . . 71.030000000000001 110.813 175.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.548 HG21 ' HB3' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -149.17 133.74 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 120.743 0.306 . . . . 75.329999999999998 110.309 172.424 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.616 HG22 HG12 ' A' ' 37' ' ' VAL . 62.5 t -133.76 105.75 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 120.776 0.322 . . . . 72.310000000000002 111.716 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.57 ' HB3' HG21 ' A' ' 36' ' ' ILE . 8.3 tt -113.48 133.17 55.36 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 122.334 0.253 . . . . 73.310000000000002 110.691 178.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -141.03 133.44 28.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.185 0.517 . . . . 72.420000000000002 111.302 172.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.566 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -105.09 127.56 52.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.252 0.548 . . . . 73.450000000000003 111.02 177.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.523 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -142.77 140.94 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.836 -0.62 . . . . 75.340000000000003 110.451 179.33 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 56.14 27.03 10.91 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.202 0.525 . . . . 75.120000000000005 111.864 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.68 5.75 81.15 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 116.207 -0.451 . . . . 73.409999999999997 114.172 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 mt -128.62 140.43 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 117.542 0.671 . . . . 75.200000000000003 111.282 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.566 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 38.6 p90 -110.81 146.85 35.69 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.915 0.388 . . . . 73.439999999999998 111.265 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.48 ' HB ' HG21 ' B' ' 11' ' ' VAL . 3.0 t -124.31 107.32 11.03 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.084 -0.507 . . . . 73.299999999999997 110.747 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.494 ' SG ' HD13 ' B' ' 36' ' ' ILE . 42.2 t -101.1 122.25 43.25 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.125 -0.488 . . . . 54.409999999999997 111.3 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' B' ' 8' ' ' ILE . 64.7 m-20 -105.22 117.66 34.58 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.79 0.329 . . . . 74.129999999999995 111.219 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 28.4 tp -98.96 126.93 44.77 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.922 0.391 . . . . 74.209999999999994 111.605 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.515 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 65.7 mmm -118.47 106.93 13.19 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.146 0.498 . . . . 72.409999999999997 111.386 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.478 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.2 pp -138.96 160.75 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 115.977 -0.556 . . . . 70.329999999999998 111.506 -177.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.25 132.35 36.18 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.928 0.394 . . . . 73.030000000000001 111.611 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.1 m -126.78 145.78 33.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 116.118 -0.492 . . . . 71.510000000000005 110.894 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -81.13 -18.35 46.73 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.881 0.372 . . . . 74.219999999999999 111.597 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -158.44 164.94 35.76 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.111 -0.495 . . . . 74.140000000000001 111.064 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 81.4 p -70.52 -30.68 67.51 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.231 0.456 . . . . 75.129999999999995 112.231 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -59.11 -41.26 87.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.0 0.429 . . . . 64.329999999999998 111.496 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -57.27 -51.15 70.51 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.084 0.469 . . . . 72.129999999999995 110.648 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' B' ' 6' ' ' ALA . 50.5 tp -57.23 -47.35 81.56 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.833 -0.621 . . . . 74.109999999999999 112.407 -177.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' THR . . . . . 0.429 ' HA ' ' HG3' ' B' ' 63' ' ' MET . 9.2 t -73.46 -29.44 62.54 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.182 0.438 . . . . 74.129999999999995 112.182 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 97.3 m -63.67 -33.85 76.56 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.087 0.47 . . . . 71.340000000000003 110.508 173.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.55 -37.69 88.44 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.527 -0.306 . . . . 74.219999999999999 110.616 173.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.429 ' HG3' ' HA ' ' B' ' 60' ' ' THR . 50.0 mtt -53.99 -50.7 65.97 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.226 0.536 . . . . 74.319999999999993 109.803 173.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.15 -53.66 50.28 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.459 -0.791 . . . . 74.439999999999998 111.95 176.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -58.09 -36.28 72.62 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.128 0.418 . . . . 75.329999999999998 112.128 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.852 HD13 HD11 ' B' ' 10' ' ' ILE . 63.5 mt -81.57 -25.81 35.5 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.981 0.419 . . . . 74.340000000000003 111.365 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' B' ' 67' ' ' ARG . 37.0 ttm180 -73.68 -14.33 61.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.852 0.358 . . . . 74.319999999999993 111.774 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -72.4 -3.92 27.0 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.1 0.408 . . . . 75.209999999999994 112.1 -177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 88.7 t -85.91 126.58 40.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 121.214 0.53 . . . . 73.530000000000001 111.378 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.22 -31.42 69.03 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.036 0.754 . . . . 73.0 113.036 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.05 -12.92 83.58 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 121.063 -0.589 . . . . 53.210000000000001 114.414 -175.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 59.8 t -92.02 142.7 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 117.694 0.747 . . . . 72.430000000000007 112.225 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -127.68 -4.2 5.91 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.562 0.579 . . . . 64.129999999999995 112.562 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.59 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.2 p -137.78 129.09 27.81 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 122.021 -0.424 . . . . 72.409999999999997 111.474 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 t -141.76 106.5 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 109.568 -0.53 . . . . 72.319999999999993 109.568 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -143.07 160.08 41.06 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.733 0.642 . . . . 70.120000000000005 112.733 -169.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -87.62 120.02 28.51 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.215 -0.448 . . . . 75.239999999999995 111.381 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' B' ' 9' ' ' ARG . 90.3 mt -57.3 -40.69 78.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.209 -0.45 . . . . 74.140000000000001 111.25 176.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 47.7 m 69.84 -71.49 0.12 Allowed 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.635 -0.711 . . . . 73.439999999999998 112.565 173.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -81.11 130.61 35.1 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.77 0.319 . . . . 75.409999999999997 110.556 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 112.29 0.478 . . . . 73.150000000000006 112.29 -174.05 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.4 p90 . . . . . 0 C--O 1.233 0.193 0 CA-C-O 121.116 0.484 . . . . 74.319999999999993 110.379 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.7 tp -78.78 105.89 10.39 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.476 . . . . 73.409999999999997 111.377 -178.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.49 143.68 32.4 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.932 -0.576 . . . . 75.439999999999998 111.506 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.83 144.17 18.13 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 121.158 -0.544 . . . . 71.030000000000001 112.945 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.654 HD11 HD23 ' A' ' 49' ' ' LEU . 46.2 mt -131.83 145.2 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.809 0.444 . . . . 75.219999999999999 110.282 177.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HB2' HD22 ' A' ' 78' ' ' LEU . 73.3 ttt180 -128.83 128.03 43.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.942 0.401 . . . . 75.010000000000005 111.18 175.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 46' ' ' THR . 14.8 mt -117.17 117.13 54.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 115.878 -0.601 . . . . 74.140000000000001 110.926 -178.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.596 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 73.6 t -117.41 108.41 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 121.701 0.763 . . . . 63.43 111.277 175.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.12 158.68 23.69 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.139 -0.937 . . . . 73.319999999999993 111.841 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.56 133.4 43.54 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.367 0.584 . . . . 64.310000000000002 111.631 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.77 106.26 3.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.187 0.518 . . . . 54.530000000000001 111.241 -177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.578 ' O ' ' HG3' ' A' ' 18' ' ' MET . 22.3 ptmt -156.69 141.73 17.19 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.336 -0.393 . . . . 74.200000000000003 112.042 -178.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.633 ' N ' HD21 ' A' ' 16' ' ' ASN . 0.7 OUTLIER 60.66 11.06 2.9 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.764 0.653 . . . . 62.149999999999999 112.764 171.693 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.92 34.43 8.95 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 121.034 -0.603 . . . . 64.129999999999995 113.014 -177.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.578 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 45.1 mtp -59.14 -40.01 84.15 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.565 -0.374 . . . . 73.430000000000007 111.822 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.4 p -55.01 -34.83 63.8 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.871 0.367 . . . . 74.209999999999994 111.665 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.545 ' O ' ' HB2' ' B' ' 27' ' ' SER . 15.6 m120 -76.06 -49.37 17.68 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.314 -0.403 . . . . 73.519999999999996 110.957 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.549 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 10.1 pt20 -64.92 -42.59 94.58 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.768 0.318 . . . . 72.299999999999997 111.27 -178.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.405 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 13.1 mm -58.03 -53.87 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 112.198 0.444 . . . . 74.329999999999998 112.198 -177.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.412 ' O ' ' HB ' ' A' ' 26' ' ' ILE . 7.0 m -70.45 -26.07 63.48 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.221 0.534 . . . . 72.109999999999999 110.299 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.0 -43.21 99.48 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.084 -0.579 . . . . 61.32 112.362 170.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 21' ' ' GLN . 88.8 t -62.9 -35.35 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.945 0.402 . . . . 71.040000000000006 110.85 175.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.705 HD12 HD21 ' A' ' 49' ' ' LEU . 47.5 mm -51.76 -46.17 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 116.057 -0.519 . . . . 75.25 111.752 176.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.4 p -64.59 -22.89 67.09 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.86 0.362 . . . . 71.049999999999997 111.373 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -86.13 20.26 2.38 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 111.877 0.325 . . . . 74.019999999999996 111.877 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.435 ' CG ' HD23 ' A' ' 62' ' ' LEU . 21.3 m-30 -97.24 -4.77 38.28 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.674 0.62 . . . . 75.239999999999995 112.674 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.8 t70 69.42 -2.09 2.0 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 112.166 0.432 . . . . 75.099999999999994 112.166 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.9 t -100.5 155.1 18.03 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 122.038 -0.414 . . . . 74.230000000000004 112.035 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.443 ' O ' HG21 ' A' ' 51' ' ' ILE . 27.0 t-20 -80.5 123.57 28.19 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.941 0.4 . . . . 72.049999999999997 111.757 -177.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.48 ' HA ' HG21 ' A' ' 51' ' ' ILE . 68.6 mt -74.94 106.61 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 116.253 -0.43 . . . . 74.319999999999993 111.456 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.19 -35.39 21.69 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.015 0.436 . . . . 74.010000000000005 110.459 177.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 5.8 m -153.94 146.97 24.53 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.957 -0.565 . . . . 75.230000000000004 110.705 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.57 HG21 ' HB3' ' B' ' 38' ' ' LEU . 16.7 tt -157.12 133.26 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 120.863 0.364 . . . . 71.219999999999999 111.205 172.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.491 HG23 HG13 ' B' ' 37' ' ' VAL . 59.0 t -135.34 105.19 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.907 0.384 . . . . 73.319999999999993 111.543 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.609 ' HB3' HG23 ' B' ' 36' ' ' ILE . 7.4 tt -109.03 119.36 39.33 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.969 -0.382 . . . . 72.310000000000002 109.969 176.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -131.55 133.45 45.06 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.939 0.399 . . . . 74.25 111.019 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.71 117.04 34.01 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.22 0.533 . . . . 75.109999999999999 111.592 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.09 153.65 45.55 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.888 -0.597 . . . . 72.099999999999994 109.68 176.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 64.09 11.43 6.18 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.763 0.316 . . . . 54.240000000000002 111.528 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.53 2.24 76.58 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 121.65 -0.31 . . . . 71.510000000000005 113.216 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.6 mt -125.39 150.49 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 122.541 0.336 . . . . 74.109999999999999 110.738 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 43.4 p90 -115.04 143.62 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.243 0.544 . . . . 73.120000000000005 111.481 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 1.8 t -118.32 100.37 7.45 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.781 -0.645 . . . . 74.519999999999996 111.002 176.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.3 t -88.06 108.39 19.21 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.016 0.436 . . . . 63.450000000000003 111.461 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.456 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.1 m-20 -94.38 110.8 22.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.294 -0.412 . . . . 74.530000000000001 111.185 177.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.705 HD21 HD12 ' A' ' 26' ' ' ILE . 48.3 tp -98.14 134.23 41.48 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.916 0.389 . . . . 73.219999999999999 111.761 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.534 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 70.6 mmm -127.92 108.68 10.89 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.059 0.457 . . . . 75.230000000000004 111.164 176.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.48 HG21 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -141.07 168.0 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.154 -0.475 . . . . 73.329999999999998 111.747 -175.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -96.18 138.26 34.05 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.891 0.377 . . . . 75.340000000000003 111.535 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.4 m -132.26 142.35 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.944 0.402 . . . . 74.150000000000006 111.417 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -61.86 -41.42 97.82 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.203 0.525 . . . . 74.310000000000002 111.876 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -149.49 171.59 16.35 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.324 -0.398 . . . . 73.340000000000003 111.353 -176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.8 p -71.31 -25.59 62.49 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.55 0.574 . . . . 65.040000000000006 112.55 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.11 -40.4 90.68 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.406 0.622 . . . . 74.219999999999999 110.229 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -58.17 -41.17 83.26 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.497 -0.774 . . . . 74.430000000000007 110.791 173.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.32 -48.0 74.6 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.283 -0.417 . . . . 75.329999999999998 111.501 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.6 p -65.09 -27.98 69.14 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.684 0.278 . . . . 70.329999999999998 111.182 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.5 m -63.59 -42.75 98.25 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.966 0.412 . . . . 71.140000000000001 110.735 175.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.435 HD23 ' CG ' ' A' ' 29' ' ' PHE . 12.2 mt -63.98 -50.15 69.71 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.373 -0.376 . . . . 72.510000000000005 111.109 178.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.417 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 75.7 mtm -58.79 -34.69 71.77 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.479 -0.328 . . . . 63.210000000000001 111.359 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -63.75 -48.16 78.1 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.966 0.412 . . . . 75.340000000000003 110.774 174.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -55.85 -33.97 65.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.077 -0.51 . . . . 63.509999999999998 111.571 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.404 ' HB2' HG12 ' A' ' 75' ' ' VAL . 59.1 mt -78.64 -36.92 43.25 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.109 -0.496 . . . . 63.409999999999997 111.91 177.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 63' ' ' MET . 97.7 mtt180 -67.08 -7.45 23.06 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.758 0.651 . . . . 72.439999999999998 112.758 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -75.21 -12.41 60.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.429 0.529 . . . . 75.120000000000005 112.429 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 63.4 t -82.35 115.51 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.037 0.446 . . . . 72.409999999999997 111.555 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -59.06 -31.34 68.78 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.569 0.581 . . . . 73.409999999999997 112.569 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.521 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -74.09 -17.7 79.56 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 120.829 -0.7 . . . . 71.340000000000003 113.628 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -92.18 137.62 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 122.196 -0.591 . . . . 74.019999999999996 111.279 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -122.6 -2.51 8.88 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.757 0.651 . . . . 72.349999999999994 112.757 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.596 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 5.1 p -143.42 123.27 13.45 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.892 0.377 . . . . 75.150000000000006 111.446 173.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 66' ' ' LEU . 26.4 t -139.27 102.78 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 109.438 -0.579 . . . . 73.310000000000002 109.438 171.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -133.79 162.12 32.86 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.517 -0.31 . . . . 72.019999999999996 111.441 -173.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -74.5 143.6 44.51 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.934 0.397 . . . . 74.120000000000005 111.512 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.459 HD22 ' HB2' ' A' ' 9' ' ' ARG . 64.9 mt -89.51 119.34 29.86 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.756 0.312 . . . . 74.420000000000002 111.683 176.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.3 t -92.68 -14.04 28.6 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.441 0.639 . . . . 72.230000000000004 110.529 173.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -110.73 109.99 20.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.044 -0.526 . . . . 64.430000000000007 110.611 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.419 HD23 ' SD ' ' A' ' 50' ' ' MET . 36.7 mt . . . . . 0 CA--C 1.541 0.631 0 CA-C-O 121.122 0.487 . . . . 72.549999999999997 111.793 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.49 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 7.4 m-20 . . . . . 0 C--O 1.238 0.455 0 CA-C-O 120.875 0.369 . . . . 72.310000000000002 110.839 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -130.75 156.15 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.234 0.54 . . . . 74.319999999999993 110.566 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.3 tp -81.62 105.7 12.98 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.78 -0.645 . . . . 74.200000000000003 110.532 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.502 ' HB2' HD22 ' B' ' 59' ' ' LEU . . . -93.18 147.24 23.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.112 -0.494 . . . . 74.109999999999999 111.846 -176.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' B' ' 49' ' ' LEU . . . -125.14 142.86 14.15 Favored Glycine 0 CA--C 1.524 0.62 0 CA-C-N 115.95 -0.568 . . . . 65.109999999999999 113.381 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.565 HD11 HD21 ' B' ' 49' ' ' LEU . 38.7 mt -128.08 140.36 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 122.689 0.396 . . . . 74.340000000000003 110.612 177.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.524 ' HB2' HD23 ' B' ' 78' ' ' LEU . 49.6 ttt180 -114.49 122.89 47.97 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.942 0.401 . . . . 74.519999999999996 111.182 173.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.458 ' HB ' ' HB3' ' B' ' 47' ' ' CYS . 28.2 mt -111.99 117.43 55.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.96 -0.564 . . . . 74.140000000000001 110.812 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.642 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 59.3 t -120.38 110.79 29.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-O 121.519 0.676 . . . . 75.219999999999999 111.023 175.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.58 161.42 23.99 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.384 -0.826 . . . . 74.150000000000006 112.395 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.95 149.58 48.68 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.778 0.659 . . . . 74.019999999999996 112.778 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.87 97.81 0.69 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.842 -0.617 . . . . 74.120000000000005 110.599 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.507 ' HB2' ' HB2' ' B' ' 18' ' ' MET . 58.3 mmtt -100.71 -178.9 3.92 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 122.172 0.987 . . . . 73.129999999999995 111.739 175.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -57.34 -46.48 83.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 113.802 -1.544 . . . . 75.530000000000001 111.625 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.29 25.35 2.18 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 120.756 -0.735 . . . . 73.409999999999997 114.351 -175.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.507 ' HB2' ' HB2' ' B' ' 15' ' ' LYS . 22.4 mmm -67.88 -50.47 56.21 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 117.502 0.651 . . . . 74.420000000000002 111.603 177.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 77.1 p -56.58 -32.26 65.04 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.068 0.461 . . . . 75.549999999999997 111.349 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -75.7 -48.26 22.7 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.06 -0.518 . . . . 74.349999999999994 110.938 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.547 ' O ' HG21 ' B' ' 25' ' ' VAL . 10.4 pt20 -67.73 -38.77 84.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.257 -0.429 . . . . 72.430000000000007 111.467 -178.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.541 ' O ' HG12 ' B' ' 26' ' ' ILE . 14.3 mm -59.87 -54.35 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 112.236 0.458 . . . . 74.340000000000003 112.236 -176.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.5 m -70.63 -26.52 63.51 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.235 0.54 . . . . 71.25 110.318 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.4 99.73 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.961 -0.563 . . . . 73.109999999999999 111.96 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.547 HG21 ' O ' ' B' ' 21' ' ' GLN . 84.2 t -64.98 -41.05 91.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 120.956 0.408 . . . . 74.409999999999997 110.497 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.541 HG12 ' O ' ' B' ' 22' ' ' ILE . 50.4 mm -56.63 -45.69 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 121.059 0.457 . . . . 75.409999999999997 111.659 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' SER . . . . . 0.545 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 68.3 p -61.99 -41.27 97.86 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.385 -0.371 . . . . 63.100000000000001 111.783 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -87.75 15.15 7.31 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.191 0.441 . . . . 73.200000000000003 112.191 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . 0.413 ' HD1' ' HA ' ' B' ' 29' ' ' PHE . 0.4 OUTLIER -64.16 166.48 7.78 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.143 0.973 . . . . 75.209999999999994 113.09 177.758 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.404 ' OD2' ' NZ ' ' B' ' 58' ' ' LYS . 0.9 OUTLIER -86.79 35.26 0.67 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.39 -1.277 . . . . 71.239999999999995 111.604 177.825 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 10.2 t -155.89 167.2 31.17 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.022 -0.535 . . . . 75.200000000000003 110.848 173.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -93.81 126.78 39.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.965 0.412 . . . . 64.099999999999994 111.551 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.483 ' HA ' HG22 ' B' ' 51' ' ' ILE . 70.2 mt -66.97 127.97 29.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 116.238 -0.437 . . . . 71.400000000000006 111.235 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 34' ' ' ARG . 17.3 mmm180 -104.61 -38.01 6.9 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.542 0.687 . . . . 74.230000000000004 109.724 174.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.531 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 87.0 m -153.23 131.64 12.1 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.435 -0.802 . . . . 70.310000000000002 110.124 174.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.609 HG23 ' HB3' ' A' ' 38' ' ' LEU . 9.6 tp -134.96 132.42 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.026 0.441 . . . . 73.150000000000006 110.56 176.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 60.4 t -127.0 147.3 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.387 -0.369 . . . . 72.450000000000003 110.515 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.57 ' HB3' HG21 ' A' ' 36' ' ' ILE . 8.6 tt -144.7 114.58 7.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.506 -0.553 . . . . 75.230000000000004 109.506 172.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -119.33 107.32 13.24 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.575 0.213 . . . . 75.019999999999996 111.575 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -88.47 107.98 19.15 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.132 0.491 . . . . 34.109999999999999 110.207 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -128.98 152.2 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.004 -0.544 . . . . 74.049999999999997 110.457 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 62.61 -72.97 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.407 0.623 . . . . 74.519999999999996 111.26 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.66 19.18 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 CA-C-N 115.804 -0.634 . . . . 74.239999999999995 111.724 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 mt -141.59 157.59 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 123.087 0.555 . . . . 74.349999999999994 109.72 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.516 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.1 p90 -119.65 136.22 54.49 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.929 0.395 . . . . 74.040000000000006 111.743 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.0 t -109.51 100.66 9.7 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.114 0.483 . . . . 74.430000000000007 110.744 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 42.5 t -92.27 116.88 29.35 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.261 -0.427 . . . . 61.509999999999998 111.22 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -104.51 112.08 25.0 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.667 0.27 . . . . 73.540000000000006 111.053 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.565 HD21 HD11 ' B' ' 8' ' ' ILE . 49.9 tp -98.41 131.38 44.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.874 0.369 . . . . 74.319999999999993 111.737 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.531 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 64.2 mmm -126.92 111.81 14.56 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.127 -0.488 . . . . 53.329999999999998 111.169 177.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.483 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.5 pp -143.96 159.36 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 116.218 -0.446 . . . . 63.530000000000001 111.612 -177.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -87.03 142.32 28.02 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.421 0.629 . . . . 72.420000000000002 112.363 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 21.4 m -141.1 160.6 22.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 115.58 -0.736 . . . . 74.219999999999999 110.592 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.507 ' HD2' ' H ' ' B' ' 54' ' ' LYS . 0.0 OUTLIER -99.04 -3.46 34.73 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.892 0.377 . . . . 74.019999999999996 111.495 177.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.606 ' N ' HD21 ' B' ' 55' ' ' ASN . 0.0 OUTLIER -172.49 164.65 5.63 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.657 0.383 . . . . 75.200000000000003 111.158 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 76.8 p -73.05 -26.76 61.4 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.255 0.465 . . . . 71.109999999999999 112.255 -177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.3 -37.14 86.44 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.584 0.706 . . . . 64.420000000000002 110.288 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.404 ' NZ ' ' OD2' ' B' ' 30' ' ' ASP . 50.4 tptt -57.7 -42.68 84.21 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.442 -0.799 . . . . 74.099999999999994 110.649 172.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' B' ' 6' ' ' ALA . 54.7 tp -66.98 -44.12 81.25 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.712 -0.677 . . . . 74.439999999999998 111.781 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 67.9 p -62.24 -28.05 69.42 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 122.291 -0.256 . . . . 74.120000000000005 111.517 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.476 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 81.9 m -60.09 -47.62 85.11 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.138 0.494 . . . . 75.25 110.564 177.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.12 -46.18 85.33 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.059 -0.518 . . . . 75.200000000000003 111.779 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.4 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 68.1 mtm -60.24 -33.77 72.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 111.619 0.229 . . . . 72.340000000000003 111.619 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 16.0 t70 -66.29 -45.42 80.49 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.892 0.377 . . . . 72.129999999999995 110.344 174.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' B' ' 61' ' ' THR . 57.3 mtpt -55.33 -35.73 65.49 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.975 -0.557 . . . . 75.209999999999994 111.324 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 66.2 mt -76.05 -41.28 51.21 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.951 -0.568 . . . . 74.510000000000005 111.867 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' B' ' 63' ' ' MET . 96.9 mtt180 -63.62 -8.09 9.03 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.386 0.513 . . . . 74.230000000000004 112.386 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.546 ' HE3' ' HA ' ' B' ' 68' ' ' LYS . 0.0 OUTLIER -73.02 -13.5 61.23 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 112.164 0.431 . . . . 73.150000000000006 112.164 176.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.502 HG12 ' SD ' ' B' ' 18' ' ' MET . 62.5 t -89.89 121.78 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 O-C-N 122.086 -0.384 . . . . 70.319999999999993 111.695 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -57.66 -34.76 69.71 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.136 -0.484 . . . . 74.230000000000004 112.278 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.19 -25.81 69.97 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 114.085 0.394 . . . . 52.130000000000003 114.085 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . 0.438 HG22 ' HE3' ' B' ' 18' ' ' MET . 59.3 t -89.84 141.17 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 117.009 0.405 . . . . 71.140000000000001 111.49 -178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.9 -22.05 7.49 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.288 0.477 . . . . 75.049999999999997 112.288 175.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.642 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.8 p -123.08 118.43 27.7 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.245 0.545 . . . . 72.109999999999999 111.782 176.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.8 t -133.35 104.35 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.149 -0.686 . . . . 75.450000000000003 109.149 169.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -137.45 162.52 33.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.238 0.542 . . . . 75.030000000000001 112.053 -173.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.486 ' HG3' HD23 ' B' ' 59' ' ' LEU . 14.1 ttp180 -86.07 133.03 33.92 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.83 -0.623 . . . . 74.549999999999997 112.147 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' B' ' 9' ' ' ARG . 98.1 mt -85.27 111.38 19.81 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.127 0.489 . . . . 73.329999999999998 111.033 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 77.8 p -80.34 -66.61 0.86 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.118 0.485 . . . . 64.120000000000005 111.096 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -73.32 103.65 4.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.101 -0.5 . . . . 71.150000000000006 111.311 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 48.1 mt . . . . . 0 CA--C 1.535 0.394 0 CA-C-O 121.196 0.522 . . . . 62.229999999999997 112.233 -177.541 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 121.22 0.533 . . . . 73.150000000000006 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.8 tp -75.36 103.61 5.58 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.197 0.523 . . . . 72.230000000000004 111.424 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.58 158.61 15.8 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.828 -0.624 . . . . 61.219999999999999 111.631 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.2 144.03 15.06 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 121.3 -0.476 . . . . 64.439999999999998 112.661 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.3 mt -133.19 140.14 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 122.601 -0.352 . . . . 74.109999999999999 110.763 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' HB2' HD22 ' A' ' 78' ' ' LEU . 47.2 ttp180 -118.04 126.45 52.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.9 0.381 . . . . 73.150000000000006 110.841 175.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.543 HD12 HD13 ' A' ' 66' ' ' LEU . 24.7 mt -113.31 116.0 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 116.077 -0.51 . . . . 74.530000000000001 110.632 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.599 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 71.5 t -115.99 113.54 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.6 0.714 . . . . 75.010000000000005 111.705 178.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.08 171.88 22.9 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.331 -0.85 . . . . 52.140000000000001 112.388 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -67.45 124.71 23.94 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.238 0.542 . . . . 71.519999999999996 112.169 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -64.54 104.74 0.84 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.996 -0.547 . . . . 73.120000000000005 111.52 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -130.51 175.85 8.64 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.636 0.731 . . . . 74.450000000000003 112.808 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -77.4 48.5 0.65 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.669 -1.151 . . . . 72.019999999999996 112.629 -174.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.33 -28.84 0.24 Allowed Glycine 0 CA--C 1.526 0.736 0 C-N-CA 121.101 -0.571 . . . . 72.519999999999996 113.296 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.437 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 70.1 mmm -53.09 -50.46 64.34 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.667 0.617 . . . . 74.430000000000007 112.667 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -60.02 -29.74 68.7 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.055 0.455 . . . . 70.0 111.614 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' B' ' 27' ' ' SER . 13.3 m120 -76.32 -48.68 19.18 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.147 0.498 . . . . 73.510000000000005 110.985 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.7 pt20 -66.19 -37.62 86.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.241 -0.436 . . . . 75.329999999999998 111.629 -176.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 22' ' ' ILE . 9.1 mm -61.06 -54.3 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 112.598 0.592 . . . . 74.340000000000003 112.598 -176.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 m -73.36 -26.91 61.21 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.436 0.636 . . . . 63.229999999999997 110.078 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.18 -41.24 92.66 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 115.669 -0.696 . . . . 74.349999999999994 112.38 171.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 21' ' ' GLN . 69.8 t -67.23 -39.99 84.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.045 0.45 . . . . 75.230000000000004 110.853 174.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.436 HG23 HD11 ' A' ' 49' ' ' LEU . 68.2 mt -57.08 -42.04 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 116.146 -0.479 . . . . 75.319999999999993 112.096 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 63.3 p -62.23 -21.97 65.58 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.775 0.321 . . . . 73.219999999999999 111.742 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -79.71 -0.5 34.37 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 111.936 0.347 . . . . 74.239999999999995 111.936 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -75.71 165.66 24.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.788 0.804 . . . . 73.329999999999998 112.977 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.32 -28.94 38.09 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.718 -1.128 . . . . 75.120000000000005 111.203 -177.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 t -86.24 170.09 12.43 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.786 -0.643 . . . . 74.409999999999997 112.463 -174.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.403 ' O ' HG23 ' A' ' 51' ' ' ILE . 26.5 t-20 -99.9 136.83 39.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.059 0.457 . . . . 70.439999999999998 111.267 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.537 HG13 ' ND2' ' B' ' 20' ' ' ASN . 62.4 mt -79.1 103.19 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 121.058 0.456 . . . . 73.140000000000001 111.662 -177.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -75.5 -35.54 60.76 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.072 0.463 . . . . 64.420000000000002 110.447 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.638 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 56.1 m -156.92 132.7 9.47 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.065 -0.516 . . . . 72.140000000000001 111.739 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.741 HD12 ' SG ' ' A' ' 47' ' ' CYS . 9.1 tp -135.66 126.18 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 120.623 0.249 . . . . 74.530000000000001 110.333 172.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.411 HG23 HG13 ' B' ' 37' ' ' VAL . 58.6 t -135.1 104.24 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.83 0.348 . . . . 74.140000000000001 111.758 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.616 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.8 tt -107.49 124.25 49.61 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 110.067 -0.346 . . . . 74.430000000000007 110.067 177.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -131.14 124.98 31.87 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.134 0.492 . . . . 70.349999999999994 111.436 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -98.4 116.39 30.53 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.056 -0.52 . . . . 60.310000000000002 110.729 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.58 146.79 34.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.957 -0.565 . . . . 75.530000000000001 110.7 -177.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.0 t70 66.09 6.38 4.1 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.157 0.428 . . . . 74.450000000000003 112.157 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.06 -1.4 47.62 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.132 -0.556 . . . . 74.329999999999998 113.233 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mt -123.4 164.39 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.61 -0.515 . . . . 71.019999999999996 109.61 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 30.5 p90 -131.52 143.12 50.15 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.98 -0.45 . . . . 74.129999999999995 111.375 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.528 ' HB ' HG23 ' A' ' 11' ' ' VAL . 2.1 t -120.72 114.08 21.15 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.043 0.449 . . . . 75.219999999999999 111.355 173.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 36' ' ' ILE . 42.8 t -93.62 116.86 29.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.112 -0.495 . . . . 75.310000000000002 110.94 175.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.406 ' O ' HD11 ' A' ' 36' ' ' ILE . 3.3 m-20 -100.88 106.24 17.58 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.775 0.321 . . . . 75.530000000000001 111.246 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.436 HD11 HG23 ' A' ' 26' ' ' ILE . 62.0 tp -98.68 128.41 44.94 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.048 0.451 . . . . 64.329999999999998 111.874 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.54 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 75.8 mmm -121.59 106.82 11.72 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.167 -0.47 . . . . 63.420000000000002 110.716 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.447 HG23 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -142.12 166.0 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 116.113 -0.494 . . . . 74.430000000000007 111.922 -175.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -92.47 135.38 34.1 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.028 0.442 . . . . 75.450000000000003 111.666 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.2 m -125.46 142.05 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 120.993 0.425 . . . . 71.219999999999999 111.182 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -63.8 -29.09 70.33 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.36 0.504 . . . . 71.319999999999993 112.36 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -166.37 175.94 7.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.995 0.426 . . . . 73.329999999999998 111.464 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.7 p -64.26 -35.12 79.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.291 -0.413 . . . . 74.310000000000002 111.954 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -60.77 -41.94 96.51 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.856 0.836 . . . . 74.140000000000001 110.593 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -60.95 -43.08 99.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.782 -1.099 . . . . 73.530000000000001 111.093 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.641 ' HG ' ' HE3' ' A' ' 63' ' ' MET . 52.3 tp -63.0 -47.44 83.09 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.035 -0.53 . . . . 74.219999999999999 111.559 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.8 p -62.77 -29.62 70.84 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.862 0.363 . . . . 73.230000000000004 111.264 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.4 m -67.55 -41.76 83.73 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.863 0.363 . . . . 75.010000000000005 111.383 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.87 -37.35 84.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.829 0.347 . . . . 74.409999999999997 110.973 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.641 ' HE3' ' HG ' ' A' ' 59' ' ' LEU . 56.5 mtt -58.37 -44.2 88.77 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.052 0.453 . . . . 74.340000000000003 111.06 175.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 25.8 t70 -62.72 -43.83 97.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.205 -0.452 . . . . 70.140000000000001 110.753 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -56.09 -48.32 76.35 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.248 0.547 . . . . 74.109999999999999 111.617 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.543 HD13 HD12 ' A' ' 10' ' ' ILE . 52.5 mt -71.26 -26.36 62.86 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.988 -0.551 . . . . 70.519999999999996 111.643 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -79.8 -6.69 57.82 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 120.951 0.405 . . . . 74.340000000000003 111.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 75.5 mmtt -70.66 -7.22 42.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 122.17 -0.331 . . . . 71.299999999999997 111.614 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.1 t -93.36 115.63 32.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.901 0.381 . . . . 74.040000000000006 111.405 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -57.35 -29.77 64.28 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.631 0.604 . . . . 75.430000000000007 112.631 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.72 -9.83 84.89 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.957 -0.64 . . . . 71.099999999999994 113.949 -178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.6 t -100.93 128.41 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 117.325 0.563 . . . . 64.510000000000005 111.679 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.09 -20.74 13.32 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.42 0.526 . . . . 74.209999999999994 112.42 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.599 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.2 p -126.01 124.91 41.74 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.346 0.593 . . . . 73.299999999999997 111.91 177.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.21 104.88 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 109.207 -0.664 . . . . 72.140000000000001 109.207 172.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -137.01 161.24 36.6 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.276 0.473 . . . . 74.010000000000005 112.276 -168.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -84.22 136.02 34.12 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.045 0.45 . . . . 75.219999999999999 111.496 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 9' ' ' ARG . 97.9 mt -82.18 97.76 8.38 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.161 -0.472 . . . . 74.310000000000002 110.16 169.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.8 p -75.37 -60.78 2.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.089 0.471 . . . . 63.100000000000001 110.938 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -68.31 105.08 2.03 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.126 -0.488 . . . . 72.219999999999999 111.283 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 N--CA 1.467 0.406 0 CA-C-N 116.121 -0.49 . . . . 74.439999999999998 111.778 -178.597 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 CA--C 1.538 0.504 0 CA-C-O 120.612 0.244 . . . . 62.409999999999997 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -129.12 158.77 38.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.217 0.532 . . . . 75.530000000000001 111.173 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 47.1 tp -77.03 107.04 9.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.834 -0.621 . . . . 74.450000000000003 110.797 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.443 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -101.18 154.38 18.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.117 -0.492 . . . . 61.109999999999999 112.101 -177.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . 0.49 ' HA2' ' O ' ' B' ' 49' ' ' LEU . . . -131.26 142.65 14.04 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.203 -0.453 . . . . 70.340000000000003 113.081 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.712 HD11 HD21 ' B' ' 49' ' ' LEU . 46.4 mt -127.44 145.45 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 122.476 -0.426 . . . . 65.420000000000002 111.53 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.656 HH21 ' ND2' ' B' ' 48' ' ' ASN . 17.6 tpp85 -119.79 121.53 39.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.741 0.416 . . . . 73.400000000000006 111.255 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.744 HD11 HD12 ' B' ' 66' ' ' LEU . 42.5 mt -119.44 118.1 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.406 -0.361 . . . . 75.530000000000001 111.163 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.571 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 74.6 t -120.31 116.94 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.385 0.612 . . . . 74.239999999999995 111.028 174.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.43 171.08 26.6 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.694 -0.685 . . . . 54.509999999999998 112.899 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.74 138.57 48.58 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.459 0.647 . . . . 72.319999999999993 112.365 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -78.41 85.02 4.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.816 -0.629 . . . . 73.530000000000001 111.898 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -96.03 161.16 14.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.536 0.684 . . . . 73.450000000000003 112.441 170.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -47.58 -37.03 11.56 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.605 -1.179 . . . . 75.400000000000006 112.9 -175.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.11 -0.68 20.86 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.944 -0.646 . . . . 55.140000000000001 114.151 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.442 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 34.7 mmm -69.32 -52.0 31.57 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 117.808 0.804 . . . . 65.420000000000002 112.9 -176.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 67.7 p -63.09 -28.99 70.46 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.3 0.571 . . . . 75.329999999999998 111.051 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.537 ' ND2' HG13 ' A' ' 33' ' ' ILE . 11.6 m120 -76.1 -48.33 21.12 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.902 -0.59 . . . . 73.409999999999997 111.089 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.513 ' O ' HG22 ' B' ' 25' ' ' VAL . 10.1 pt20 -66.78 -38.49 86.65 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.063 -0.517 . . . . 63.219999999999999 111.336 -177.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.532 ' O ' HG12 ' B' ' 26' ' ' ILE . 11.9 mm -60.81 -54.17 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 112.006 0.373 . . . . 62.119999999999997 112.006 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.406 HG21 HG23 ' A' ' 36' ' ' ILE . 7.1 m -70.52 -26.94 63.81 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.466 0.65 . . . . 75.430000000000007 110.449 178.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.602 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -60.18 -52.28 53.73 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 120.979 -0.629 . . . . 73.329999999999998 112.277 172.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.513 HG22 ' O ' ' B' ' 21' ' ' GLN . 88.2 t -57.09 -38.08 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 120.696 0.284 . . . . 72.109999999999999 111.161 177.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.683 HD12 HD22 ' B' ' 49' ' ' LEU . 51.2 mm -52.76 -47.85 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 121.403 0.62 . . . . 62.43 110.921 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' A' ' 20' ' ' ASN . 5.6 m -61.12 -30.59 70.46 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.656 -0.702 . . . . 75.409999999999997 111.391 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.602 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 44.7 mtpt -81.49 -0.29 41.17 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.999 -0.546 . . . . 73.129999999999995 112.334 -173.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -72.54 169.49 16.37 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.565 0.698 . . . . 73.010000000000005 112.537 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -27.53 57.72 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.364 -0.835 . . . . 61.530000000000001 111.526 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 9.9 t -86.43 168.82 13.43 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.766 -0.652 . . . . 75.019999999999996 112.607 -172.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -99.45 128.43 45.56 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.964 -0.562 . . . . 73.099999999999994 110.837 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.48 ' HA ' HG21 ' B' ' 51' ' ' ILE . 64.7 mt -76.51 112.38 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 112.52 0.563 . . . . 73.409999999999997 112.52 -175.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -84.63 -40.63 17.22 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.017 0.437 . . . . 75.209999999999994 110.85 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 31.2 m -152.11 133.33 14.4 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.921 0.391 . . . . 63.119999999999997 111.517 178.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.616 HG22 ' HB3' ' A' ' 38' ' ' LEU . 9.3 tp -138.24 131.5 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 120.921 0.391 . . . . 73.329999999999998 110.426 174.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.522 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 85.1 t -126.29 141.88 44.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.477 -0.329 . . . . 74.049999999999997 110.841 178.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.638 ' O ' ' HA ' ' A' ' 35' ' ' THR . 9.0 tt -144.65 112.67 6.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.392 -0.596 . . . . 65.439999999999998 109.392 169.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.421 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 3.0 p-10 -125.67 115.98 20.96 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.218 0.533 . . . . 74.319999999999993 111.047 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.561 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -103.35 129.81 50.49 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.737 0.643 . . . . 52.32 112.737 -175.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' B' ' 41' ' ' LYS . 0.1 OUTLIER -144.45 151.85 39.79 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.688 -0.687 . . . . 70.439999999999998 110.605 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 67.01 9.46 6.92 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 112.356 0.502 . . . . 73.340000000000003 112.356 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.87 15.73 59.08 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 120.915 -0.659 . . . . 71.219999999999999 112.637 -173.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.5 mt -131.35 159.94 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 122.898 0.479 . . . . 75.299999999999997 109.779 175.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.561 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 42.7 p90 -129.37 148.98 51.34 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.942 -0.474 . . . . 75.430000000000007 111.449 177.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -122.81 101.05 7.22 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.274 0.559 . . . . 63.329999999999998 111.446 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.576 ' HB3' ' HB ' ' B' ' 10' ' ' ILE . 45.8 t -88.02 131.52 34.61 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.104 -0.498 . . . . 73.200000000000003 111.998 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.656 ' ND2' HH21 ' B' ' 9' ' ' ARG . 3.3 m-20 -113.25 108.19 16.92 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.304 -0.407 . . . . 75.120000000000005 110.455 177.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.712 HD21 HD11 ' B' ' 8' ' ' ILE . 39.2 tp -98.43 128.45 44.81 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.695 0.283 . . . . 72.420000000000002 111.692 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.496 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 63.2 mmm -125.17 106.29 9.79 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.921 0.391 . . . . 71.430000000000007 111.303 177.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.48 HG21 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -145.86 159.86 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.095 0.474 . . . . 63.229999999999997 111.931 -176.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -87.49 131.03 34.49 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.085 0.469 . . . . 75.340000000000003 111.823 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 20.1 m -122.23 141.83 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 121.049 0.452 . . . . 74.530000000000001 111.534 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.575 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 18.3 ptpt -69.36 -25.9 64.4 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.135 -0.484 . . . . 75.420000000000002 112.274 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.575 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 8.9 p30 -158.39 169.76 23.75 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.892 0.377 . . . . 63.229999999999997 111.57 177.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.0 p -68.81 -36.98 78.92 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.222 0.452 . . . . 64.340000000000003 112.222 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.33 -34.58 78.67 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.36 0.6 . . . . 73.430000000000007 110.374 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -58.07 -44.13 87.34 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.719 -0.673 . . . . 72.439999999999998 110.515 172.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.48 ' HG ' ' HE2' ' B' ' 63' ' ' MET . 61.4 tp -63.77 -47.51 80.67 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.955 -0.566 . . . . 72.450000000000003 111.351 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' THR . . . . . 0.495 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 71.7 p -66.11 -29.84 70.23 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.56 -0.291 . . . . 65.519999999999996 111.253 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 45.3 m -61.74 -42.75 99.38 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.793 0.33 . . . . 60.530000000000001 111.019 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 64.2 mt -59.18 -40.86 86.99 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.713 0.292 . . . . 74.519999999999996 110.79 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.495 ' SD ' ' HA ' ' B' ' 60' ' ' THR . 55.3 mtt -54.04 -51.65 63.34 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.091 0.472 . . . . 73.420000000000002 110.848 174.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.422 ' O ' ' HE2' ' B' ' 68' ' ' LYS . 20.6 t70 -58.12 -44.6 87.82 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.688 -0.687 . . . . 73.219999999999999 110.869 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -57.52 -45.4 85.04 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.079 0.466 . . . . 74.420000000000002 111.68 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.744 HD12 HD11 ' B' ' 10' ' ' ILE . 41.2 mt -75.71 -26.39 57.48 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.989 -0.55 . . . . 74.310000000000002 111.631 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -74.93 -8.7 57.24 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.319 -0.4 . . . . 75.340000000000003 112.0 -177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' B' ' 64' ' ' ASP . 72.5 mmtt -72.75 -18.64 61.49 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.698 0.285 . . . . 71.239999999999995 111.668 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 45.0 t -75.98 120.34 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.04 0.448 . . . . 74.140000000000001 111.812 -175.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -32.24 48.71 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.035 0.754 . . . . 65.219999999999999 113.035 -177.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.26 -24.98 72.0 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 121.15 -0.548 . . . . 71.239999999999995 113.658 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 52.7 t -86.69 136.74 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 122.266 -0.549 . . . . 75.329999999999998 111.437 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -122.02 -7.01 8.93 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.08 0.4 . . . . 73.340000000000003 112.08 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.571 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.2 p -137.93 121.94 17.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.978 0.418 . . . . 74.439999999999998 111.319 174.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 34.4 t -132.15 104.84 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 N-CA-C 109.855 -0.424 . . . . 72.019999999999996 109.855 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -128.13 175.26 8.56 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.241 0.543 . . . . 74.430000000000007 112.43 -172.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.414 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 31.2 ttp180 -98.18 142.07 30.32 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.858 -0.61 . . . . 73.129999999999995 111.374 175.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' B' ' 9' ' ' ARG . 93.4 mt -95.61 121.73 37.61 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.543 -0.299 . . . . 71.450000000000003 110.545 174.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 33.1 t -99.83 -40.83 7.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.871 0.367 . . . . 73.209999999999994 111.306 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -83.53 82.68 8.19 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.622 0.725 . . . . 73.129999999999995 111.229 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.4 mt . . . . . 0 N--CA 1.468 0.436 0 CA-C-N 115.745 -0.662 . . . . 72.040000000000006 112.596 -176.341 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 120.976 0.417 . . . . 73.450000000000003 111.288 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.7 tp -84.33 105.54 15.25 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.17 0.509 . . . . 73.329999999999998 111.073 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.74 161.01 14.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 74.329999999999998 111.617 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -139.26 146.32 17.89 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 120.987 -0.625 . . . . 54.43 113.438 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.0 mt -135.18 127.72 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.596 0.359 . . . . 75.209999999999994 110.592 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.491 ' HB2' HD22 ' A' ' 78' ' ' LEU . 16.3 ttt180 -102.47 127.06 49.68 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.158 0.504 . . . . 73.140000000000001 111.491 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.412 HD13 HD12 ' A' ' 66' ' ' LEU . 36.0 mt -116.01 117.73 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 115.718 -0.674 . . . . 74.329999999999998 111.211 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.603 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 68.8 t -119.58 115.48 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 121.535 0.683 . . . . 62.399999999999999 110.802 173.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.04 169.36 24.99 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.449 -0.796 . . . . 54.299999999999997 112.443 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -75.98 129.67 37.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.228 0.537 . . . . 73.439999999999998 111.825 -176.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -72.37 117.0 13.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.103 -0.499 . . . . 62.509999999999998 110.761 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -163.93 135.55 4.73 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.314 0.487 . . . . 72.319999999999993 112.314 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 p30 41.84 22.08 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.136 1.532 . . . . 73.329999999999998 115.136 173.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.79 22.71 7.87 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 121.072 -0.585 . . . . 61.219999999999999 114.342 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.465 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 24.4 mmm -53.8 -44.18 69.95 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.118 0.485 . . . . 74.319999999999993 111.613 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 64.1 p -59.56 -30.17 68.45 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.262 -0.426 . . . . 74.25 111.726 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.419 ' OD1' ' HA ' ' B' ' 32' ' ' ASN . 14.0 m120 -76.72 -49.32 16.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.96 0.41 . . . . 74.040000000000006 110.814 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.465 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.0 pt20 -64.33 -40.93 96.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.224 -0.443 . . . . 75.109999999999999 111.521 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 22' ' ' ILE . 11.2 mm -56.86 -53.61 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.494 0.553 . . . . 74.109999999999999 112.494 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.468 HG22 HG21 ' B' ' 23' ' ' THR . 17.4 m -73.77 -27.44 61.16 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.074 0.464 . . . . 74.319999999999993 110.618 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.23 98.32 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.03 -0.605 . . . . 72.010000000000005 112.33 173.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 21' ' ' GLN . 87.2 t -67.24 -38.94 81.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.916 0.388 . . . . 61.020000000000003 111.105 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.424 HG22 HD12 ' A' ' 49' ' ' LEU . 61.9 mt -53.89 -44.31 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 N-CA-C 112.318 0.488 . . . . 74.319999999999993 112.318 178.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.8 p -60.24 -22.33 62.9 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.236 0.458 . . . . 72.409999999999997 112.236 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -80.63 -5.26 56.65 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 112.517 0.562 . . . . 74.549999999999997 112.517 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -67.53 173.42 4.15 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.942 0.719 . . . . 72.25 112.942 -176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.44 7.88 10.76 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.697 -0.683 . . . . 75.129999999999995 111.813 -178.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -134.43 168.81 18.26 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.437 0.532 . . . . 72.530000000000001 112.437 -172.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.632 ' HA ' HD22 ' B' ' 20' ' ' ASN . 22.2 m120 -105.82 127.94 53.42 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.207 0.527 . . . . 73.230000000000004 111.721 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.47 ' HA ' HG21 ' A' ' 51' ' ' ILE . 3.1 mp -70.79 121.59 20.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.891 -0.595 . . . . 75.230000000000004 111.2 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.22 -23.45 16.17 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.073 0.463 . . . . 72.530000000000001 111.12 176.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 70.5 m -155.59 132.69 10.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.157 -0.474 . . . . 71.120000000000005 110.927 177.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.678 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.7 tp -137.98 126.43 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 120.919 0.39 . . . . 72.409999999999997 110.389 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.5 t -126.63 104.32 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 120.707 0.289 . . . . 70.329999999999998 110.921 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.5 tt -115.43 114.89 25.67 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.918 -0.401 . . . . 71.310000000000002 109.918 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.458 ' HB3' HG21 ' B' ' 35' ' ' THR . 4.2 p-10 -130.82 119.85 22.85 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.398 0.618 . . . . 72.430000000000007 111.545 178.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -99.63 123.27 43.74 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.818 -0.628 . . . . 71.049999999999997 111.582 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -137.54 145.33 42.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.098 -0.501 . . . . 72.299999999999997 110.796 178.28 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 57.61 19.79 5.71 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.89 0.7 . . . . 75.129999999999995 112.89 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.41 0.8 59.39 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.206 -0.521 . . . . 71.450000000000003 113.968 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.95 159.71 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 117.057 0.429 . . . . 75.140000000000001 110.057 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 42.7 p90 -127.67 146.17 50.65 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 122.212 -0.305 . . . . 74.239999999999995 111.303 177.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.402 HG21 ' OD1' ' A' ' 39' ' ' ASN . 2.0 t -122.06 99.85 6.66 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.101 0.477 . . . . 74.319999999999993 110.865 174.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.678 ' SG ' HD11 ' A' ' 36' ' ' ILE . 52.9 t -96.93 118.46 33.4 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.449 -0.341 . . . . 71.040000000000006 111.641 -178.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.447 ' O ' HD13 ' A' ' 36' ' ' ILE . 70.1 m-20 -99.11 112.34 24.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.815 0.34 . . . . 74.310000000000002 110.757 178.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.424 HD12 HG22 ' A' ' 26' ' ' ILE . 33.6 tp -97.34 123.87 41.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.15 -0.477 . . . . 71.030000000000001 111.413 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.401 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 63.5 mmm -118.97 111.72 18.69 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.028 0.442 . . . . 75.239999999999995 111.23 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.47 HG21 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -140.53 158.43 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.011 -0.54 . . . . 63.409999999999997 111.836 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -92.0 133.7 35.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.91 0.386 . . . . 74.420000000000002 111.948 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.05 153.0 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 116.246 -0.434 . . . . 74.140000000000001 111.217 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . 41.5 mtmt -85.74 -31.8 22.22 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.239 0.542 . . . . 75.549999999999997 110.566 173.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -137.12 148.6 46.78 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.853 -0.612 . . . . 54.210000000000001 111.757 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.4 p -64.77 -20.47 66.38 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.304 -0.407 . . . . 74.319999999999993 111.4 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.4 -49.99 75.37 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.249 -0.432 . . . . 73.430000000000007 111.351 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.714 ' HZ1' ' HB2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -61.88 -32.81 73.2 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.951 0.405 . . . . 64.239999999999995 109.941 177.573 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.7 tp -65.48 -47.55 75.65 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.948 -0.569 . . . . 71.049999999999997 111.456 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.7 p -68.74 -30.34 68.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.104 0.478 . . . . 72.25 111.143 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 95.3 m -61.4 -43.41 98.91 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.286 -0.416 . . . . 75.25 111.115 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 58' ' ' LYS . 63.7 mt -59.33 -38.33 80.05 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.501 -0.318 . . . . 72.420000000000002 111.217 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.403 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 58.8 mtt -54.55 -50.56 67.62 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.279 -0.418 . . . . 65.430000000000007 111.092 177.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 18.8 t70 -57.09 -43.5 82.25 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.231 -0.441 . . . . 73.450000000000003 110.95 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -58.23 -45.01 88.51 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.264 0.554 . . . . 75.209999999999994 111.245 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.412 HD12 HD13 ' A' ' 10' ' ' ILE . 64.7 mt -68.53 -32.14 71.88 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.056 -0.52 . . . . 73.450000000000003 111.429 178.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 63' ' ' MET . 88.9 mtt180 -75.01 -8.76 57.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.283 -0.417 . . . . 75.519999999999996 111.816 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.57 ' HE3' ' HA ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -72.4 -12.82 61.27 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.631 0.253 . . . . 75.329999999999998 111.235 175.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 68.8 t -86.52 123.96 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.214 0.531 . . . . 71.030000000000001 111.375 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -59.58 -34.44 72.72 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.399 0.518 . . . . 74.450000000000003 112.399 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.22 -20.32 74.91 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 121.032 -0.604 . . . . 62.310000000000002 114.325 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.3 t -93.17 145.97 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 117.839 0.819 . . . . 71.349999999999994 111.831 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -127.68 -11.23 5.55 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.752 0.649 . . . . 72.310000000000002 112.752 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.603 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.4 p -134.55 124.28 25.22 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.877 -0.515 . . . . 74.420000000000002 111.816 175.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.6 t -135.99 106.4 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.703 -0.48 . . . . 74.200000000000003 109.703 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -128.47 163.38 25.04 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.405 0.52 . . . . 61.329999999999998 112.405 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -85.04 142.93 29.22 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.051 0.453 . . . . 75.150000000000006 111.418 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 9' ' ' ARG . 96.7 mt -105.05 100.81 10.4 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.839 0.352 . . . . 74.409999999999997 110.824 175.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 p -79.99 -60.82 2.19 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.124 0.488 . . . . 74.219999999999999 111.206 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -72.92 119.36 17.06 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.046 -0.524 . . . . 74.329999999999998 110.4 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 CA--C 1.537 0.453 0 CA-C-O 121.293 0.568 . . . . 71.349999999999994 112.306 -175.182 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 121.289 0.566 . . . . 74.150000000000006 112.421 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -151.85 158.47 43.29 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.912 -0.585 . . . . 75.540000000000006 111.102 177.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.8 tp -77.56 109.02 11.15 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.018 -0.537 . . . . 75.219999999999999 111.083 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.459 ' HB3' HD23 ' B' ' 59' ' ' LEU . . . -102.61 158.94 15.88 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.968 -0.56 . . . . 75.340000000000003 111.849 -178.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.07 137.74 9.47 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.221 -0.514 . . . . 54.130000000000003 113.342 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 mt -121.93 147.18 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 122.74 0.416 . . . . 74.219999999999999 110.754 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.554 ' NE ' HG23 ' B' ' 11' ' ' VAL . 0.5 OUTLIER -122.25 118.46 28.6 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.543 -0.298 . . . . 71.340000000000003 110.199 -179.114 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.584 ' O ' ' HA ' ' B' ' 46' ' ' THR . 34.3 mt -115.04 118.62 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 122.389 0.276 . . . . 74.219999999999999 111.448 -176.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.739 ' HB ' ' HG1' ' B' ' 74' ' ' THR . 55.4 t -119.72 120.26 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.247 0.546 . . . . 71.209999999999994 111.781 175.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.23 169.24 28.92 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.731 -0.668 . . . . 75.329999999999998 112.851 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.65 137.44 58.1 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 122.446 -0.444 . . . . 74.230000000000004 111.973 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -79.43 46.32 0.73 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.764 0.653 . . . . 75.310000000000002 112.764 -170.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -61.94 158.24 16.69 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 114.797 1.406 . . . . 74.439999999999998 114.797 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.08 64.88 0.06 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 113.48 -1.691 . . . . 75.349999999999994 111.472 171.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.31 -38.35 0.59 Allowed Glycine 0 CA--C 1.528 0.873 0 CA-C-N 116.056 -0.52 . . . . 54.200000000000003 113.179 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.574 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 35.0 mmm -52.68 -50.61 62.94 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.697 0.629 . . . . 72.329999999999998 112.697 -178.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -56.73 -31.74 64.83 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.023 0.379 . . . . 72.430000000000007 112.023 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.632 HD22 ' HA ' ' A' ' 32' ' ' ASN . 1.8 m-20 -76.82 -48.3 18.89 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.108 0.48 . . . . 73.120000000000005 110.877 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.478 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 8.5 pt20 -65.55 -34.55 78.52 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.033 -0.53 . . . . 74.540000000000006 111.531 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.437 ' O ' HG13 ' B' ' 26' ' ' ILE . 10.0 mm -62.22 -53.78 43.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 111.923 0.342 . . . . 73.439999999999998 111.923 -178.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.468 HG21 HG22 ' A' ' 23' ' ' THR . 4.7 m -73.49 -27.13 61.22 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.034 0.445 . . . . 71.420000000000002 110.463 177.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -58.94 -48.39 85.95 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.277 -0.487 . . . . 64.340000000000003 112.475 173.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.18 -36.1 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 O-C-N 122.328 -0.513 . . . . 75.129999999999995 110.946 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.446 ' O ' ' HB2' ' B' ' 29' ' ' PHE . 77.7 mt -62.74 -36.81 77.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 111.906 0.336 . . . . 72.140000000000001 111.906 176.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 82.7 p -70.56 -22.81 62.55 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.887 -0.508 . . . . 73.230000000000004 110.786 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 50.1 mtpt -82.11 -5.54 58.5 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.259 -0.428 . . . . 73.230000000000004 111.551 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' B' ' 26' ' ' ILE . 2.3 m-30 -64.66 160.57 19.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.548 1.166 . . . . 74.430000000000007 113.85 -173.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.71 -27.87 68.65 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.5 -1.682 . . . . 72.129999999999995 112.329 177.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.4 t -105.19 169.22 8.57 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.351 0.5 . . . . 72.5 112.351 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . 0.485 ' O ' HG21 ' B' ' 51' ' ' ILE . 14.6 m120 -97.99 128.92 44.85 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.991 0.424 . . . . 72.219999999999999 111.755 -176.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.5 103.47 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 116.205 -0.452 . . . . 71.319999999999993 111.395 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -82.13 -38.39 24.84 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.378 0.608 . . . . 75.129999999999995 110.302 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 27.3 m -155.7 152.42 28.57 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.619 -0.719 . . . . 73.129999999999995 109.956 175.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.515 HG22 ' HB3' ' A' ' 38' ' ' LEU . 20.1 tt -162.35 135.8 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 121.051 0.453 . . . . 74.530000000000001 111.893 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 62.5 t -130.73 109.92 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.049 -0.523 . . . . 75.530000000000001 111.083 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.1 tt -110.02 112.21 24.07 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.975 -0.38 . . . . 74.430000000000007 109.975 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -131.66 135.24 46.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 120.989 0.423 . . . . 72.349999999999994 111.547 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.502 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -108.6 129.14 55.32 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.174 0.511 . . . . 73.099999999999994 112.08 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.71 151.39 37.93 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.878 -0.601 . . . . 72.030000000000001 110.43 175.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 61.4 13.35 4.95 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.079 0.466 . . . . 72.540000000000006 111.767 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.19 19.12 61.38 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-N 116.377 -0.374 . . . . 75.409999999999997 113.063 -176.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mt -135.03 145.94 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 122.461 -0.435 . . . . 75.430000000000007 110.216 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.502 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 36.1 p90 -115.45 144.37 43.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.011 0.434 . . . . 72.319999999999993 111.251 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.584 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 2.5 t -118.14 107.27 13.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 72.519999999999996 111.112 175.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.464 ' SG ' HD12 ' B' ' 36' ' ' ILE . 47.8 t -94.26 97.43 10.24 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.19 -0.459 . . . . 71.310000000000002 111.172 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 3.1 m-20 -83.56 111.76 19.39 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.4 -0.364 . . . . 75.430000000000007 111.314 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 54.4 tp -99.99 130.7 46.18 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.954 0.407 . . . . 73.420000000000002 111.807 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.568 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.0 mmm -120.95 113.62 20.36 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.936 0.398 . . . . 64.239999999999995 110.774 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.485 HG21 ' O ' ' B' ' 32' ' ' ASN . 2.3 pp -144.68 162.15 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 116.336 -0.393 . . . . 73.400000000000006 111.695 -176.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -90.35 135.48 33.65 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.102 0.477 . . . . 74.109999999999999 111.765 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 12.9 m -129.47 160.15 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.768 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -88.74 -11.6 44.6 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.762 0.315 . . . . 75.319999999999993 111.808 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.403 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 5.6 p30 -175.28 163.83 3.13 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.859 0.463 . . . . 75.409999999999997 110.584 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.7 p -64.45 -29.7 70.75 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.626 0.602 . . . . 73.340000000000003 112.626 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.32 -36.07 78.74 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.922 0.868 . . . . 54.009999999999998 110.125 177.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 22.7 tptp -62.35 -29.8 70.72 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.173 -0.921 . . . . 75.439999999999998 110.795 172.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.576 ' HG ' ' HE1' ' B' ' 63' ' ' MET . 58.8 tp -77.13 -48.05 18.75 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.929 -0.578 . . . . 73.310000000000002 111.485 177.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 68.7 p -58.65 -37.61 76.34 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.032 0.444 . . . . 74.049999999999997 111.356 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 31.7 m -52.22 -40.24 61.33 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.04 -0.527 . . . . 75.340000000000003 112.007 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.24 -33.8 73.83 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.845 0.355 . . . . 74.200000000000003 110.97 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.576 ' HE1' ' HG ' ' B' ' 59' ' ' LEU . 51.1 mtt -61.72 -46.6 88.97 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.001 0.429 . . . . 74.329999999999998 110.62 176.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 34.8 t70 -57.83 -45.77 85.68 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.999 -0.546 . . . . 71.129999999999995 110.772 176.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.435 ' HD3' ' CE1' ' B' ' 29' ' ' PHE . 72.9 mttt -53.71 -49.59 67.74 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.215 0.531 . . . . 75.299999999999997 111.804 175.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.575 HD12 HD12 ' B' ' 10' ' ' ILE . 43.7 mt -70.71 -29.36 65.62 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.869 -0.605 . . . . 72.109999999999999 111.782 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -76.89 -8.22 56.95 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 120.704 0.288 . . . . 75.510000000000005 111.659 -177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 68.6 mmtt -74.07 -5.98 44.82 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.615 0.245 . . . . 73.200000000000003 111.56 176.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.3 t -86.52 128.93 39.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 120.963 0.411 . . . . 71.420000000000002 111.601 -176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -64.72 -30.09 71.09 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.759 0.651 . . . . 63.340000000000003 112.759 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . 0.574 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -79.95 -17.74 74.07 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 120.834 -0.698 . . . . 71.030000000000001 114.106 -177.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . 0.488 HG21 ' HE1' ' B' ' 18' ' ' MET . 58.9 t -95.81 141.28 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 117.372 0.586 . . . . 65.109999999999999 111.437 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.05 -20.06 9.49 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.233 0.457 . . . . 75.140000000000001 112.233 177.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.739 ' HG1' ' HB ' ' B' ' 11' ' ' VAL . 1.3 p -131.12 118.87 21.11 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.862 0.363 . . . . 63.310000000000002 111.847 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' B' ' 66' ' ' LEU . 21.8 t -130.74 103.25 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 109.733 -0.469 . . . . 72.519999999999996 109.733 171.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -129.9 177.92 6.91 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.092 0.472 . . . . 53.200000000000003 111.683 -173.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.439 ' HB2' ' HE3' ' B' ' 63' ' ' MET . 11.3 ttp180 -92.23 145.48 24.46 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.212 0.53 . . . . 72.430000000000007 112.026 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -93.27 100.33 12.71 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.07 -0.514 . . . . 62.299999999999997 110.155 171.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 34.3 t -80.31 -21.25 42.75 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 112.05 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -112.68 108.72 17.87 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.721 0.296 . . . . 72.519999999999996 111.218 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 63.7 mt . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 121.036 0.446 . . . . 75.340000000000003 111.605 -179.64 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 p90 . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 120.972 0.415 . . . . 75.400000000000006 110.724 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.8 tp -79.75 107.08 12.25 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.093 0.473 . . . . 75.430000000000007 110.641 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.433 ' HB3' HD13 ' A' ' 59' ' ' LEU . . . -96.32 144.73 26.22 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.101 0.408 . . . . 64.319999999999993 112.101 -177.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.27 137.64 13.82 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 121.373 -0.442 . . . . 72.319999999999993 113.241 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.465 HD11 HD21 ' A' ' 49' ' ' LEU . 35.8 mt -126.71 148.82 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.01 0.524 . . . . 73.129999999999995 110.371 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.423 ' HB2' HD21 ' A' ' 78' ' ' LEU . 59.7 ttt180 -131.14 121.88 25.67 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.844 0.355 . . . . 72.319999999999993 111.01 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.724 HD12 HD13 ' A' ' 66' ' ' LEU . 28.7 mt -113.03 116.68 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 116.1 -0.5 . . . . 73.219999999999999 110.929 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.612 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.9 t -116.95 114.6 46.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.581 0.705 . . . . 63.340000000000003 111.555 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.21 172.55 26.78 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 115.46 -0.791 . . . . 54.409999999999997 112.631 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 71' ' ' GLY . 15.3 pt-20 -65.27 139.07 58.58 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.974 0.416 . . . . 72.120000000000005 111.56 -178.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -78.56 45.78 0.6 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 112.793 0.664 . . . . 74.400000000000006 112.793 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -63.35 161.0 14.83 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 114.212 1.19 . . . . 74.230000000000004 114.212 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -45.38 -33.83 2.74 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 113.426 -1.715 . . . . 73.140000000000001 114.282 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.25 -0.09 8.12 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 120.801 -0.714 . . . . 73.140000000000001 114.097 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.591 ' SD ' ' HA3' ' A' ' 71' ' ' GLY . 38.2 mmm -68.43 -52.03 37.26 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.062 0.764 . . . . 73.340000000000003 113.062 -175.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.7 p -60.51 -31.09 70.16 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.09 0.471 . . . . 74.329999999999998 111.459 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -75.79 -47.76 24.48 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.979 -0.555 . . . . 73.409999999999997 110.771 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.4 pt20 -67.16 -35.24 79.25 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.036 0.384 . . . . 74.129999999999995 112.036 -177.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.2 mm -60.57 -53.32 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.213 0.449 . . . . 74.430000000000007 112.213 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 m -71.03 -27.65 63.82 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.098 0.475 . . . . 74.310000000000002 110.54 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.09 -45.15 95.7 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 121.166 -0.54 . . . . 74.209999999999994 112.445 172.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 21' ' ' GLN . 96.4 t -64.74 -37.72 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 121.117 0.484 . . . . 72.030000000000001 111.009 175.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.4 HG22 HD11 ' A' ' 49' ' ' LEU . 69.0 mt -59.06 -39.31 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.095 0.474 . . . . 75.510000000000005 111.392 175.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 m -58.67 -22.3 56.57 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.241 0.543 . . . . 75.409999999999997 111.503 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -84.49 -1.68 56.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.196 -0.456 . . . . 72.439999999999998 112.109 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -74.59 161.37 29.78 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.343 0.592 . . . . 75.230000000000004 112.044 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -24.06 58.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.776 -0.647 . . . . 75.109999999999999 111.428 -178.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.471 HG21 HD13 ' A' ' 51' ' ' ILE . 4.2 t -91.19 165.41 13.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.147 0.795 . . . . 74.430000000000007 113.147 -170.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -88.89 126.3 35.32 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.681 -0.691 . . . . 74.120000000000005 111.311 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.528 HD13 ' HA ' ' B' ' 20' ' ' ASN . 66.9 mt -67.33 94.49 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.226 0.536 . . . . 75.349999999999994 110.635 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -73.25 -35.47 66.24 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.389 0.614 . . . . 74.420000000000002 110.53 -178.043 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.522 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 23.5 m -158.46 149.42 20.56 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.466 -0.788 . . . . 72.510000000000005 110.048 178.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.429 HD13 HD11 ' A' ' 49' ' ' LEU . 18.6 tt -158.15 135.83 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 120.966 0.412 . . . . 75.230000000000004 111.684 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.557 HG22 HG13 ' B' ' 37' ' ' VAL . 60.3 t -132.28 104.71 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 116.188 -0.46 . . . . 75.530000000000001 111.422 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.525 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.1 tt -107.28 125.11 50.74 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.532 -0.544 . . . . 75.409999999999997 109.532 174.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 45' ' ' PHE . 8.5 p30 -139.47 127.81 22.74 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.763 0.316 . . . . 74.120000000000005 111.2 175.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.551 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -93.09 100.2 12.65 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.309 0.576 . . . . 74.310000000000002 111.186 176.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -112.6 139.06 48.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.951 -0.568 . . . . 75.349999999999994 110.301 179.078 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.6 t70 63.77 17.46 10.49 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.391 0.615 . . . . 65.430000000000007 111.484 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.72 5.52 71.36 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 116.208 -0.451 . . . . 60.509999999999998 113.354 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.412 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 8.9 mt -129.07 144.52 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 122.251 -0.558 . . . . 73.409999999999997 110.643 176.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 37.3 p90 -108.65 139.09 43.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.986 0.422 . . . . 75.120000000000005 111.704 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 t -115.35 100.54 8.19 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.098 0.475 . . . . 73.129999999999995 110.794 173.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.427 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 47.0 t -89.64 101.3 13.99 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.254 -0.43 . . . . 74.219999999999999 111.486 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -88.32 108.72 19.48 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.286 -0.416 . . . . 75.530000000000001 110.98 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 8' ' ' ILE . 58.9 tp -98.21 135.2 40.2 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.67 0.388 . . . . 61.210000000000001 111.75 -178.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.522 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 64.7 mmm -125.95 110.35 13.5 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.962 0.41 . . . . 65.129999999999995 111.069 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.487 HG21 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -140.75 160.15 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 121.007 0.432 . . . . 74.430000000000007 111.978 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -91.79 121.93 33.87 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.296 0.57 . . . . 70.310000000000002 112.048 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.9 m -111.58 145.49 17.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 115.844 -0.617 . . . . 71.239999999999995 111.402 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.682 ' HZ3' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -75.29 -17.99 60.15 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.204 0.446 . . . . 73.209999999999994 112.204 176.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.476 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 11.3 p30 -169.59 179.34 3.82 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.87 0.366 . . . . 75.340000000000003 111.539 177.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.2 p -69.97 -35.82 74.75 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.286 0.476 . . . . 60.409999999999997 112.286 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.16 -36.85 85.39 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.521 0.677 . . . . 72.430000000000007 110.124 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -46.38 83.53 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.559 -0.746 . . . . 75.200000000000003 110.569 173.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 6' ' ' ALA . 51.5 tp -65.89 -48.14 72.49 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 111.997 0.369 . . . . 71.439999999999998 111.997 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 79.9 p -64.6 -34.62 78.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.715 0.293 . . . . 72.209999999999994 111.267 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 74.6 m -61.64 -47.75 83.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.522 -0.308 . . . . 74.140000000000001 110.748 173.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.7 mt -56.39 -50.96 70.07 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.122 0.415 . . . . 74.319999999999993 112.122 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 61.9 mtm -61.87 -35.34 78.04 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.82 0.343 . . . . 74.120000000000005 111.184 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -65.65 -39.73 91.72 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.837 0.351 . . . . 75.400000000000006 110.335 175.415 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 61' ' ' THR . 56.8 mtpt -57.79 -51.23 70.45 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.235 0.541 . . . . 71.439999999999998 111.255 175.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.724 HD13 HD12 ' A' ' 10' ' ' ILE . 38.0 mt -66.72 -30.18 70.35 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.825 -0.625 . . . . 74.209999999999994 112.105 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.486 ' HA ' HG23 ' A' ' 75' ' ' VAL . 42.7 ttm180 -71.09 -8.41 53.24 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.096 0.406 . . . . 74.310000000000002 112.096 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 26.4 mmtp -88.89 9.47 24.73 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 122.02 -0.425 . . . . 74.099999999999994 112.032 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.66 112.28 26.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 121.164 0.507 . . . . 74.150000000000006 110.876 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -22.74 11.8 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.689 0.996 . . . . 74.150000000000006 113.689 -178.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.591 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -77.28 -14.83 82.14 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.639 -0.791 . . . . 74.349999999999994 113.551 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 51.9 t -103.39 143.63 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 122.437 -0.449 . . . . 64.099999999999994 111.364 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.75 -15.2 8.93 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.346 0.499 . . . . 75.299999999999997 112.346 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.612 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -133.0 123.92 26.76 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.07 0.462 . . . . 72.239999999999995 111.256 175.271 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.486 HG23 ' HA ' ' A' ' 67' ' ' ARG . 41.7 t -133.3 103.13 5.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 109.305 -0.628 . . . . 72.010000000000005 109.305 171.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -125.76 162.78 24.3 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.119 -0.492 . . . . 73.030000000000001 111.768 -169.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -87.19 139.74 30.26 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.212 0.529 . . . . 73.420000000000002 111.35 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' A' ' 9' ' ' ARG . 95.8 mt -87.05 91.02 8.56 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.218 0.532 . . . . 75.150000000000006 110.171 174.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.9 m -63.32 -41.39 98.9 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.818 -0.628 . . . . 65.430000000000007 112.316 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -105.38 103.11 12.58 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.936 0.398 . . . . 75.049999999999997 110.999 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.2 mt . . . . . 0 CA--C 1.537 0.459 0 CA-C-O 121.388 0.613 . . . . 75.25 112.143 -177.263 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 120.602 0.239 . . . . 72.349999999999994 111.216 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -162.05 157.28 23.25 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.137 0.494 . . . . 72.329999999999998 111.358 170.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -81.08 104.12 11.35 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.995 -0.548 . . . . 72.299999999999997 110.522 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.481 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -95.48 130.24 42.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.101 -0.5 . . . . 64.450000000000003 112.054 -175.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.11 134.68 11.93 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-N 116.144 -0.48 . . . . 63.049999999999997 113.098 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.14 150.8 28.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 122.671 0.388 . . . . 74.019999999999996 110.664 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.473 ' HB2' HD22 ' B' ' 78' ' ' LEU . 74.6 ttt180 -123.9 127.12 47.53 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.941 -0.474 . . . . 71.239999999999995 111.065 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.406 HD11 HD12 ' B' ' 26' ' ' ILE . 34.5 mt -113.46 117.92 56.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.1 -0.5 . . . . 73.420000000000002 111.342 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.595 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 62.3 t -122.48 118.37 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.531 0.681 . . . . 72.409999999999997 110.916 174.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . 0.416 ' HA3' ' HA ' ' B' ' 72' ' ' VAL . . . -142.86 166.83 26.49 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.52 -0.763 . . . . 62.140000000000001 112.25 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.93 122.81 18.2 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.411 0.624 . . . . 75.329999999999998 111.338 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -67.29 103.89 1.36 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.037 -0.529 . . . . 55.219999999999999 111.441 -177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.515 ' HE2' ' HA ' ' B' ' 15' ' ' LYS . 7.9 mmpt? -103.42 -177.86 3.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.681 0.753 . . . . 75.120000000000005 112.145 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -43.49 -43.31 5.33 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.569 -1.196 . . . . 70.140000000000001 113.071 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.43 11.06 2.47 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.634 -0.793 . . . . 72.510000000000005 114.386 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.522 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 29.7 mmm -57.81 -49.65 75.93 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.584 0.587 . . . . 74.239999999999995 112.584 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.7 p -55.74 -36.44 67.27 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.91 0.386 . . . . 73.5 111.757 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.528 ' HA ' HD13 ' A' ' 33' ' ' ILE . 45.4 t-20 -76.43 -48.63 19.04 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.085 0.469 . . . . 75.540000000000006 110.873 -178.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.522 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -65.23 -35.91 82.51 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.311 -0.404 . . . . 73.540000000000006 111.492 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.48 HG13 ' CZ ' ' B' ' 45' ' ' PHE . 10.5 mm -64.01 -53.16 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.054 0.39 . . . . 71.310000000000002 112.054 -178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 14.1 m -67.37 -27.14 66.86 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.255 0.55 . . . . 73.329999999999998 109.988 177.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.76 -51.72 57.31 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 115.877 -0.601 . . . . 62.420000000000002 112.049 169.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.474 HG21 ' O ' ' B' ' 21' ' ' GLN . 90.1 t -56.31 -37.43 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.242 0.544 . . . . 72.519999999999996 110.952 175.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.406 HD12 HD11 ' B' ' 10' ' ' ILE . 72.8 mt -61.0 -43.3 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 116.004 -0.544 . . . . 73.25 111.474 175.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.8 p -69.83 -26.36 64.2 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.012 0.434 . . . . 74.430000000000007 110.647 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' B' ' 25' ' ' VAL . 56.1 mtpt -69.7 -6.92 34.93 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.26 -0.427 . . . . 74.329999999999998 111.834 176.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -66.94 174.35 3.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.792 0.806 . . . . 73.420000000000002 112.278 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.73 15.42 29.38 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.307 -0.86 . . . . 54.130000000000003 111.462 -176.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 t -128.86 165.81 20.3 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 120.992 0.425 . . . . 64.209999999999994 111.98 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . 0.417 ' O ' HG23 ' B' ' 51' ' ' ILE . 27.3 t-20 -91.29 129.29 37.3 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.151 0.5 . . . . 61.43 112.047 -177.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.463 ' HA ' HG23 ' B' ' 51' ' ' ILE . 61.5 mt -76.26 101.07 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.145 -0.48 . . . . 75.030000000000001 111.328 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -74.22 -33.65 63.44 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.225 0.536 . . . . 74.340000000000003 110.55 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 18.6 m -157.47 149.85 22.77 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.7 -0.682 . . . . 72.140000000000001 110.606 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.525 HG22 ' HB3' ' A' ' 38' ' ' LEU . 18.0 tt -159.81 135.02 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 120.968 0.413 . . . . 70.040000000000006 111.405 173.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.557 HG13 HG22 ' A' ' 37' ' ' VAL . 59.3 t -134.91 105.19 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-O 120.767 0.317 . . . . 73.120000000000005 111.555 -178.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 35' ' ' THR . 9.2 tt -108.86 128.5 54.96 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.396 -0.19 . . . . 73.409999999999997 110.734 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -135.87 123.86 22.82 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.082 0.467 . . . . 73.299999999999997 111.062 170.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.531 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -96.24 119.27 34.43 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.07 0.462 . . . . 74.140000000000001 110.737 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.79 145.23 29.85 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.097 -0.501 . . . . 75.109999999999999 111.001 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 t70 63.56 19.14 11.55 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 112.673 0.62 . . . . 73.019999999999996 112.673 175.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.62 1.97 63.56 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 121.05 -0.595 . . . . 72.409999999999997 113.258 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -127.81 169.87 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.715 -0.476 . . . . 73.230000000000004 109.715 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.531 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 34.8 p90 -133.84 148.48 51.3 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.954 -0.466 . . . . 74.450000000000003 110.898 172.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.8 t -126.17 112.05 15.34 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.944 0.402 . . . . 73.5 110.82 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 51.9 t -108.1 112.43 24.96 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.301 -0.409 . . . . 75.019999999999996 111.418 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 3.3 m-20 -93.63 110.74 22.33 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.389 -0.369 . . . . 75.310000000000002 110.951 177.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 53.9 tp -98.58 137.4 37.29 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.954 0.407 . . . . 75.400000000000006 111.848 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.535 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 72.4 mmm -127.66 109.97 12.2 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.969 0.414 . . . . 71.209999999999994 111.253 176.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.463 HG23 ' HA ' ' B' ' 33' ' ' ILE . 2.7 pp -138.53 166.53 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 116.304 -0.407 . . . . 75.430000000000007 111.408 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -97.15 137.48 36.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.971 0.415 . . . . 74.430000000000007 111.828 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.8 m -128.66 153.97 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 116.169 -0.469 . . . . 71.200000000000003 111.025 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -88.29 -19.87 26.18 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.333 0.494 . . . . 73.209999999999994 112.333 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -156.25 172.23 18.84 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 120.991 0.424 . . . . 74.420000000000002 111.835 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 74.3 p -68.86 -34.48 75.53 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.723 0.638 . . . . 70.340000000000003 112.723 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.33 -36.8 85.13 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.442 0.639 . . . . 74.530000000000001 109.973 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -57.44 -42.94 83.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.229 -0.896 . . . . 75.420000000000002 110.722 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' B' ' 6' ' ' ALA . 29.0 tp -67.04 -47.55 71.05 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.92 -0.582 . . . . 74.209999999999994 111.503 177.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 64.6 p -65.78 -28.25 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.927 0.343 . . . . 75.340000000000003 111.927 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 98.2 m -66.31 -40.83 90.23 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.885 0.374 . . . . 71.5 111.094 177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.92 -35.05 74.07 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.379 -0.373 . . . . 64.420000000000002 111.185 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.436 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 59.0 mtt -58.69 -51.61 69.23 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.28 -0.418 . . . . 74.299999999999997 110.812 176.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.01 -44.09 82.45 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.167 -0.47 . . . . 72.329999999999998 111.192 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -56.91 -42.35 79.78 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.227 -0.442 . . . . 71.010000000000005 111.666 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 60.2 mt -72.7 -38.0 67.67 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.143 0.497 . . . . 73.549999999999997 111.562 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.8 mtt180 -65.66 -6.72 12.18 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.422 0.527 . . . . 73.340000000000003 112.422 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -71.01 -20.3 62.42 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.118 -0.364 . . . . 75.239999999999995 111.307 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -84.43 108.12 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.57 0.7 . . . . 71.319999999999993 110.916 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -47.12 -30.61 2.9 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.816 -1.084 . . . . 72.310000000000002 112.81 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.48 -27.47 72.57 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 121.23 -0.509 . . . . 75.349999999999994 113.887 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . 0.416 ' HA ' ' HA3' ' B' ' 12' ' ' GLY . 57.2 t -88.96 143.45 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 122.328 -0.513 . . . . 74.099999999999994 111.24 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.57 -19.2 6.41 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.566 0.58 . . . . 73.340000000000003 112.566 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.595 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.7 p -127.23 120.34 28.48 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.073 0.463 . . . . 74.310000000000002 112.001 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.404 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 40.6 t -128.59 103.34 9.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.06 -0.719 . . . . 74.319999999999993 109.06 169.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -123.67 162.55 22.85 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.38 0.61 . . . . 75.150000000000006 112.64 -168.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.471 ' HG3' HD22 ' B' ' 59' ' ' LEU . 9.7 ttm180 -92.01 123.4 35.34 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.812 -0.631 . . . . 75.319999999999993 110.968 176.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.473 HD22 ' HB2' ' B' ' 9' ' ' ARG . 95.8 mt -69.61 -53.98 16.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.657 0.265 . . . . 70.230000000000004 111.18 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 38.9 t 66.56 -66.41 0.18 Allowed 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.669 0.618 . . . . 70.310000000000002 112.669 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.95 112.02 7.7 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.874 0.368 . . . . 75.109999999999999 110.609 177.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--O 1.233 0.232 0 CA-C-O 121.451 0.643 . . . . 75.230000000000004 111.619 -172.562 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.8 p90 . . . . . 0 C--O 1.235 0.336 0 CA-C-O 120.976 0.417 . . . . 73.409999999999997 110.655 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.0 tp -81.41 102.93 10.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.345 0.593 . . . . 74.209999999999994 110.81 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.441 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -93.89 145.53 24.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.718 -0.674 . . . . 70.219999999999999 111.997 -176.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -117.79 144.23 18.11 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.118 -0.563 . . . . 64.420000000000002 113.541 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.1 mt -130.99 130.7 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.631 0.373 . . . . 75.030000000000001 110.856 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -105.3 124.64 49.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.822 0.344 . . . . 72.219999999999999 111.339 177.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.711 HD13 HD11 ' A' ' 66' ' ' LEU . 47.9 mt -117.68 117.6 55.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.179 -0.464 . . . . 75.040000000000006 110.966 178.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.624 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 66.3 t -118.46 118.49 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 121.651 0.739 . . . . 74.099999999999994 111.381 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.92 170.87 25.1 Favored Glycine 0 CA--C 1.522 0.511 0 CA-C-N 115.339 -0.846 . . . . 71.109999999999999 111.904 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.97 142.69 49.4 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.22 0.533 . . . . 72.010000000000005 112.393 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.29 83.78 0.77 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.137 0.494 . . . . 64.129999999999995 111.366 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HB2' ' CG ' ' A' ' 18' ' ' MET . 34.6 mttp -101.36 154.82 18.46 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.319 0.581 . . . . 64.120000000000005 112.474 170.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -41.84 -39.03 1.66 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.326 1.232 . . . . 70.349999999999994 114.326 -176.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.46 2.08 15.97 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 120.789 -0.72 . . . . 64.439999999999998 113.932 -176.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.516 ' SD ' ' HA3' ' A' ' 71' ' ' GLY . 37.2 mmm -69.24 -51.47 37.3 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.803 0.668 . . . . 74.120000000000005 112.803 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.7 p -62.54 -31.66 72.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.955 0.407 . . . . 72.329999999999998 111.598 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -76.14 -48.07 21.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 75.450000000000003 110.87 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.511 ' O ' HG22 ' A' ' 25' ' ' VAL . 8.9 pt20 -63.78 -38.3 90.59 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.493 -0.321 . . . . 75.129999999999995 111.53 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 22' ' ' ILE . 11.2 mm -59.0 -53.96 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.854 0.359 . . . . 75.209999999999994 111.938 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -72.43 -27.18 62.17 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.307 0.575 . . . . 74.549999999999997 110.453 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.509 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.9 -46.55 93.92 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 121.194 -0.527 . . . . 73.450000000000003 112.151 172.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.514 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 84.4 t -62.71 -41.29 91.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.907 0.384 . . . . 75.310000000000002 110.776 175.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.41 HG22 HD12 ' A' ' 49' ' ' LEU . 72.6 mt -55.71 -44.88 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 116.165 -0.471 . . . . 71.040000000000006 111.76 175.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.5 p -65.92 -21.28 66.43 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.156 -0.34 . . . . 75.150000000000006 111.344 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.514 ' HE2' ' HA ' ' A' ' 25' ' ' VAL . 53.5 mtmt -81.32 4.22 21.39 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.199 0.444 . . . . 74.510000000000005 112.199 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -79.49 167.84 20.24 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.626 0.726 . . . . 64.510000000000005 111.98 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -84.43 -21.45 30.73 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.531 -0.759 . . . . 74.239999999999995 111.795 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.2 t -87.35 158.13 19.1 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.18 0.514 . . . . 73.230000000000004 112.238 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -87.23 125.9 34.48 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.299 -0.41 . . . . 74.239999999999995 111.591 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' B' ' 20' ' ' ASN . 69.4 mt -69.39 104.04 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 116.385 -0.37 . . . . 73.349999999999994 110.971 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -83.99 -33.18 24.62 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.146 0.498 . . . . 75.239999999999995 110.647 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.545 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 61.4 m -155.1 132.3 10.99 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.996 -0.547 . . . . 74.030000000000001 110.908 175.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.637 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.6 tp -135.74 128.15 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.072 0.463 . . . . 74.230000000000004 110.373 174.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 62.8 t -126.16 142.56 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.535 -0.302 . . . . 75.120000000000005 110.533 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.615 ' HB3' HG23 ' B' ' 36' ' ' ILE . 9.2 tt -145.56 136.65 24.74 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.936 -0.394 . . . . 74.219999999999999 109.936 175.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 45' ' ' PHE . 8.7 p30 -151.02 128.77 11.58 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.777 0.323 . . . . 71.310000000000002 110.858 173.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -102.6 106.14 16.77 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.12 0.486 . . . . 64.450000000000003 111.484 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.596 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -121.92 145.37 48.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.218 -0.446 . . . . 75.239999999999995 110.703 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 63.05 7.78 2.9 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.545 0.572 . . . . 64.519999999999996 112.545 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.34 -1.14 46.65 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 121.315 -0.469 . . . . 61.439999999999998 113.329 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.0 mt -126.11 150.47 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 122.61 -0.347 . . . . 75.329999999999998 110.783 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.547 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 37.5 p90 -116.42 146.8 42.24 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.199 0.523 . . . . 64.239999999999995 111.792 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -121.58 106.76 11.66 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.951 -0.568 . . . . 73.140000000000001 110.938 174.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.637 ' SG ' HD11 ' A' ' 36' ' ' ILE . 49.7 t -95.07 123.03 38.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.294 -0.412 . . . . 75.329999999999998 111.568 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -103.73 108.65 20.03 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.226 -0.443 . . . . 73.230000000000004 110.53 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.45 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 40.8 tp -98.08 131.33 44.57 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.838 0.351 . . . . 75.549999999999997 111.863 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.545 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 63.8 mmm -127.89 112.5 14.78 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.395 -0.366 . . . . 75.030000000000001 111.318 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.415 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.6 pp -143.11 162.12 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 116.303 -0.408 . . . . 74.439999999999998 111.719 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -92.08 137.83 32.04 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.86 0.362 . . . . 75.430000000000007 111.968 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 m -132.55 152.04 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 116.158 -0.474 . . . . 74.409999999999997 110.812 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' HD3' ' H ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.5 -17.73 35.57 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.22 0.452 . . . . 73.510000000000005 112.22 179.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -154.25 167.82 28.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.778 0.323 . . . . 73.209999999999994 111.27 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -73.72 -31.33 63.32 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.841 0.682 . . . . 74.430000000000007 112.841 -175.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.21 -33.86 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.494 0.664 . . . . 75.420000000000002 110.625 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -57.16 -36.58 70.92 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.467 -0.788 . . . . 72.540000000000006 110.837 173.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.462 ' HG ' ' HE2' ' A' ' 63' ' ' MET . 61.3 tp -71.64 -47.68 52.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.998 -0.546 . . . . 74.040000000000006 111.684 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.4 p -62.92 -30.1 71.29 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.889 0.376 . . . . 65.430000000000007 111.73 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 100.0 m -61.62 -41.71 97.86 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.035 0.445 . . . . 74.230000000000004 111.462 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.38 -39.85 94.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.952 0.406 . . . . 72.349999999999994 111.577 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.499 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 58.2 mtt -52.18 -49.75 63.23 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.147 -0.479 . . . . 75.099999999999994 111.454 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.75 -42.47 93.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.254 -0.43 . . . . 64.340000000000003 110.818 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -58.55 -35.65 72.67 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.043 0.449 . . . . 74.439999999999998 111.446 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.711 HD11 HD13 ' A' ' 10' ' ' ILE . 64.1 mt -79.92 -26.7 40.04 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.972 -0.558 . . . . 72.019999999999996 111.778 179.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 63' ' ' MET . 1.0 OUTLIER -72.61 -7.4 50.05 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.207 0.447 . . . . 74.430000000000007 112.207 179.003 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -72.53 -6.98 47.66 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 111.793 0.294 . . . . 75.120000000000005 111.793 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.8 t -89.7 117.48 33.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-O 121.104 0.478 . . . . 70.209999999999994 111.519 -178.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -54.72 -33.73 61.48 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.057 0.762 . . . . 72.530000000000001 113.057 -177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.516 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -76.66 -12.71 84.21 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 121.092 -0.575 . . . . 51.130000000000003 114.292 -175.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.44 HG23 ' HE2' ' A' ' 18' ' ' MET . 50.4 t -91.46 149.0 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 117.551 0.675 . . . . 72.430000000000007 111.748 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.38 -14.06 4.29 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.371 0.508 . . . . 70.450000000000003 112.371 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.624 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.1 p -131.98 125.2 30.99 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.01 0.433 . . . . 62.43 111.531 175.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.2 t -139.62 105.14 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 109.658 -0.497 . . . . 72.5 109.658 173.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -141.42 178.1 7.66 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.136 0.421 . . . . 74.510000000000005 112.136 -174.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -90.31 152.77 20.88 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.741 0.645 . . . . 75.510000000000005 112.741 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.7 mt -109.54 105.17 14.38 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.489 -0.778 . . . . 75.519999999999996 110.45 172.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.8 t -92.82 -20.58 20.57 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.758 0.314 . . . . 74.099999999999994 111.784 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -98.96 98.95 9.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.301 0.572 . . . . 73.310000000000002 111.187 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.5 mt . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 112.8 0.667 . . . . 74.400000000000006 112.8 -174.024 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 CA--C 1.542 0.65 0 CA-C-O 120.556 0.217 . . . . 64.319999999999993 110.716 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -137.62 158.82 43.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.246 0.546 . . . . 74.109999999999999 111.562 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.491 ' O ' HD11 ' B' ' 81' ' ' LEU . 56.4 tp -78.66 104.79 9.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 74.310000000000002 110.528 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.459 ' HB3' HD13 ' B' ' 59' ' ' LEU . . . -93.52 127.61 39.26 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.893 0.378 . . . . 74.209999999999994 111.524 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.0 147.78 17.48 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.326 -0.464 . . . . 74.25 112.591 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.469 HD13 HD21 ' B' ' 49' ' ' LEU . 58.1 mt -133.49 126.72 52.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 117.227 0.514 . . . . 72.209999999999994 111.535 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.493 ' HB2' HD23 ' B' ' 78' ' ' LEU . 11.4 tpp85 -97.18 118.79 34.4 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.843 0.354 . . . . 72.0 111.182 175.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.559 HD12 HD13 ' B' ' 66' ' ' LEU . 41.9 mt -117.28 118.08 57.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 116.506 -0.315 . . . . 75.310000000000002 111.23 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.594 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 54.8 t -122.23 122.55 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.535 0.683 . . . . 74.420000000000002 111.575 175.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.09 171.12 31.44 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.66 -0.7 . . . . 73.109999999999999 112.951 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.1 135.89 47.92 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-O 120.945 0.402 . . . . 73.409999999999997 111.95 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.95 47.79 0.67 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.079 0.77 . . . . 73.299999999999997 113.079 -171.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -80.8 170.09 16.74 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 114.86 1.43 . . . . 74.319999999999993 114.86 -171.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -63.68 73.98 0.03 OUTLIER 'General case' 0 C--O 1.235 0.325 0 CA-C-N 113.609 -1.632 . . . . 75.319999999999993 112.468 -169.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.36 -14.91 5.58 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.27 -0.877 . . . . 72.310000000000002 112.856 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.526 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 33.0 mmm -62.39 -52.41 63.71 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.375 0.509 . . . . 74.510000000000005 112.375 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 60.3 p -60.48 -31.05 70.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.038 0.446 . . . . 71.510000000000005 111.632 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.424 ' HA ' HD11 ' A' ' 33' ' ' ILE . 15.0 m120 -75.13 -43.62 51.6 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.235 -0.439 . . . . 75.209999999999994 111.114 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.472 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -73.66 -34.75 65.08 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.154 -0.475 . . . . 75.420000000000002 111.86 -176.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.441 ' O ' HG13 ' B' ' 26' ' ' ILE . 12.6 mm -61.71 -54.32 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.206 0.447 . . . . 75.129999999999995 112.206 -176.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -74.12 -27.02 60.67 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.207 0.527 . . . . 64.109999999999999 110.254 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.43 -49.66 76.1 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.974 -0.557 . . . . 75.329999999999998 112.541 173.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.4 HG22 ' O ' ' B' ' 21' ' ' GLN . 86.4 t -63.52 -38.49 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 O-C-N 122.328 -0.513 . . . . 75.450000000000003 111.231 177.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.444 HG21 HD13 ' B' ' 49' ' ' LEU . 74.4 mt -56.86 -43.84 80.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 112.017 0.377 . . . . 74.239999999999995 112.017 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 83.4 p -62.74 -22.0 66.23 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.889 0.376 . . . . 65.340000000000003 111.578 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 57.4 mttm -81.09 -0.1 38.44 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 111.999 0.37 . . . . 74.129999999999995 111.999 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -73.62 164.4 26.71 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.481 0.658 . . . . 73.329999999999998 112.349 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.13 -31.2 68.62 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.424 -0.807 . . . . 71.230000000000004 111.165 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.0 t -88.28 168.07 13.02 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.335 -0.848 . . . . 73.019999999999996 112.322 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -102.91 128.27 49.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.175 -0.466 . . . . 72.030000000000001 111.743 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.4 ' HA ' HG23 ' B' ' 51' ' ' ILE . 62.0 mt -70.55 104.35 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.151 -0.477 . . . . 75.329999999999998 111.499 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 32.5 mmm-85 -82.7 -30.84 28.9 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.27 0.557 . . . . 63.229999999999997 110.459 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 77.8 m -155.03 147.01 23.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.914 -0.585 . . . . 75.400000000000006 110.597 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' A' ' 38' ' ' LEU . 18.8 tt -160.26 139.53 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 120.954 0.407 . . . . 73.140000000000001 111.314 174.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 95.8 t -137.08 105.28 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 116.533 -0.303 . . . . 75.230000000000004 111.34 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.615 ' HB3' HG21 ' A' ' 36' ' ' ILE . 8.8 tt -108.87 113.91 27.23 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.825 -0.435 . . . . 74.150000000000006 109.825 173.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -132.35 127.78 36.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.021 0.438 . . . . 74.319999999999993 111.251 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -94.91 108.07 20.11 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.173 0.511 . . . . 64.340000000000003 112.079 -178.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.641 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.1 OUTLIER -114.06 137.92 51.08 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.074 -0.512 . . . . 74.439999999999998 110.65 177.213 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 60.15 16.74 6.27 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.22 0.452 . . . . 65.129999999999995 112.22 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.74 11.19 64.12 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.576 -0.345 . . . . 73.340000000000003 113.478 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mt -129.46 142.18 44.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 122.331 -0.511 . . . . 74.5 110.193 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.546 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 38.4 p90 -108.16 143.28 37.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.924 0.392 . . . . 74.219999999999999 111.297 -177.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -119.05 99.26 6.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.333 0.587 . . . . 74.409999999999997 110.873 175.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 53.7 t -94.06 107.66 19.56 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.951 -0.568 . . . . 73.129999999999995 111.996 -178.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 97.4 m-20 -90.04 112.5 23.96 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.691 -0.231 . . . . 75.25 110.79 174.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.469 HD21 HD13 ' B' ' 8' ' ' ILE . 51.7 tp -98.5 132.08 44.22 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.693 0.282 . . . . 74.209999999999994 111.31 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.513 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.3 mmm -124.34 109.72 13.69 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.007 0.432 . . . . 72.450000000000003 111.312 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.4 HG23 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -141.78 161.01 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 116.101 -0.5 . . . . 73.409999999999997 111.792 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -93.81 137.89 32.56 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.242 0.544 . . . . 65.510000000000005 112.285 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.2 m -132.61 154.51 40.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.138 -0.483 . . . . 73.329999999999998 111.13 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.548 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 17.2 tppt? -75.36 -45.87 36.65 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.384 -0.371 . . . . 72.230000000000004 111.249 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.548 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 33.7 m-80 -134.76 165.2 25.83 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.011 0.434 . . . . 74.219999999999999 111.548 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 78.2 p -68.25 -26.45 65.68 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.329 -0.396 . . . . 72.030000000000001 111.803 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.04 -38.77 92.29 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.795 0.807 . . . . 72.219999999999999 110.422 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -59.52 -38.85 82.05 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.302 -0.863 . . . . 74.349999999999994 110.527 172.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.459 HD13 ' HB3' ' B' ' 6' ' ' ALA . 39.2 tp -67.86 -45.66 73.95 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.923 -0.581 . . . . 71.5 111.569 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 72.3 p -62.35 -37.04 84.13 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.881 0.372 . . . . 74.439999999999998 111.237 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.445 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 67.0 m -57.86 -41.88 83.35 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.314 -0.403 . . . . 72.340000000000003 111.188 175.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.0 mt -64.58 -42.38 95.67 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.702 -0.226 . . . . 74.230000000000004 111.527 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.574 ' HE2' ' HB3' ' B' ' 77' ' ' ARG . 47.6 mtt -52.66 -54.39 34.02 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.34 0.59 . . . . 73.510000000000005 110.308 175.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -53.74 -44.68 70.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.105 -0.952 . . . . 74.340000000000003 111.254 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 61' ' ' THR . 49.4 mtpt -59.09 -40.17 84.45 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.146 0.498 . . . . 75.319999999999993 111.707 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.559 HD13 HD12 ' B' ' 10' ' ' ILE . 51.8 mt -76.14 -26.98 56.83 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.168 0.509 . . . . 74.230000000000004 111.583 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' B' ' 63' ' ' MET . 92.3 mtt180 -74.87 -7.55 53.81 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.319 0.489 . . . . 73.5 112.319 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -72.48 -15.56 61.8 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 122.202 -0.311 . . . . 73.310000000000002 111.533 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 51.3 t -84.16 123.83 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 121.048 0.452 . . . . 75.040000000000006 111.632 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -59.88 -36.32 76.68 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.929 -0.578 . . . . 65.329999999999998 112.537 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . 0.526 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -70.24 -17.53 74.17 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 121.098 -0.573 . . . . 70.209999999999994 114.208 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . 0.448 HG22 ' HE1' ' B' ' 18' ' ' MET . 60.4 t -92.36 145.53 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 122.154 -0.615 . . . . 73.519999999999996 111.268 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.33 -8.99 5.24 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.406 0.521 . . . . 71.120000000000005 112.406 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.594 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.0 p -136.02 121.91 19.95 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.891 0.377 . . . . 75.439999999999998 111.497 174.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 49.2 t -139.64 103.81 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 110.096 -0.335 . . . . 75.409999999999997 110.096 173.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -136.85 164.83 27.38 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.574 -0.284 . . . . 74.219999999999999 110.354 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.574 ' HB3' ' HE2' ' B' ' 63' ' ' MET . 29.7 ptt180 -87.42 152.32 22.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.877 0.846 . . . . 74.5 111.476 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' B' ' 9' ' ' ARG . 96.0 mt -94.63 82.03 3.92 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.977 -1.01 . . . . 73.5 109.62 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 32.4 t -56.43 -44.48 80.45 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.211 -0.449 . . . . 75.209999999999994 111.81 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -97.88 106.43 18.73 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.256 0.551 . . . . 74.439999999999998 110.671 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.491 HD11 ' O ' ' B' ' 5' ' ' LEU . 28.0 mt . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 113.64 0.978 . . . . 74.400000000000006 113.64 -172.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.9 p90 . . . . . 0 C--O 1.237 0.406 0 N-CA-C 109.809 -0.441 . . . . 71.510000000000005 109.809 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 tp -78.72 103.35 8.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.215 0.531 . . . . 74.530000000000001 110.96 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.46 ' HB2' HD22 ' A' ' 59' ' ' LEU . . . -93.93 153.4 18.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.696 -0.684 . . . . 65.409999999999997 111.557 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.498 ' HA3' ' HB2' ' A' ' 78' ' ' LEU . . . -132.05 147.15 18.62 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.139 -0.553 . . . . 75.420000000000002 112.964 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.587 HD12 HD23 ' A' ' 49' ' ' LEU . 49.6 mt -127.54 136.83 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-O 120.876 0.369 . . . . 74.230000000000004 110.735 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.488 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 20.4 tpt180 -110.22 120.22 41.74 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.484 -0.325 . . . . 75.450000000000003 111.216 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.825 HD13 HD12 ' A' ' 66' ' ' LEU . 63.5 mt -123.15 131.44 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 111.83 0.307 . . . . 74.409999999999997 111.83 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.489 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 25.3 t -132.85 119.44 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.568 0.699 . . . . 74.109999999999999 110.72 169.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.91 161.54 26.31 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.512 -0.767 . . . . 61.43 112.428 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.77 128.87 37.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.288 0.566 . . . . 74.340000000000003 111.868 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.95 107.33 4.63 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.917 -0.583 . . . . 70.540000000000006 111.749 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -133.64 164.92 26.12 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.718 0.77 . . . . 74.019999999999996 112.828 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -43.46 -35.02 1.47 Allowed 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.152 -1.386 . . . . 74.230000000000004 114.332 -174.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.79 -5.5 13.78 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 120.654 -0.784 . . . . 74.450000000000003 114.049 -176.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.44 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 63.2 mmm -72.13 -52.29 17.38 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.99 0.737 . . . . 75.340000000000003 112.99 -174.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.1 p -60.92 -32.58 72.07 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.96 0.409 . . . . 72.140000000000001 111.535 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -75.79 -45.77 34.34 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.001 0.429 . . . . 70.200000000000003 111.013 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 25' ' ' VAL . 9.4 pt20 -70.33 -35.6 73.72 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.502 -0.317 . . . . 75.409999999999997 111.847 -176.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.575 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 12.7 mm -60.71 -54.59 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 112.394 0.516 . . . . 73.349999999999994 112.394 -177.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -74.1 -27.65 60.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.094 0.473 . . . . 63.030000000000001 110.521 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -61.0 -52.13 54.2 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 121.114 -0.565 . . . . 70.530000000000001 112.523 174.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 21' ' ' GLN . 97.6 t -58.73 -40.27 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-O 120.816 0.341 . . . . 74.349999999999994 111.54 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.423 HG23 HD13 ' A' ' 49' ' ' LEU . 70.9 mt -55.71 -42.83 71.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.14 0.495 . . . . 73.439999999999998 111.73 175.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 m -60.27 -22.04 62.64 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.15 -0.477 . . . . 71.25 111.727 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 43.3 mtpt -85.87 -4.93 59.29 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.064 -0.517 . . . . 75.219999999999999 112.371 -172.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -67.61 171.72 5.96 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.691 0.758 . . . . 72.109999999999999 112.603 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' OD1' ' NZ ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -75.77 -33.84 60.2 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.408 -0.815 . . . . 74.530000000000001 110.762 178.053 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -82.9 160.78 22.05 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.562 -0.745 . . . . 71.510000000000005 112.574 -174.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -95.25 130.22 42.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.889 -0.596 . . . . 74.230000000000004 111.273 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.499 ' HA ' HG22 ' A' ' 51' ' ' ILE . 61.3 mt -67.49 111.15 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.175 -0.466 . . . . 74.200000000000003 111.573 -177.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.507 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -84.14 -36.53 22.83 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.22 0.533 . . . . 74.150000000000006 110.505 178.251 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.498 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 87.9 m -158.88 132.44 7.42 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.807 -0.633 . . . . 65.099999999999994 110.56 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.586 HG22 ' HB3' ' B' ' 38' ' ' LEU . 10.5 tp -134.17 138.18 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.028 0.442 . . . . 71.329999999999998 110.823 177.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 64.7 t -135.67 136.19 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.33 -0.395 . . . . 74.230000000000004 110.667 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.636 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.0 tt -144.62 123.45 12.66 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.734 -0.469 . . . . 70.019999999999996 109.734 173.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -139.09 138.67 37.29 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.887 0.375 . . . . 62.530000000000001 111.47 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.495 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -103.34 121.64 43.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.383 0.611 . . . . 33.329999999999998 111.297 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -136.27 143.18 44.1 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.507 -0.769 . . . . 74.25 110.54 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 60.77 10.14 2.54 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.044 0.757 . . . . 70.219999999999999 113.044 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.31 -9.81 39.07 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 121.426 -0.416 . . . . 60.310000000000002 113.524 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.6 mt -119.26 159.88 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 122.634 -0.333 . . . . 73.430000000000007 110.157 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.575 ' CZ ' HG13 ' A' ' 22' ' ' ILE . 21.3 p90 -119.01 149.76 41.1 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.964 -0.46 . . . . 74.329999999999998 110.791 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -124.0 119.75 30.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.09 0.471 . . . . 70.450000000000003 111.1 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 42.4 t -111.3 129.15 56.08 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 112.062 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.428 ' O ' HD11 ' A' ' 36' ' ' ILE . 90.1 m-20 -108.67 114.83 28.96 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.373 -0.376 . . . . 74.019999999999996 110.524 175.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.587 HD23 HD12 ' A' ' 8' ' ' ILE . 38.6 tp -99.56 119.72 38.51 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.769 0.319 . . . . 63.409999999999997 111.858 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.498 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 68.1 mmm -115.78 111.99 21.33 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.896 0.379 . . . . 72.109999999999999 111.068 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.499 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -142.47 159.54 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.981 0.42 . . . . 71.430000000000007 111.827 -177.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -94.6 133.64 38.03 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.046 0.45 . . . . 73.409999999999997 111.916 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.1 m -133.13 154.15 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 116.45 -0.341 . . . . 74.409999999999997 110.558 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.14 -33.68 20.79 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.893 0.377 . . . . 73.209999999999994 111.285 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -132.61 145.82 51.4 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.51 -0.313 . . . . 74.510000000000005 110.947 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.7 p -63.14 -25.95 68.59 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.904 0.383 . . . . 60.020000000000003 111.643 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.81 -36.45 81.16 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.727 0.775 . . . . 74.25 110.242 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.403 ' NZ ' ' OD1' ' A' ' 30' ' ' ASP . 48.5 tptt -62.22 -46.4 89.04 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.114 -0.948 . . . . 73.299999999999997 111.007 174.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.46 HD22 ' HB2' ' A' ' 6' ' ' ALA . 65.2 tp -62.87 -47.5 83.09 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.109 -0.496 . . . . 74.150000000000006 111.868 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.4 p -61.56 -30.17 70.49 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.761 0.315 . . . . 74.340000000000003 111.658 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.9 m -65.91 -43.87 86.88 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.314 -0.403 . . . . 71.439999999999998 111.63 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.79 -34.51 71.55 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.799 0.333 . . . . 65.129999999999995 111.481 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.454 ' CE ' ' HB2' ' A' ' 77' ' ' ARG . 62.2 mtt -54.93 -52.11 63.98 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.104 0.478 . . . . 74.150000000000006 110.997 175.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.46 -43.85 84.32 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.82 -0.627 . . . . 53.25 110.739 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -58.4 -47.22 84.6 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.109 -0.496 . . . . 74.349999999999994 111.899 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.825 HD12 HD13 ' A' ' 10' ' ' ILE . 81.4 mt -73.66 -26.54 60.8 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.178 0.513 . . . . 74.299999999999997 111.927 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -73.47 -8.38 55.65 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 116.379 -0.373 . . . . 74.530000000000001 111.925 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -79.09 -5.37 53.9 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 111.982 0.364 . . . . 74.230000000000004 111.982 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.511 HG11 HD12 ' A' ' 22' ' ' ILE . 89.1 t -76.4 134.7 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.693 0.759 . . . . 72.319999999999993 112.145 -175.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -49.11 -48.73 44.24 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.605 -1.18 . . . . 74.319999999999993 113.941 -176.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.89 4.61 63.27 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.775 -0.726 . . . . 42.350000000000001 114.794 -170.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.1 t -93.37 131.04 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-N 117.954 0.877 . . . . 62.32 111.562 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -120.81 -2.47 9.81 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.371 0.508 . . . . 75.200000000000003 112.371 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.489 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 29.9 p -138.83 122.12 17.05 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.746 0.308 . . . . 75.049999999999997 111.516 177.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.75 105.28 6.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 120.821 0.343 . . . . 74.409999999999997 110.355 174.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 9' ' ' ARG . 40.7 mt-10 -122.92 177.7 5.38 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.284 0.564 . . . . 73.409999999999997 112.203 -174.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.454 ' HB2' ' CE ' ' A' ' 63' ' ' MET . 10.5 ttp180 -104.21 127.66 51.86 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.772 -0.649 . . . . 72.400000000000006 111.144 172.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.498 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . 95.9 mt -76.12 91.0 3.1 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.042 0.449 . . . . 75.109999999999999 110.189 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.7 t -78.47 -52.63 8.25 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.145 0.498 . . . . 71.409999999999997 111.045 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -86.93 101.71 13.66 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.311 0.577 . . . . 75.400000000000006 110.996 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 N--CA 1.47 0.535 0 CA-C-O 121.3 0.571 . . . . 71.439999999999998 112.279 -176.92 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 109.846 -0.427 . . . . 70.010000000000005 109.846 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -132.06 157.15 44.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.246 0.546 . . . . 71.540000000000006 111.308 -176.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.7 tp -80.73 103.46 10.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.635 . . . . 73.450000000000003 110.838 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.69 140.53 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.716 -0.675 . . . . 74.450000000000003 111.703 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.56 146.37 18.72 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 121.205 -0.521 . . . . 72.349999999999994 112.951 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 20.9 mt -136.08 125.84 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 122.653 -0.322 . . . . 74.349999999999994 110.603 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.463 ' HB2' HD23 ' B' ' 78' ' ' LEU . 33.0 ttp-105 -103.56 123.01 46.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.935 0.398 . . . . 74.230000000000004 111.144 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.569 HD11 HD13 ' B' ' 66' ' ' LEU . 41.7 mt -108.86 116.92 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.065 -0.516 . . . . 70.109999999999999 110.698 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.595 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 76.0 t -114.63 114.62 47.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-O 121.408 0.623 . . . . 72.019999999999996 111.049 177.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.2 166.76 25.95 Favored Glycine 0 CA--C 1.523 0.583 0 CA-C-N 115.769 -0.65 . . . . 64.430000000000007 112.97 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.453 ' HG3' ' HD3' ' B' ' 15' ' ' LYS . 7.8 pt-20 -60.93 117.97 6.12 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 121.226 0.536 . . . . 74.310000000000002 112.226 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.56 101.8 0.37 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.16 -0.473 . . . . 71.239999999999995 111.126 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.453 ' HD3' ' HG3' ' B' ' 13' ' ' GLU . 49.2 mtpt -138.53 168.65 19.31 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.911 1.078 . . . . 72.519999999999996 113.911 -173.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -51.69 -31.01 24.22 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.068 -1.424 . . . . 71.140000000000001 114.24 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.26 -16.6 5.16 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.657 -0.782 . . . . 42.420000000000002 113.845 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.555 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 61.6 mmm -65.07 -51.8 59.36 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.377 0.88 . . . . 73.400000000000006 113.377 -173.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 64.3 p -60.55 -31.9 70.99 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.8 0.333 . . . . 75.540000000000006 111.595 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -76.51 -48.17 20.35 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.168 0.509 . . . . 71.450000000000003 111.127 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.508 ' O ' HG22 ' B' ' 25' ' ' VAL . 9.1 pt20 -66.33 -39.97 89.6 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.118 -0.492 . . . . 75.310000000000002 111.622 -176.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.422 HG13 ' HZ ' ' B' ' 45' ' ' PHE . 9.9 mm -60.19 -54.47 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 112.501 0.556 . . . . 74.450000000000003 112.501 -176.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 13.3 m -74.15 -26.95 60.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.171 0.51 . . . . 75.239999999999995 110.624 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.94 -43.59 97.96 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.991 -0.623 . . . . 62.049999999999997 112.202 171.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.567 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 77.2 t -60.91 -39.16 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 122.748 -0.266 . . . . 63.299999999999997 111.139 175.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.71 HD11 HD21 ' B' ' 49' ' ' LEU . 51.3 mm -52.36 -48.46 44.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-O 121.035 0.445 . . . . 75.329999999999998 111.792 176.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 60.7 p -62.87 -22.45 66.71 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.052 0.39 . . . . 75.140000000000001 112.052 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.567 ' HE3' ' HA ' ' B' ' 25' ' ' VAL . 10.0 mtmp? -78.7 -6.72 56.54 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.267 0.469 . . . . 72.430000000000007 112.267 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -67.63 162.48 23.48 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.741 0.782 . . . . 74.349999999999994 112.403 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -80.49 -21.89 41.51 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.325 -0.852 . . . . 55.420000000000002 111.671 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.4 t -86.24 155.99 20.47 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.162 0.506 . . . . 70.420000000000002 111.95 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -90.54 129.49 36.69 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.106 0.479 . . . . 75.349999999999994 111.619 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.423 ' HA ' HG21 ' B' ' 51' ' ' ILE . 65.5 mt -66.72 120.43 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 115.989 -0.55 . . . . 75.329999999999998 111.426 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -97.06 -39.02 9.53 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.315 0.579 . . . . 73.409999999999997 110.512 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 55.3 m -152.24 132.06 13.26 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.735 -0.666 . . . . 72.120000000000005 110.799 174.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.654 HD11 ' SG ' ' B' ' 47' ' ' CYS . 9.8 tp -133.81 132.92 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 120.859 0.361 . . . . 62.539999999999999 110.462 174.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 57.8 t -134.87 143.93 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.743 0.306 . . . . 72.510000000000005 110.656 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.586 ' HB3' HG22 ' A' ' 36' ' ' ILE . 7.9 tt -144.32 115.71 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.081 -0.387 . . . . 72.319999999999993 110.048 175.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -130.76 134.75 47.15 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.891 0.377 . . . . 74.150000000000006 110.959 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.536 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -99.78 112.6 24.84 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.425 0.631 . . . . 74.299999999999997 111.637 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -125.02 144.35 50.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.525 -0.762 . . . . 73.209999999999994 110.339 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 61.42 15.97 7.08 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.134 0.42 . . . . 72.200000000000003 112.134 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.95 5.92 67.64 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 121.407 -0.425 . . . . 63.219999999999999 113.23 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.8 mt -128.85 151.15 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 122.725 0.41 . . . . 70.0 110.227 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.536 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 37.4 p90 -113.15 143.62 44.05 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.857 -0.527 . . . . 74.239999999999995 111.539 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 1.8 t -118.28 106.3 12.64 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.01 -0.541 . . . . 72.439999999999998 111.197 176.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.654 ' SG ' HD11 ' B' ' 36' ' ' ILE . 42.2 t -91.33 114.27 26.75 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.105 -0.498 . . . . 71.329999999999998 111.076 177.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -100.8 109.92 21.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.697 0.399 . . . . 74.129999999999995 111.066 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.71 HD21 HD11 ' B' ' 26' ' ' ILE . 52.4 tp -98.41 130.87 45.04 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.957 0.408 . . . . 74.109999999999999 111.711 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.467 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.3 mmm -123.28 111.02 15.93 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.224 -0.443 . . . . 75.129999999999995 110.72 176.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.423 HG21 ' HA ' ' B' ' 33' ' ' ILE . 2.5 pp -143.24 162.1 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 116.337 -0.392 . . . . 75.129999999999995 111.677 -177.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -91.33 132.92 35.85 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.948 0.404 . . . . 74.150000000000006 111.661 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 19.9 m -122.04 144.22 32.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.144 -0.48 . . . . 73.219999999999999 111.023 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -79.35 -14.17 59.15 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.41 0.522 . . . . 74.340000000000003 112.41 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -163.77 172.1 14.6 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.823 0.344 . . . . 73.439999999999998 111.392 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -72.03 -33.85 68.34 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.86 0.689 . . . . 64.349999999999994 112.86 -176.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.54 -35.43 80.21 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.535 0.683 . . . . 71.310000000000002 110.298 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -57.8 -43.71 85.85 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.349 -0.842 . . . . 72.109999999999999 110.757 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 33.9 tp -63.5 -46.6 85.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.85 -0.613 . . . . 73.329999999999998 111.666 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 34.3 p -65.56 -29.95 70.63 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 111.99 0.367 . . . . 72.510000000000005 111.99 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 50.5 m -62.82 -41.22 99.22 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.808 0.337 . . . . 72.140000000000001 111.788 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.07 -35.21 76.36 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.774 0.287 . . . . 73.349999999999994 111.774 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.556 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 66.0 mtt -53.84 -53.93 45.61 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.477 -0.329 . . . . 74.25 110.986 177.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -52.98 -46.17 68.17 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.073 -0.512 . . . . 72.230000000000004 111.453 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -58.48 -35.34 72.05 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.831 -0.622 . . . . 74.140000000000001 111.168 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.569 HD13 HD11 ' B' ' 10' ' ' ILE . 70.1 mt -80.64 -29.1 36.76 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.067 0.46 . . . . 70.439999999999998 111.639 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' B' ' 63' ' ' MET . 47.3 mtp180 -73.47 -6.63 47.64 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.442 -0.344 . . . . 74.400000000000006 111.586 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.33 -15.07 62.83 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.972 0.36 . . . . 63.240000000000002 111.972 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.0 113.38 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 120.784 0.326 . . . . 73.349999999999994 111.501 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -57.96 -28.7 64.59 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.34 0.496 . . . . 64.140000000000001 112.34 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . 0.555 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -64.48 -20.23 65.45 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 120.976 -0.63 . . . . 73.310000000000002 113.344 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.9 t -93.49 141.71 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 O-C-N 122.47 -0.429 . . . . 73.209999999999994 110.945 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.84 -23.71 6.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.469 -0.332 . . . . 75.299999999999997 111.836 176.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.595 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.0 OUTLIER -123.52 127.26 48.1 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.234 0.54 . . . . 73.230000000000004 111.578 176.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.454 HG22 ' HG2' ' B' ' 67' ' ' ARG . 51.9 t -132.69 104.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.164 -0.68 . . . . 72.400000000000006 109.164 171.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -128.77 154.54 46.28 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.141 0.496 . . . . 64.329999999999998 112.163 -170.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -83.99 133.5 34.68 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.092 -0.504 . . . . 73.409999999999997 112.137 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.463 HD23 ' HB2' ' B' ' 9' ' ' ARG . 87.5 mt -89.7 94.43 9.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.221 0.534 . . . . 74.329999999999998 110.004 170.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 60.1 p -79.4 -59.97 2.55 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.96 -0.564 . . . . 74.230000000000004 111.358 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -74.63 105.13 5.58 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.938 -0.574 . . . . 74.319999999999993 111.187 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.4 mt . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 121.101 0.477 . . . . 64.140000000000001 111.481 -178.731 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.9 p90 . . . . . 0 N--CA 1.465 0.296 0 N-CA-C 109.815 -0.439 . . . . 71.019999999999996 109.815 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.4 tp -77.73 103.98 7.99 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.199 0.523 . . . . 72.540000000000006 111.299 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.433 ' HB2' HD12 ' A' ' 59' ' ' LEU . . . -97.86 134.45 40.99 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.016 -0.538 . . . . 73.439999999999998 111.671 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.83 141.35 15.88 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.046 -0.597 . . . . 72.549999999999997 113.387 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 40.6 mt -128.88 136.85 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 122.622 0.369 . . . . 74.340000000000003 110.367 177.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' NH2' HD22 ' A' ' 48' ' ' ASN . 18.5 ttm180 -118.15 125.0 49.36 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.1 0.476 . . . . 72.209999999999994 111.489 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.608 HD12 HD13 ' A' ' 66' ' ' LEU . 25.9 mt -112.87 116.83 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 115.668 -0.696 . . . . 75.239999999999995 110.674 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.556 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 95.2 t -115.79 113.59 43.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.547 0.689 . . . . 73.329999999999998 110.948 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.19 175.25 21.27 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.468 -0.787 . . . . 75.439999999999998 112.639 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.64 133.37 40.87 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.409 0.623 . . . . 73.230000000000004 112.124 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -70.92 86.45 0.71 Allowed 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.294 0.568 . . . . 75.200000000000003 111.953 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HB2' ' CG ' ' A' ' 18' ' ' MET . 43.0 mttp -102.09 158.54 16.09 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.508 0.67 . . . . 71.319999999999993 112.511 168.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -49.85 -31.32 11.67 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.657 -1.156 . . . . 73.430000000000007 113.599 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.67 0.2 17.94 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 120.601 -0.809 . . . . 72.209999999999994 114.399 -178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.433 ' CG ' ' HB2' ' A' ' 15' ' ' LYS . 53.5 mmm -74.29 -51.8 14.17 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 117.516 0.658 . . . . 75.519999999999996 112.53 -176.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -60.47 -31.26 70.28 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.266 0.555 . . . . 72.439999999999998 111.323 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.51 ' ND2' HG13 ' B' ' 33' ' ' ILE . 12.5 m120 -75.16 -48.3 24.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.652 -0.704 . . . . 74.340000000000003 110.948 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' HG21 ' A' ' 25' ' ' VAL . 2.1 pt20 -66.34 -37.42 85.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.174 -0.466 . . . . 71.450000000000003 111.474 -177.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 22' ' ' ILE . 12.1 mm -62.68 -54.89 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 112.234 0.457 . . . . 74.329999999999998 112.234 -177.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 m -72.97 -26.59 61.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.275 0.56 . . . . 75.150000000000006 110.193 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.527 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.03 -51.71 57.67 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 121.029 -0.605 . . . . 54.539999999999999 112.369 171.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 21' ' ' GLN . 87.4 t -59.66 -40.14 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-O 120.843 0.354 . . . . 74.329999999999998 111.174 175.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mt -54.0 -48.73 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 116.165 -0.471 . . . . 74.349999999999994 111.798 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.4 p -64.86 -22.02 66.91 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.607 0.241 . . . . 62.310000000000002 111.603 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 67.5 mttm -75.05 -5.59 44.89 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.16 0.43 . . . . 72.140000000000001 112.16 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -69.37 168.38 14.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.619 0.723 . . . . 73.25 112.338 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.34 -24.71 31.97 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.276 -0.875 . . . . 72.030000000000001 111.854 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 t -86.34 159.05 19.51 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.64 0.607 . . . . 73.129999999999995 112.64 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -91.06 124.2 35.11 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.924 -0.58 . . . . 63.520000000000003 111.804 -174.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.45 ' HA ' HG21 ' A' ' 51' ' ' ILE . 61.5 mt -76.43 110.67 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 116.455 -0.339 . . . . 73.230000000000004 111.747 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HA ' ' HD3' ' A' ' 34' ' ' ARG . 21.8 mmt85 -94.14 -20.51 19.82 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 122.063 -0.398 . . . . 75.129999999999995 111.711 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 6.8 m -158.43 142.85 15.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.353 -0.385 . . . . 74.329999999999998 110.725 174.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.627 HG21 ' HB3' ' B' ' 38' ' ' LEU . 0.0 OUTLIER -147.5 133.3 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.171 -0.307 . . . . 74.140000000000001 110.171 172.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.466 HG13 ' OD1' ' A' ' 39' ' ' ASN . 96.6 t -134.23 103.44 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-O 121.032 0.444 . . . . 74.340000000000003 111.726 178.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.513 ' HB3' HG23 ' B' ' 36' ' ' ILE . 8.3 tt -109.3 113.73 26.81 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 109.912 -0.403 . . . . 74.140000000000001 109.912 174.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.466 ' OD1' HG13 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -130.92 112.98 13.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.359 0.599 . . . . 74.439999999999998 111.637 178.788 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -85.64 136.08 33.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.645 0.736 . . . . 61.210000000000001 112.02 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.63 ' HD2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -119.64 -145.98 0.38 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.244 -0.889 . . . . 73.120000000000005 109.874 177.639 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.48 ' O ' HG13 ' A' ' 44' ' ' ILE . 3.9 m-20 -51.7 86.62 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 112.75 0.648 . . . . 73.409999999999997 112.75 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.7 5.64 32.04 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 114.775 0.67 . . . . 62.210000000000001 114.775 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 42' ' ' ASP . 3.4 mt -132.52 162.16 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 117.574 0.687 . . . . 72.219999999999999 110.804 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 35.3 p90 -133.07 150.75 52.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.713 0.292 . . . . 73.430000000000007 111.172 174.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.509 HG22 ' HE3' ' A' ' 41' ' ' LYS . 1.8 t -127.34 111.71 14.2 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.36 -0.382 . . . . 64.040000000000006 111.052 174.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.44 ' SG ' HD13 ' A' ' 36' ' ' ILE . 46.7 t -104.56 116.26 31.77 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.294 -0.412 . . . . 73.209999999999994 111.546 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.503 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 75.1 m-20 -97.57 114.07 25.91 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.36 0.264 . . . . 63.219999999999999 111.039 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.8 tp -98.12 123.25 42.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.842 0.353 . . . . 73.430000000000007 111.191 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.447 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 67.2 mmm -117.46 108.22 15.26 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.104 0.478 . . . . 73.310000000000002 111.264 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.45 HG21 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -139.99 161.4 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.935 -0.575 . . . . 74.409999999999997 111.592 -176.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -92.93 139.47 30.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.974 0.416 . . . . 72.430000000000007 111.487 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.7 m -132.75 141.8 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.01 0.433 . . . . 73.420000000000002 111.47 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -79.19 -15.5 57.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.331 -0.395 . . . . 74.010000000000005 112.06 177.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -160.05 153.22 21.89 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.818 0.342 . . . . 72.439999999999998 111.553 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -63.93 -27.89 69.45 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.366 -0.379 . . . . 73.209999999999994 112.006 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.07 -41.53 78.93 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.213 0.53 . . . . 62.439999999999998 110.655 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -57.43 -51.91 67.52 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.918 -0.583 . . . . 73.120000000000005 111.143 174.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.466 HD21 ' HD2' ' A' ' 77' ' ' ARG . 58.4 tp -59.12 -48.11 82.8 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.13 -0.486 . . . . 75.0 112.037 -177.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.4 p -63.72 -35.39 80.39 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.825 0.345 . . . . 74.510000000000005 111.448 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.2 m -64.88 -45.45 85.92 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.745 0.307 . . . . 74.430000000000007 110.948 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.5 mt -58.29 -49.14 78.2 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.602 -0.272 . . . . 71.209999999999994 111.416 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 57.6 mtm -61.49 -36.24 79.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 120.985 -0.286 . . . . 72.409999999999997 111.424 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.494 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 24.5 t70 -63.8 -45.77 88.16 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.907 -0.317 . . . . 73.409999999999997 110.5 174.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -51.38 -39.05 56.36 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.363 0.601 . . . . 72.230000000000004 110.955 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.608 HD13 HD12 ' A' ' 10' ' ' ILE . 38.0 mt -76.71 -28.93 56.02 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.808 -0.633 . . . . 70.450000000000003 111.403 177.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 67' ' ' ARG . 3.8 mmp_? -67.79 -18.92 65.01 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.382 -0.372 . . . . 74.329999999999998 111.767 176.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.494 ' HE3' ' O ' ' A' ' 64' ' ' ASP . 7.7 mmpt? -71.17 -15.87 62.5 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 111.875 0.324 . . . . 72.349999999999994 111.875 -176.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.402 HG12 ' HE2' ' A' ' 18' ' ' MET . 60.7 t -78.04 122.06 32.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 121.034 0.445 . . . . 74.340000000000003 111.932 -175.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -61.43 -28.23 69.11 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.717 -0.674 . . . . 63.119999999999997 112.441 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.6 -11.32 83.2 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 121.248 -0.501 . . . . 73.540000000000006 114.095 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.5 t -97.36 147.0 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 117.471 0.636 . . . . 75.049999999999997 111.327 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.35 -34.6 4.26 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 111.949 0.352 . . . . 75.420000000000002 111.949 175.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.556 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.4 p -116.39 130.9 57.01 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.141 0.496 . . . . 75.329999999999998 111.792 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.1 t -138.13 104.3 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 109.383 -0.599 . . . . 73.549999999999997 109.383 171.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -124.12 153.39 41.54 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.29 -0.414 . . . . 75.420000000000002 111.812 -171.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.466 ' HD2' HD21 ' A' ' 59' ' ' LEU . 30.4 ttt85 -82.77 126.99 33.02 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.952 0.406 . . . . 71.409999999999997 110.858 172.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.9 mt -76.85 96.59 4.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.994 0.426 . . . . 73.420000000000002 109.926 172.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.9 p -73.61 -57.31 4.08 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.08 0.467 . . . . 55.32 111.372 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -84.99 107.39 17.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.41 -0.359 . . . . 73.329999999999998 110.043 175.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 121.627 0.727 . . . . 74.400000000000006 112.77 -173.365 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.481 ' HA ' ' HA ' ' B' ' 54' ' ' LYS . 4.8 p-10 . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.148 0.499 . . . . 53.229999999999997 112.058 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.89 153.89 33.95 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.135 -0.484 . . . . 74.329999999999998 110.767 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 tp -78.8 103.21 8.6 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.041 0.448 . . . . 74.099999999999994 111.085 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.1 149.01 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.027 -0.533 . . . . 72.120000000000005 111.547 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . 0.435 ' HA3' ' HB2' ' B' ' 78' ' ' LEU . . . -122.13 145.54 16.66 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.831 -0.7 . . . . 74.319999999999993 113.306 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.479 HD12 HD21 ' B' ' 49' ' ' LEU . 49.5 mt -132.86 149.71 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 122.72 0.408 . . . . 75.030000000000001 110.46 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -130.65 124.86 32.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.944 0.402 . . . . 74.329999999999998 111.171 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.534 ' HB ' ' HB3' ' B' ' 47' ' ' CYS . 35.3 mt -116.37 117.31 55.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.042 -0.526 . . . . 74.409999999999997 110.822 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.645 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 54.3 t -116.62 114.29 45.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-O 121.698 0.761 . . . . 73.120000000000005 111.29 176.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.45 170.89 24.23 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.324 -0.853 . . . . 70.019999999999996 112.234 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -68.48 134.67 50.47 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.111 0.481 . . . . 72.109999999999999 112.099 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -78.61 81.82 4.9 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.449 0.642 . . . . 74.109999999999999 111.433 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -94.43 166.71 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.649 0.738 . . . . 75.519999999999996 112.649 170.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -75.58 55.89 0.86 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.56 -1.2 . . . . 73.420000000000002 111.123 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.26 -27.48 0.25 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.945 -0.57 . . . . 74.200000000000003 112.939 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.442 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 38.6 mmm -56.84 -51.01 70.69 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.251 0.463 . . . . 75.230000000000004 112.251 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.7 p -58.3 -33.8 69.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.966 0.413 . . . . 75.109999999999999 111.831 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -72.47 -47.76 46.21 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.173 0.511 . . . . 73.430000000000007 110.659 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.442 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 8.7 pt20 -66.34 -36.7 83.58 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.984 -0.553 . . . . 73.239999999999995 111.441 -177.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.466 HD11 HG12 ' B' ' 69' ' ' VAL . 13.8 mm -62.01 -54.45 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 112.22 0.452 . . . . 74.310000000000002 112.22 -177.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -71.79 -27.24 62.81 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.228 0.537 . . . . 72.430000000000007 110.259 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.495 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.77 -47.58 90.24 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 115.869 -0.605 . . . . 73.209999999999994 112.437 173.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 21' ' ' GLN . 92.6 t -65.81 -38.81 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 122.611 -0.346 . . . . 74.430000000000007 111.111 175.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 22' ' ' ILE . 72.8 mt -58.11 -41.91 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 120.858 0.361 . . . . 71.239999999999995 111.717 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 84.0 p -65.03 -21.58 66.86 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 122.13 -0.356 . . . . 73.040000000000006 111.4 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 29.2 mtpp -80.58 -0.91 39.87 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.038 0.384 . . . . 72.540000000000006 112.038 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -70.22 163.71 25.85 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.515 0.674 . . . . 74.140000000000001 112.078 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -19.05 50.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.734 -0.666 . . . . 74.109999999999999 111.328 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.8 t -97.4 157.08 16.17 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.887 0.699 . . . . 74.25 112.887 -170.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -84.55 126.26 33.15 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.734 -0.666 . . . . 75.219999999999999 111.287 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.51 HG13 ' ND2' ' A' ' 20' ' ' ASN . 73.3 mt -75.83 99.4 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 120.925 0.393 . . . . 75.329999999999998 111.595 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.416 ' HD2' ' HB3' ' A' ' 40' ' ' ALA . 20.9 tpt180 -76.89 -27.35 54.95 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.272 0.558 . . . . 73.010000000000005 110.696 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 6.7 m -159.55 148.49 17.94 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.034 -0.53 . . . . 74.439999999999998 110.514 176.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 38' ' ' LEU . 17.5 tt -157.63 138.35 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.45 0.643 . . . . 74.120000000000005 111.628 171.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 92.8 t -130.37 146.96 33.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.563 -0.744 . . . . 70.329999999999998 110.022 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.627 ' HB3' HG21 ' A' ' 36' ' ' ILE . 9.6 tt -143.04 110.94 5.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.045 -0.354 . . . . 74.109999999999999 110.045 172.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' B' ' 45' ' ' PHE . 55.6 m-20 -113.53 107.91 16.45 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.474 -0.33 . . . . 73.310000000000002 111.485 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -90.74 103.69 16.36 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.274 0.559 . . . . 73.329999999999998 110.694 175.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' B' ' 43' ' ' GLY . 64.0 pttt -124.54 141.83 51.8 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.993 -0.549 . . . . 71.430000000000007 110.507 -178.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 18.6 t70 71.05 -32.8 0.25 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.573 0.583 . . . . 72.530000000000001 112.573 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' B' ' 41' ' ' LYS . . . 140.84 0.81 1.68 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.711 -0.556 . . . . 72.019999999999996 111.711 -171.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.06 153.13 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 122.77 0.428 . . . . 74.420000000000002 110.158 175.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.3 p90 -118.48 141.11 48.88 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.897 0.38 . . . . 73.120000000000005 111.367 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -113.49 99.89 8.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.992 0.425 . . . . 74.409999999999997 110.875 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 43.4 t -87.29 108.79 19.11 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.131 0.491 . . . . 72.530000000000001 111.803 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.53 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 15.2 m120 -93.15 105.34 17.44 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.217 -0.447 . . . . 73.299999999999997 111.3 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.479 HD21 HD12 ' B' ' 8' ' ' ILE . 63.7 tp -98.29 139.69 33.7 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.864 0.364 . . . . 74.140000000000001 111.37 -178.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.562 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.4 mmm -131.61 112.84 12.95 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.852 0.358 . . . . 75.349999999999994 110.857 176.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.503 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -139.43 159.07 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.982 0.42 . . . . 73.430000000000007 111.822 -176.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -93.23 132.71 37.15 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.022 0.439 . . . . 74.109999999999999 112.161 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 m -135.81 159.16 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 116.311 -0.404 . . . . 73.439999999999998 110.499 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.481 ' HA ' ' HA ' ' B' ' 3' ' ' ASP . 38.0 mtmm -97.64 -18.87 18.65 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.931 0.396 . . . . 75.219999999999999 111.983 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -136.95 142.27 42.64 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.946 0.403 . . . . 73.340000000000003 111.45 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -61.04 -29.89 69.99 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.862 0.363 . . . . 73.319999999999993 111.585 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.97 -38.67 91.72 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.579 0.704 . . . . 71.010000000000005 110.473 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -58.02 -40.85 81.82 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.447 -0.797 . . . . 75.230000000000004 110.959 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 57.3 tp -65.11 -47.62 76.51 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.039 -0.528 . . . . 73.420000000000002 111.587 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.3 p -64.62 -32.48 74.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.916 0.389 . . . . 65.209999999999994 111.235 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 56.1 m -58.43 -41.38 84.93 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.972 0.415 . . . . 73.549999999999997 111.326 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.11 -38.12 89.91 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.433 -0.349 . . . . 74.439999999999998 110.971 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.445 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 59.4 mtt -55.97 -53.68 53.91 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.53 -0.305 . . . . 74.25 110.678 176.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -53.61 -42.2 67.45 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.266 -0.424 . . . . 71.129999999999995 111.195 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -58.94 -45.24 90.91 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.209 0.528 . . . . 74.239999999999995 111.337 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 51.0 mt -72.71 -26.73 61.7 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.098 -0.501 . . . . 74.430000000000007 111.575 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 63' ' ' MET . 92.7 mtt180 -74.28 -8.35 55.92 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.245 -0.434 . . . . 71.239999999999995 111.672 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -77.71 -15.15 59.35 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.785 0.326 . . . . 73.120000000000005 111.672 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.466 HG12 HD11 ' B' ' 22' ' ' ILE . 45.1 t -76.03 118.89 23.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.379 0.609 . . . . 75.140000000000001 111.47 -177.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 pm0 -51.28 -33.13 27.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.971 -1.013 . . . . 75.439999999999998 113.359 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.72 -1.27 65.92 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 120.92 -0.657 . . . . 74.0 114.596 -174.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -104.88 129.9 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-N 117.811 0.806 . . . . 75.310000000000002 111.83 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -111.04 -17.37 13.28 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.495 0.554 . . . . 74.549999999999997 112.495 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.645 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.1 p -129.06 127.93 42.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.168 0.509 . . . . 70.420000000000002 111.893 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.0 t -135.95 104.75 4.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 116.051 -0.522 . . . . 73.25 109.841 172.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -123.73 170.99 9.96 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.283 -0.417 . . . . 53.229999999999997 111.875 -171.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -95.79 142.5 28.0 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.163 0.506 . . . . 70.120000000000005 111.259 172.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.435 ' HB2' ' HA3' ' B' ' 7' ' ' GLY . 97.5 mt -87.68 109.59 19.8 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.13 0.49 . . . . 75.120000000000005 110.285 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 79.6 p -89.51 -43.25 10.95 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.594 0.59 . . . . 75.310000000000002 112.594 -173.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -95.85 100.1 11.84 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 120.961 0.41 . . . . 63.020000000000003 110.886 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 mt . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 121.371 0.605 . . . . 74.239999999999995 112.582 -174.926 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.4 p90 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.821 0.343 . . . . 74.519999999999996 110.16 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.6 tp -83.01 107.29 15.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.255 0.55 . . . . 75.200000000000003 111.361 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.32 156.29 17.32 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.811 -0.631 . . . . 71.109999999999999 111.709 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.09 147.43 17.71 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 121.128 -0.558 . . . . 71.329999999999998 113.594 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.42 HG23 ' HG2' ' A' ' 63' ' ' MET . 41.3 mt -135.76 151.01 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.097 0.559 . . . . 74.230000000000004 110.397 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.452 ' HB2' HD22 ' A' ' 78' ' ' LEU . 68.4 ttt180 -131.01 137.56 49.26 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 122.066 -0.396 . . . . 74.540000000000006 111.167 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 66' ' ' LEU . 46.5 mt -127.9 118.6 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 116.297 -0.41 . . . . 72.120000000000005 111.722 -174.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.635 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.3 t -117.07 115.41 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.55 0.69 . . . . 75.349999999999994 110.8 172.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.69 168.68 25.83 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.681 -0.69 . . . . 72.349999999999994 112.792 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.55 132.09 46.35 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.392 0.615 . . . . 73.0 112.194 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.18 89.71 4.88 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.269 0.557 . . . . 75.439999999999998 111.664 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.448 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 35.6 mttp -100.83 173.5 6.47 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.797 1.036 . . . . 60.409999999999997 113.797 175.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -52.21 -13.5 0.34 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.984 -1.462 . . . . 74.140000000000001 114.499 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.46 2.37 0.93 Allowed Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.553 -0.832 . . . . 72.099999999999994 114.303 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.484 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 71.5 mmm -64.63 -51.42 62.73 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 117.685 0.742 . . . . 72.439999999999998 112.916 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.9 p -60.74 -32.23 71.52 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 122.024 -0.422 . . . . 75.450000000000003 111.772 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -74.83 -45.75 41.22 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.987 0.422 . . . . 75.329999999999998 110.837 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.484 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.2 pt20 -70.61 -33.19 70.77 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.209 -0.45 . . . . 75.430000000000007 111.77 -177.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.515 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 11.7 mm -63.91 -54.66 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 112.111 0.412 . . . . 53.219999999999999 112.111 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 m -72.29 -26.8 62.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.269 0.557 . . . . 71.439999999999998 110.062 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.592 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.66 -52.3 53.86 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.797 -0.638 . . . . 62.420000000000002 112.373 172.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 21' ' ' GLN . 69.9 t -60.32 -38.0 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 122.366 -0.491 . . . . 62.219999999999999 111.086 176.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 22' ' ' ILE . 69.2 mt -58.39 -45.09 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 116.2 -0.455 . . . . 72.25 111.774 175.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.423 ' HA ' HD11 ' A' ' 33' ' ' ILE . 96.9 p -67.99 -22.26 65.01 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.834 0.35 . . . . 64.439999999999998 111.137 178.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 95.5 mttt -75.55 -6.72 51.66 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.581 -0.281 . . . . 74.299999999999997 111.62 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.539 ' HE1' ' HZ2' ' A' ' 65' ' ' LYS . 18.3 m-30 -69.03 147.51 51.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.359 0.599 . . . . 73.329999999999998 112.18 178.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -63.64 -23.02 67.21 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.525 -0.761 . . . . 70.310000000000002 112.336 177.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.8 t -86.97 169.47 12.42 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.322 0.582 . . . . 73.519999999999996 112.293 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.435 ' O ' HG21 ' A' ' 51' ' ' ILE . 16.5 m120 -94.63 122.13 36.91 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 112.241 -177.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 27' ' ' SER . 57.8 mt -65.33 94.75 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-O 120.96 0.41 . . . . 64.519999999999996 110.68 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -80.24 -32.25 38.42 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.792 0.329 . . . . 72.519999999999996 110.765 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.566 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 63.7 m -155.85 135.91 12.88 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.202 -0.454 . . . . 75.010000000000005 110.732 174.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.572 ' O ' ' HA ' ' B' ' 37' ' ' VAL . 10.8 tp -136.01 144.35 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.673 0.273 . . . . 73.540000000000006 111.21 177.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 99.3 t -135.06 139.3 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.361 -0.381 . . . . 74.530000000000001 110.275 174.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.654 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.3 tt -145.08 127.65 16.09 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.583 -0.525 . . . . 73.540000000000006 109.583 171.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.445 ' OD1' HG23 ' A' ' 46' ' ' THR . 1.9 p-10 -144.86 119.34 9.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.209 0.528 . . . . 72.450000000000003 111.688 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -104.94 120.69 42.06 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.772 -0.649 . . . . 65.439999999999998 112.097 -177.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -129.85 142.21 50.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.403 -0.362 . . . . 72.450000000000003 111.416 177.521 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.4 t70 70.78 -28.43 0.18 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 113.314 0.857 . . . . 64.340000000000003 113.314 174.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.68 -2.96 1.29 Allowed Glycine 0 CA--C 1.524 0.613 0 C-N-CA 121.417 -0.42 . . . . 74.400000000000006 112.238 -175.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mt -124.9 154.5 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.693 0.282 . . . . 72.409999999999997 110.303 176.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.534 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 45.0 p90 -122.63 154.24 38.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 73.420000000000002 111.351 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 1.5 t -124.75 103.44 8.09 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.118 0.485 . . . . 73.140000000000001 111.352 172.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 45.1 t -97.23 117.67 31.97 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.424 -0.353 . . . . 61.439999999999998 111.609 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.496 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 3.1 m-20 -103.11 115.49 30.68 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.397 0.279 . . . . 63.219999999999999 110.935 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.1 tp -101.46 136.44 41.29 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.315 0.487 . . . . 62.520000000000003 112.315 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.564 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 72.5 mmm -127.31 112.85 15.53 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.246 -0.434 . . . . 74.409999999999997 110.765 175.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.435 HG21 ' O ' ' A' ' 32' ' ' ASN . 2.3 pp -141.86 165.72 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 116.355 -0.384 . . . . 72.450000000000003 111.72 -175.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -97.0 133.79 41.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.966 0.412 . . . . 74.349999999999994 111.953 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 m -132.38 153.32 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.167 -0.47 . . . . 75.209999999999994 110.948 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -91.17 -3.06 57.36 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.39 0.515 . . . . 72.420000000000002 112.39 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -169.28 148.02 3.83 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 120.769 0.319 . . . . 75.430000000000007 111.739 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.2 p -60.59 -26.23 66.82 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.309 0.485 . . . . 73.319999999999993 112.309 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.95 -44.31 96.41 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.349 0.595 . . . . 73.109999999999999 110.017 177.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -57.16 -41.22 78.79 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.459 -0.791 . . . . 74.129999999999995 110.843 174.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.7 tp -61.49 -47.41 85.78 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.098 -0.501 . . . . 72.5 111.501 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.3 p -64.9 -31.66 73.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.852 0.358 . . . . 70.310000000000002 111.183 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 95.0 m -62.16 -45.26 94.22 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.881 0.372 . . . . 73.510000000000005 111.242 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.9 -48.43 80.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.599 -0.273 . . . . 71.109999999999999 111.374 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.493 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 69.1 mtm -56.23 -39.03 71.87 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.849 0.357 . . . . 74.450000000000003 110.957 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 13.2 t70 -62.32 -46.32 89.26 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.521 -0.308 . . . . 64.019999999999996 110.722 175.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.617 ' HZ1' ' HB3' ' A' ' 65' ' ' LYS . 9.0 mtpm? -55.99 -38.71 70.81 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.067 0.461 . . . . 74.129999999999995 111.413 176.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.666 HD13 HD12 ' A' ' 10' ' ' ILE . 60.9 mt -73.07 -32.37 64.98 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.029 -0.532 . . . . 74.530000000000001 111.34 178.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 63' ' ' MET . 91.9 mtt180 -71.87 -8.85 56.82 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.833 0.349 . . . . 74.430000000000007 111.909 177.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.517 ' HE3' ' HA ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -79.67 -8.54 59.28 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 111.769 0.285 . . . . 75.019999999999996 111.769 177.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.9 t -78.65 131.34 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.162 0.506 . . . . 73.349999999999994 111.494 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 71' ' ' GLY . 19.0 pt20 -48.22 -48.78 34.85 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.692 0.997 . . . . 71.129999999999995 113.692 -174.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.457 ' N ' ' HG3' ' A' ' 70' ' ' GLN . . . -92.78 0.62 70.27 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 115.064 0.785 . . . . 63.32 115.064 -170.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.9 t -94.68 126.26 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 118.155 0.978 . . . . 72.340000000000003 111.747 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.11 -24.44 11.95 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.171 -0.468 . . . . 75.239999999999995 112.188 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.635 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.3 p -125.25 128.72 48.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.302 0.572 . . . . 70.219999999999999 112.091 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 37.7 t -141.33 105.19 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.762 -0.654 . . . . 64.219999999999999 109.339 172.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -118.1 164.07 15.68 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.271 0.558 . . . . 71.310000000000002 112.392 -173.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.426 ' NH1' ' OG ' ' A' ' 79' ' ' SER . 64.0 ttp85 -86.53 146.5 26.35 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.844 -0.616 . . . . 73.439999999999998 111.093 175.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 9' ' ' ARG . 98.0 mt -104.35 123.25 47.06 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.902 0.382 . . . . 72.409999999999997 110.882 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.426 ' OG ' ' NH1' ' A' ' 77' ' ' ARG . 71.2 m -101.33 -45.9 5.19 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.19 0.519 . . . . 73.439999999999998 111.33 -178.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -83.13 104.64 13.47 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.108 -0.496 . . . . 63.420000000000002 111.003 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 CA--C 1.539 0.544 0 CA-C-O 120.997 0.427 . . . . 71.310000000000002 112.146 -175.857 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.444 ' HA ' ' HA ' ' B' ' 54' ' ' LYS . 6.6 p-10 . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 121.191 0.519 . . . . 61.229999999999997 112.357 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -113.12 157.68 21.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.101 -0.5 . . . . 74.150000000000006 110.112 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 58.9 tp -80.05 108.53 13.72 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.102 0.477 . . . . 74.120000000000005 111.461 -178.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.426 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -108.48 156.03 19.93 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.984 -0.553 . . . . 71.409999999999997 112.069 -177.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.98 145.72 15.86 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 121.193 -0.527 . . . . 63.299999999999997 113.424 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 54.3 mt -132.48 141.16 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 122.883 0.473 . . . . 74.310000000000002 110.922 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.528 ' HB2' HD23 ' B' ' 78' ' ' LEU . 77.2 ttt180 -119.3 127.63 53.38 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 122.002 -0.436 . . . . 72.150000000000006 111.279 175.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' B' ' 46' ' ' THR . 22.0 mt -117.45 118.54 58.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-N 116.075 -0.511 . . . . 75.340000000000003 111.089 -178.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.593 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 89.3 t -118.34 118.73 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.47 0.652 . . . . 65.299999999999997 111.208 174.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.09 164.87 25.79 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.575 -0.739 . . . . 73.310000000000002 112.346 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -69.28 135.81 51.0 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.145 0.498 . . . . 72.129999999999995 111.844 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.83 87.94 0.54 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.383 0.611 . . . . 64.209999999999994 111.409 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.414 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 32.5 mmmt -88.57 -178.3 5.79 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 122.123 0.963 . . . . 75.450000000000003 112.663 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -45.17 -36.7 3.95 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 113.805 -1.543 . . . . 73.0 113.306 175.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.75 24.22 0.49 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 120.829 -0.7 . . . . 74.25 114.125 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.504 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 30.4 mmm -61.2 -50.04 74.74 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.574 0.583 . . . . 73.299999999999997 112.574 -179.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 68.1 p -55.01 -33.78 62.9 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.189 0.519 . . . . 73.409999999999997 111.525 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -76.02 -48.56 20.5 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.938 -0.573 . . . . 74.030000000000001 111.03 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.504 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -67.55 -37.86 83.31 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.319 -0.4 . . . . 73.430000000000007 111.561 -177.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 11.8 mm -57.79 -54.0 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 112.194 0.442 . . . . 64.329999999999998 112.194 -177.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m -73.37 -27.08 61.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.365 0.602 . . . . 70.129999999999995 110.491 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -38.98 96.65 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-N 115.947 -0.57 . . . . 64.310000000000002 112.765 172.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 21' ' ' GLN . 94.8 t -71.96 -35.44 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 O-C-N 122.433 -0.451 . . . . 74.510000000000005 111.029 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 66.4 mt -56.68 -41.33 74.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 120.947 0.403 . . . . 64.540000000000006 111.967 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.4 p -62.37 -20.86 64.85 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 120.782 0.325 . . . . 73.040000000000006 111.528 177.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -90.97 16.82 8.8 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 111.979 0.362 . . . . 72.439999999999998 111.979 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -84.0 166.9 17.38 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.059 0.933 . . . . 74.510000000000005 113.217 -178.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.66 13.61 5.51 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 114.574 -1.194 . . . . 63.039999999999999 111.555 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.4 t -134.15 163.71 28.99 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.84 -0.537 . . . . 71.209999999999994 111.915 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -97.0 134.18 40.7 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.012 0.434 . . . . 72.120000000000005 111.864 -177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.433 ' HA ' HG21 ' B' ' 51' ' ' ILE . 62.9 mt -72.43 120.68 21.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 116.155 -0.475 . . . . 75.219999999999999 111.951 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' B' ' 34' ' ' ARG . 20.6 mmt180 -98.79 -33.15 11.02 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.914 0.388 . . . . 75.239999999999995 111.174 173.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.654 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 30.3 m -153.92 132.09 11.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.181 -0.463 . . . . 74.409999999999997 111.033 174.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.638 HD13 ' SG ' ' B' ' 47' ' ' CYS . 10.4 tp -133.53 119.04 32.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.045 0.45 . . . . 72.340000000000003 110.188 173.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 77.9 t -131.35 104.59 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.05 0.452 . . . . 73.129999999999995 111.602 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.566 ' O ' ' HA ' ' A' ' 35' ' ' THR . 8.3 tt -111.62 131.32 55.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.406 -0.361 . . . . 71.209999999999994 110.051 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -143.37 139.11 29.86 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.981 0.42 . . . . 75.019999999999996 110.918 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.576 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -109.0 117.1 33.34 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.085 0.469 . . . . 75.319999999999993 111.349 178.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.469 ' HG2' ' OD2' ' B' ' 42' ' ' ASP . 0.0 OUTLIER -146.93 153.96 40.72 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.787 -0.642 . . . . 74.319999999999993 109.851 -179.522 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . 0.469 ' OD2' ' HG2' ' B' ' 41' ' ' LYS . 22.6 m-20 63.77 21.14 12.55 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.994 0.426 . . . . 74.010000000000005 111.388 -176.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.89 -5.15 85.64 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.541 -0.361 . . . . 50.130000000000003 113.851 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -124.8 162.03 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 122.537 -0.39 . . . . 74.25 110.201 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.576 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 25.9 p90 -121.72 144.72 48.62 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.873 -0.517 . . . . 74.540000000000006 111.685 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 8.7 t -122.75 111.79 17.13 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.005 -0.543 . . . . 75.010000000000005 110.987 175.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.638 ' SG ' HD13 ' B' ' 36' ' ' ILE . 44.9 t -92.14 128.63 38.06 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.262 -0.426 . . . . 73.049999999999997 110.726 176.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.431 ' O ' HD12 ' B' ' 36' ' ' ILE . 46.3 t-20 -109.41 113.32 26.02 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.332 -0.395 . . . . 64.349999999999994 110.671 -177.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 59.3 tp -111.62 117.38 32.79 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.246 0.546 . . . . 74.430000000000007 112.453 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.563 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 69.3 mmm -112.36 112.1 23.43 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.985 -0.552 . . . . 74.219999999999999 110.966 175.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.433 HG21 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -141.6 165.41 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 116.271 -0.422 . . . . 75.319999999999993 111.46 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -92.54 136.53 33.14 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.973 0.416 . . . . 62.109999999999999 111.833 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -130.86 141.35 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 116.238 -0.437 . . . . 74.010000000000005 110.851 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' B' ' 3' ' ' ASP . 0.1 OUTLIER -73.08 -11.55 60.59 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.669 0.618 . . . . 75.230000000000004 112.669 179.627 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -174.93 176.62 2.14 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.901 0.481 . . . . 74.400000000000006 110.962 173.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 81.9 p -70.06 -32.91 71.25 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.662 0.616 . . . . 75.420000000000002 112.662 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -62.72 -42.0 99.44 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.766 0.794 . . . . 63.229999999999997 110.217 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -58.14 -39.91 79.95 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.896 -1.047 . . . . 74.519999999999996 110.976 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.426 HD21 ' HB1' ' B' ' 6' ' ' ALA . 54.7 tp -66.77 -48.17 69.88 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.217 -0.447 . . . . 73.340000000000003 111.642 177.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 70.0 p -66.04 -27.72 68.31 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.423 -0.353 . . . . 62.340000000000003 111.858 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 92.2 m -58.3 -41.8 85.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.198 0.523 . . . . 73.219999999999999 111.051 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.51 -35.58 79.84 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.996 -0.547 . . . . 72.040000000000006 111.3 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.455 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 55.3 mtt -59.01 -51.1 71.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.884 0.373 . . . . 72.310000000000002 110.526 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.14 -45.11 79.7 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.011 -0.54 . . . . 74.239999999999995 110.991 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -55.43 -43.67 75.58 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.022 0.439 . . . . 74.439999999999998 111.71 176.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 43.6 mt -72.06 -33.11 67.7 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.184 0.516 . . . . 62.409999999999997 111.652 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' B' ' 63' ' ' MET . 98.2 mtt180 -70.15 -7.53 42.4 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.355 0.502 . . . . 75.510000000000005 112.355 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -71.95 -15.83 62.08 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 122.011 -0.431 . . . . 74.340000000000003 111.2 176.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 51.2 t -82.87 119.02 31.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.942 0.401 . . . . 63.0 111.257 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -62.66 -20.2 64.58 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.915 -0.584 . . . . 74.239999999999995 112.493 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.46 -20.47 66.48 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 121.116 -0.564 . . . . 73.5 113.73 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 53.4 t -91.3 146.06 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 117.423 0.611 . . . . 74.340000000000003 111.53 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -123.96 -21.46 5.09 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.298 0.481 . . . . 74.519999999999996 112.298 175.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.593 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 7.8 p -127.22 123.55 36.84 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.926 -0.483 . . . . 73.430000000000007 111.841 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.407 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 37.2 t -134.28 103.68 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 109.367 -0.605 . . . . 72.540000000000006 109.367 170.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -122.01 170.96 9.31 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.234 0.54 . . . . 75.150000000000006 112.231 -169.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -94.76 144.0 25.99 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.017 -0.538 . . . . 74.349999999999994 110.671 172.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' B' ' 9' ' ' ARG . 90.0 mt -92.12 125.13 36.68 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.384 -0.371 . . . . 75.329999999999998 111.349 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 97.2 p -88.93 -53.98 4.34 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.036 0.384 . . . . 75.400000000000006 112.036 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -99.85 108.25 20.47 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.138 0.494 . . . . 63.520000000000003 111.78 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.2 mt . . . . . 0 CA--C 1.535 0.386 0 CA-C-N 116.053 -0.521 . . . . 73.329999999999998 111.582 -177.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 6' ' ' ALA . 55.2 p90 . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.882 0.372 . . . . 75.120000000000005 110.418 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.2 tp -81.68 102.43 10.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.36 0.6 . . . . 71.120000000000005 110.931 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.416 ' HB3' ' CE2' ' A' ' 4' ' ' PHE . . . -95.37 155.75 16.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.589 -0.732 . . . . 74.129999999999995 111.575 -178.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.33 143.1 14.13 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.172 -0.467 . . . . 63.530000000000001 112.811 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.2 mt -131.34 138.08 54.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 122.727 -0.279 . . . . 73.319999999999993 110.601 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HB2' HD23 ' A' ' 78' ' ' LEU . 54.7 ttp180 -111.75 118.37 35.43 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.183 -0.302 . . . . 75.140000000000001 110.183 174.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 46' ' ' THR . 31.6 mt -105.91 116.6 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.625 -0.261 . . . . 74.239999999999995 110.799 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.572 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 54.4 t -116.31 113.55 43.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 121.669 0.747 . . . . 71.230000000000004 111.504 178.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.26 167.62 26.03 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.388 -0.824 . . . . 71.230000000000004 112.645 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -65.16 134.05 52.88 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.389 0.614 . . . . 73.209999999999994 112.403 -177.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.486 ' CG ' HH12 ' B' ' 34' ' ' ARG . 12.6 t70 -74.08 111.77 9.57 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.811 -0.631 . . . . 74.030000000000001 111.613 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -137.77 168.61 19.33 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.489 0.922 . . . . 64.450000000000003 113.489 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -72.07 57.9 0.35 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.181 -1.372 . . . . 73.299999999999997 112.03 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.38 -33.06 0.32 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 115.451 -0.795 . . . . 72.540000000000006 113.268 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.424 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 58.4 mmm -57.96 -51.62 68.89 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.951 0.723 . . . . 75.030000000000001 112.951 -178.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.3 p -59.39 -34.15 72.07 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.186 0.517 . . . . 74.019999999999996 111.573 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.481 ' HA ' HD11 ' B' ' 33' ' ' ILE . 2.2 m-20 -76.06 -42.38 47.72 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.89 -0.596 . . . . 71.030000000000001 111.39 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.46 ' O ' HG22 ' A' ' 25' ' ' VAL . 8.6 pt20 -71.93 -37.31 70.04 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.885 0.374 . . . . 73.430000000000007 111.293 -176.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.418 HD11 ' HA ' ' A' ' 22' ' ' ILE . 10.1 mm -61.36 -54.33 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.237 0.458 . . . . 71.319999999999993 112.237 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.0 m -71.38 -26.97 63.02 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.412 0.625 . . . . 75.340000000000003 110.027 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.563 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.43 -45.12 96.02 Favored Glycine 0 CA--C 1.528 0.869 0 CA-C-N 115.753 -0.658 . . . . 70.219999999999999 112.582 172.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 21' ' ' GLN . 89.6 t -65.55 -38.39 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 122.364 -0.492 . . . . 75.329999999999998 110.933 176.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.427 HG22 HD11 ' A' ' 49' ' ' LEU . 62.5 mt -55.75 -44.63 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 116.165 -0.47 . . . . 74.109999999999999 112.084 176.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.5 p -64.2 -21.59 66.63 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.872 0.368 . . . . 72.120000000000005 111.03 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 91.2 mttt -86.7 14.32 7.24 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.32 -0.4 . . . . 74.430000000000007 111.724 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -86.17 175.42 8.52 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.713 0.768 . . . . 71.109999999999999 112.496 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.45 8.55 38.16 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.157 -0.928 . . . . 73.549999999999997 111.468 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 t -129.0 165.95 20.14 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 112.515 0.561 . . . . 74.209999999999994 112.515 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -99.58 119.93 38.85 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.169 -0.469 . . . . 74.310000000000002 112.115 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.61 119.21 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 116.071 -0.513 . . . . 74.0 111.425 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 4.4 mmp_? -100.98 -30.66 11.51 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.462 0.649 . . . . 74.340000000000003 110.441 175.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 18.4 m -156.95 145.65 19.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.443 -0.798 . . . . 70.400000000000006 109.791 176.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' B' ' 37' ' ' VAL . 14.3 tt -153.63 144.28 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.099 0.476 . . . . 74.439999999999998 111.738 173.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.477 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 80.5 t -136.27 134.64 49.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-N 115.625 -0.716 . . . . 72.5 110.253 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.592 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.4 tt -136.46 111.43 8.89 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.928 -0.397 . . . . 75.200000000000003 109.928 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.441 ' OD1' HG22 ' A' ' 46' ' ' THR . 6.2 p-10 -130.62 126.05 35.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.187 0.517 . . . . 73.030000000000001 111.268 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -103.67 116.6 32.65 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.175 -0.466 . . . . 75.409999999999997 112.232 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.448 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -135.92 148.97 48.76 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.001 -0.545 . . . . 73.030000000000001 110.623 178.653 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.0 t70 64.81 14.65 9.33 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.361 0.6 . . . . 54.219999999999999 111.761 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.92 9.87 70.34 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 121.209 -0.519 . . . . 64.299999999999997 113.211 -177.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 mt -130.06 158.3 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 122.698 0.399 . . . . 75.030000000000001 109.945 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.471 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 45.5 p90 -128.46 145.57 51.06 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 122.054 -0.404 . . . . 73.120000000000005 111.299 178.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.531 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -116.97 106.18 13.13 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.214 0.53 . . . . 62.539999999999999 111.475 174.797 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.442 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 53.6 t -88.11 100.12 12.71 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.218 0.532 . . . . 63.229999999999997 111.225 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.477 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 16.0 m120 -84.1 105.13 14.73 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.883 -0.598 . . . . 72.140000000000001 111.322 177.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.427 HD11 HG22 ' A' ' 26' ' ' ILE . 52.9 tp -98.71 132.55 44.0 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.999 0.37 . . . . 70.519999999999996 111.999 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.517 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.9 mmm -122.57 111.79 17.21 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.389 -0.369 . . . . 71.099999999999994 111.172 175.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.39 161.91 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 116.319 -0.4 . . . . 72.409999999999997 111.952 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -91.07 131.38 36.68 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.023 0.44 . . . . 75.319999999999993 111.971 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.98 147.56 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.921 0.391 . . . . 74.25 110.693 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -74.94 -19.99 59.88 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.093 0.775 . . . . 71.040000000000006 113.093 -176.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -163.84 165.63 22.7 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.96 0.409 . . . . 73.439999999999998 111.599 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.6 p -63.57 -26.9 68.9 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.058 0.392 . . . . 64.519999999999996 112.058 -176.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.18 -41.93 80.7 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.352 0.596 . . . . 71.030000000000001 109.666 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -57.98 -34.6 70.14 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.12 -0.946 . . . . 70.109999999999999 110.989 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.0 tp -71.38 -48.0 52.71 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.933 -0.576 . . . . 74.340000000000003 111.427 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.3 p -61.71 -29.49 70.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.999 0.428 . . . . 74.209999999999994 111.193 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.452 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 50.6 m -61.23 -47.9 83.94 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.151 0.5 . . . . 75.420000000000002 110.751 175.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.93 -36.73 75.25 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.068 -0.515 . . . . 75.319999999999993 111.499 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.407 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 62.6 mtt -55.13 -53.62 53.62 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.064 0.459 . . . . 64.140000000000001 110.922 175.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.66 -41.97 82.56 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.902 -0.59 . . . . 72.549999999999997 110.907 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HZ1' ' HB3' ' A' ' 65' ' ' LYS . 7.5 mtpm? -59.19 -40.02 84.39 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.138 -0.483 . . . . 75.540000000000006 111.444 177.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.9 mt -74.65 -29.44 61.26 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.262 0.554 . . . . 74.030000000000001 111.157 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 63' ' ' MET . 96.8 mtt180 -72.55 -6.52 44.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.011 -0.54 . . . . 74.129999999999995 111.997 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -71.97 -8.81 56.63 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.775 0.321 . . . . 74.239999999999995 111.152 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.5 t -93.68 111.19 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-O 120.987 0.422 . . . . 74.010000000000005 110.869 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -57.69 -28.93 64.25 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.69 0.626 . . . . 73.150000000000006 112.69 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.68 -16.09 73.91 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 121.183 -0.532 . . . . 65.439999999999998 113.87 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.3 t -93.1 134.27 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 117.405 0.603 . . . . 74.329999999999998 111.478 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.9 -13.8 11.94 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.366 0.506 . . . . 72.25 112.366 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.572 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -134.26 125.98 28.85 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.07 0.462 . . . . 71.209999999999994 111.424 174.592 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.0 t -130.89 104.02 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 108.925 -0.768 . . . . 75.209999999999994 108.925 170.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -124.93 156.7 37.58 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.019 -0.537 . . . . 75.319999999999993 112.298 -166.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -86.48 139.63 30.71 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.202 0.525 . . . . 75.239999999999995 111.445 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 9' ' ' ARG . 94.9 mt -89.57 108.23 19.54 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.891 -0.595 . . . . 74.540000000000006 110.233 173.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.3 p -75.51 -63.48 1.28 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.312 0.486 . . . . 73.239999999999995 112.312 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.68 119.25 25.03 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.984 0.421 . . . . 72.140000000000001 111.727 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt . . . . . 0 CA--C 1.541 0.623 0 CA-C-N 116.279 -0.419 . . . . 74.200000000000003 111.185 179.594 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.567 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 11.7 t70 . . . . . 0 N--CA 1.474 0.775 0 CA-C-O 120.727 0.299 . . . . 63.409999999999997 111.543 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -150.31 161.03 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.033 0.444 . . . . 75.239999999999995 111.412 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 48.5 tp -81.06 103.46 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.219 0.533 . . . . 74.409999999999997 110.79 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.422 ' HB2' HD21 ' B' ' 59' ' ' LEU . . . -96.49 152.18 18.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.817 -0.629 . . . . 73.200000000000003 112.209 -177.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.53 144.8 15.34 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 116.155 -0.475 . . . . 41.32 113.163 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 51.3 mt -133.59 143.41 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 122.864 0.466 . . . . 73.340000000000003 110.471 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.504 ' HB2' HD23 ' B' ' 78' ' ' LEU . 40.1 ttt180 -118.11 131.91 56.39 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.988 -0.445 . . . . 65.340000000000003 111.172 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.451 HD12 HD12 ' B' ' 66' ' ' LEU . 37.1 mt -119.46 117.33 53.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.001 -0.545 . . . . 73.420000000000002 110.856 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.611 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 60.3 t -121.83 118.65 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.593 0.711 . . . . 73.319999999999993 111.119 176.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.0 169.65 26.13 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-N 115.213 -0.903 . . . . 71.430000000000007 112.055 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -64.42 132.57 50.43 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.139 0.495 . . . . 75.540000000000006 111.625 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -71.9 89.67 1.09 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.354 0.597 . . . . 75.030000000000001 111.221 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -105.09 164.03 12.12 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.408 0.623 . . . . 71.319999999999993 112.156 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -64.68 5.42 0.3 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.175 -0.92 . . . . 74.420000000000002 113.374 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.3 -7.65 0.47 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 120.745 -0.74 . . . . 74.140000000000001 113.839 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.481 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 60.9 mmm -70.75 -52.26 21.9 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.466 0.913 . . . . 73.219999999999999 113.466 -173.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 75.8 p -61.7 -30.03 70.48 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.946 -0.471 . . . . 74.120000000000005 111.63 -178.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -76.49 -47.97 21.07 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.964 0.412 . . . . 74.299999999999997 110.819 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.531 ' O ' HG21 ' B' ' 25' ' ' VAL . 9.9 pt20 -66.45 -36.08 81.88 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.347 -0.388 . . . . 71.420000000000002 111.684 -177.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' B' ' 22' ' ' ILE . 12.0 mm -63.2 -53.61 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 112.398 0.518 . . . . 71.239999999999995 112.398 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 5.1 m -68.38 -27.31 66.12 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.218 0.532 . . . . 74.349999999999994 110.021 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.74 -46.34 94.4 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-N 116.051 -0.522 . . . . 74.239999999999995 112.589 171.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.531 HG21 ' O ' ' B' ' 21' ' ' GLN . 77.2 t -57.69 -45.65 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.252 0.548 . . . . 75.0 110.677 174.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.408 HG22 HD13 ' B' ' 49' ' ' LEU . 79.8 mt -60.08 -47.32 92.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-N 115.728 -0.669 . . . . 75.099999999999994 111.921 177.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' SER . . . . . 0.5 ' HA ' HD12 ' B' ' 33' ' ' ILE . 94.2 p -62.83 -24.48 67.8 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.233 0.457 . . . . 72.010000000000005 112.233 -176.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.54 14.77 25.38 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.365 0.505 . . . . 73.200000000000003 112.365 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -68.34 165.99 17.52 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.458 0.647 . . . . 75.540000000000006 111.465 173.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -92.96 7.85 42.3 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.552 -0.749 . . . . 74.340000000000003 111.703 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 t -111.22 159.8 17.56 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.895 0.379 . . . . 74.430000000000007 111.277 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . 0.419 ' O ' HG21 ' B' ' 51' ' ' ILE . 26.2 t-20 -86.85 120.77 28.49 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.993 0.425 . . . . 71.340000000000003 111.847 -176.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' B' ' 27' ' ' SER . 67.7 mt -67.67 111.16 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 121.174 0.512 . . . . 74.439999999999998 111.537 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.486 HH12 ' CG ' ' A' ' 14' ' ' ASP . 8.1 tpp180 -92.25 -34.92 14.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.162 -0.472 . . . . 74.340000000000003 110.893 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.592 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 67.5 m -158.67 132.66 7.75 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.308 -0.406 . . . . 74.109999999999999 110.852 174.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.503 HD12 ' SG ' ' B' ' 47' ' ' CYS . 11.2 tp -130.82 136.97 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 120.926 0.393 . . . . 74.530000000000001 110.779 174.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 58.5 t -133.18 140.42 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 116.283 -0.417 . . . . 74.409999999999997 110.381 176.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 35' ' ' THR . 9.9 tt -144.85 134.43 23.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 122.156 -0.34 . . . . 73.319999999999993 110.459 174.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -148.85 135.25 19.43 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.862 0.363 . . . . 70.140000000000001 111.242 172.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -99.68 123.88 44.37 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.3 -0.409 . . . . 75.239999999999995 111.427 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -141.58 144.59 34.32 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.065 -0.516 . . . . 73.129999999999995 111.138 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 63.24 13.85 7.28 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.499 0.555 . . . . 73.0 112.499 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.44 -2.62 65.3 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 121.061 -0.59 . . . . 73.310000000000002 112.644 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mt -116.97 178.63 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 123.437 0.695 . . . . 55.539999999999999 109.225 178.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 32.4 p90 -137.44 161.37 36.52 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.854 -0.529 . . . . 74.349999999999994 111.244 170.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 t -134.85 115.01 13.16 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.023 0.44 . . . . 75.439999999999998 111.088 174.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.503 ' SG ' HD12 ' B' ' 36' ' ' ILE . 46.3 t -108.11 120.14 41.48 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.286 -0.415 . . . . 75.25 111.29 178.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -103.0 111.63 24.06 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.773 0.321 . . . . 71.120000000000005 110.974 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.408 HD13 HG22 ' B' ' 26' ' ' ILE . 44.9 tp -99.06 132.53 44.3 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.053 0.454 . . . . 75.030000000000001 111.987 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.538 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 60.4 mmm -124.13 113.23 18.08 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.237 -0.438 . . . . 55.549999999999997 110.681 175.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.496 HG21 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -144.57 158.74 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.06 0.457 . . . . 72.450000000000003 111.755 -177.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -91.54 140.28 29.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.913 0.387 . . . . 75.109999999999999 111.57 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 8.9 m -139.66 140.89 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.489 -0.323 . . . . 74.099999999999994 110.258 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.769 ' HB2' ' HZ2' ' B' ' 54' ' ' LYS . 4.7 ttmp? -71.02 -36.25 72.34 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 111.994 0.368 . . . . 75.150000000000006 111.994 178.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.468 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 40.0 m-80 -135.44 151.31 50.29 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.527 -0.306 . . . . 64.030000000000001 111.273 -177.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 64.9 p -61.08 -30.18 70.19 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.777 0.323 . . . . 74.150000000000006 111.353 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -62.01 -40.49 95.86 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.616 0.722 . . . . 72.209999999999994 110.183 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 45.3 tptt -58.04 -40.5 81.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.287 -0.869 . . . . 74.310000000000002 110.843 174.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.602 ' HG ' ' HE2' ' B' ' 63' ' ' MET . 60.4 tp -68.37 -48.13 65.58 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.13 -0.486 . . . . 74.209999999999994 111.663 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 69.5 p -62.51 -34.96 77.92 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.053 0.454 . . . . 71.340000000000003 111.269 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 72.0 m -59.53 -40.72 88.1 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.239 -0.437 . . . . 63.219999999999999 111.279 175.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.09 -41.47 96.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.702 0.287 . . . . 73.230000000000004 111.306 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.602 ' HE2' ' HG ' ' B' ' 59' ' ' LEU . 50.5 mtt -55.67 -48.33 75.24 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.191 0.52 . . . . 72.420000000000002 110.275 175.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.9 -46.26 78.43 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.628 -0.715 . . . . 71.430000000000007 111.033 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' B' ' 61' ' ' THR . 52.9 mtpt -58.24 -37.54 75.1 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.22 -0.446 . . . . 72.120000000000005 111.749 178.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.451 HD12 HD12 ' B' ' 10' ' ' ILE . 59.0 mt -76.05 -33.23 59.59 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.143 0.497 . . . . 73.340000000000003 111.785 178.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' B' ' 63' ' ' MET . 86.9 mtt180 -67.69 -8.16 32.9 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.651 0.612 . . . . 74.040000000000006 112.651 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -71.93 -13.7 61.72 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 111.808 0.299 . . . . 75.129999999999995 111.808 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.0 t -86.98 117.26 30.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-O 120.99 0.424 . . . . 72.340000000000003 111.823 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.94 -23.0 63.19 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.93 0.715 . . . . 74.329999999999998 112.93 -177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . 0.481 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -76.68 -16.95 80.33 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 120.957 -0.64 . . . . 74.439999999999998 113.695 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.42 141.85 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 117.227 0.514 . . . . 74.530000000000001 111.834 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.4 -6.96 6.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.578 0.584 . . . . 73.530000000000001 112.578 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.611 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.6 p -136.0 118.41 15.74 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.902 0.382 . . . . 71.209999999999994 111.588 175.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.0 t -135.45 105.37 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.717 -0.475 . . . . 74.340000000000003 109.717 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -142.09 171.89 13.44 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.131 0.491 . . . . 71.409999999999997 111.897 -173.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -85.31 147.32 26.6 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.383 0.611 . . . . 75.310000000000002 112.132 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.504 HD23 ' HB2' ' B' ' 9' ' ' ARG . 96.0 mt -93.19 109.81 21.32 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.857 -0.61 . . . . 75.219999999999999 110.268 173.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 83.9 p -71.82 -68.78 0.43 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.488 0.551 . . . . 72.109999999999999 112.488 -174.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -88.67 106.63 18.46 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.011 0.434 . . . . 74.310000000000002 111.486 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 51.6 mt . . . . . 0 CA--C 1.539 0.533 0 CA-C-O 121.083 0.468 . . . . 73.120000000000005 111.577 -179.519 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.2 p90 . . . . . 0 C--O 1.235 0.3 0 CA-C-O 121.382 0.61 . . . . 74.129999999999995 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -82.03 102.61 11.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.737 -0.665 . . . . 74.040000000000006 110.234 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.405 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -94.17 134.73 36.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.915 -0.584 . . . . 71.540000000000006 112.007 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.13 145.48 16.6 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.19 -0.529 . . . . 75.349999999999994 112.607 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.422 HG23 ' HG2' ' A' ' 63' ' ' MET . 27.9 mt -130.51 136.99 57.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 122.529 -0.395 . . . . 73.329999999999998 110.539 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HB2' HD22 ' A' ' 78' ' ' LEU . 66.4 ttt180 -113.86 117.98 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 72.230000000000004 110.93 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.648 HD12 HD11 ' A' ' 66' ' ' LEU . 33.5 mt -109.65 117.03 53.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.472 . . . . 62.520000000000003 110.618 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.623 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 49.3 t -117.5 105.87 18.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.717 0.77 . . . . 74.120000000000005 111.011 174.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.08 162.37 21.87 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.1 -0.955 . . . . 74.219999999999999 112.175 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -76.97 126.78 31.54 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.393 0.616 . . . . 72.319999999999993 112.062 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -69.32 105.43 2.55 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.905 -0.589 . . . . 62.32 111.561 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -165.8 137.51 3.91 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.228 0.455 . . . . 73.439999999999998 112.228 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 59.69 14.69 4.2 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.973 1.101 . . . . 65.230000000000004 113.973 171.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.613 ' HA2' ' ND2' ' B' ' 32' ' ' ASN . . . 100.32 21.79 12.65 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.453 -0.88 . . . . 51.130000000000003 113.828 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.459 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 36.8 mmm -53.9 -48.76 69.81 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.901 0.382 . . . . 75.019999999999996 112.029 176.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.1 p -54.0 -41.78 68.32 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.119 0.485 . . . . 65.129999999999995 111.829 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.44 ' OD1' ' HA ' ' B' ' 27' ' ' SER . 56.5 t30 -76.56 -42.35 43.18 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.029 -0.532 . . . . 73.120000000000005 110.963 -175.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.469 ' O ' HG21 ' A' ' 25' ' ' VAL . 8.2 pt20 -66.79 -33.86 76.55 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.885 0.374 . . . . 74.430000000000007 111.242 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 22' ' ' ILE . 7.1 mm -61.59 -53.01 54.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 112.183 0.438 . . . . 54.340000000000003 112.183 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 m -70.01 -27.56 64.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.328 0.585 . . . . 73.099999999999994 110.107 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.12 -33.78 81.11 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 115.879 -0.6 . . . . 74.019999999999996 112.546 170.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 21' ' ' GLN . 92.0 t -74.56 -35.53 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 121.012 0.435 . . . . 73.420000000000002 110.955 174.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.401 HG22 HD11 ' A' ' 33' ' ' ILE . 70.0 mt -61.41 -36.56 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 CA-C-O 120.996 0.427 . . . . 73.310000000000002 111.466 176.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.2 p -63.77 -20.6 65.89 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 122.123 -0.361 . . . . 72.409999999999997 111.651 176.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.521 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 11.5 mmpt? -71.65 -8.33 53.45 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 111.807 0.299 . . . . 75.219999999999999 111.807 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -74.83 159.97 31.26 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.737 1.014 . . . . 73.010000000000005 113.737 -172.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -85.8 -10.43 55.48 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.739 -1.119 . . . . 70.219999999999999 111.197 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 t -100.97 173.47 6.47 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.937 0.399 . . . . 75.439999999999998 111.781 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -106.1 121.48 44.24 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.789 0.328 . . . . 73.340000000000003 111.761 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.401 HD11 HG22 ' A' ' 26' ' ' ILE . 59.8 mt -68.56 105.28 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 116.32 -0.4 . . . . 75.030000000000001 111.39 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.96 -21.03 25.1 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.844 -0.535 . . . . 74.200000000000003 110.968 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 90.5 m -158.07 131.91 7.9 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.009 -0.542 . . . . 72.340000000000003 110.839 175.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.66 HD12 ' SG ' ' A' ' 47' ' ' CYS . 10.8 tp -135.02 133.83 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.945 0.402 . . . . 75.510000000000005 110.303 173.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.521 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 95.7 t -127.82 136.43 60.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 116.081 -0.509 . . . . 72.530000000000001 110.261 176.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.609 ' HB3' HG23 ' B' ' 36' ' ' ILE . 8.2 tt -143.94 122.51 12.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.845 0.355 . . . . 72.430000000000007 110.092 175.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 4.1 p-10 -144.7 124.99 13.76 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.93 -0.577 . . . . 73.510000000000005 110.931 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.42 113.25 25.85 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.15 0.5 . . . . 74.209999999999994 112.164 -177.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.458 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -138.49 157.01 47.01 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.791 -0.64 . . . . 74.319999999999993 109.459 175.312 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.415 ' OD2' ' HG2' ' A' ' 41' ' ' LYS . 21.8 m-20 65.31 14.78 9.65 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.097 0.475 . . . . 72.319999999999993 110.856 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.98 9.96 86.56 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 121.383 -0.437 . . . . 73.109999999999999 112.54 -173.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.3 mt -128.63 154.75 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 122.921 0.488 . . . . 73.510000000000005 110.447 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.458 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 49.5 p90 -119.61 144.67 47.0 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.784 -0.573 . . . . 74.140000000000001 111.352 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 t -116.08 99.62 7.37 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.038 0.447 . . . . 74.010000000000005 111.095 174.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.66 ' SG ' HD12 ' A' ' 36' ' ' ILE . 42.4 t -87.02 111.19 20.63 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.008 0.432 . . . . 73.519999999999996 111.285 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.521 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 14.5 m120 -97.8 106.97 19.36 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.094 -0.503 . . . . 72.349999999999994 111.112 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD23 HD11 ' A' ' 8' ' ' ILE . 62.3 tp -98.91 133.26 43.45 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.885 0.374 . . . . 75.040000000000006 111.776 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.536 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 66.6 mmm -123.0 112.07 17.36 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.903 0.383 . . . . 73.310000000000002 111.075 175.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.81 158.91 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 111.542 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -90.21 139.24 30.83 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.991 0.424 . . . . 73.439999999999998 111.505 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.8 m -131.82 147.27 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 120.981 0.42 . . . . 65.400000000000006 111.363 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.483 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.5 ptmt -85.21 -14.2 47.57 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.092 -0.504 . . . . 74.040000000000006 112.316 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.483 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.7 p30 -164.71 167.79 18.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.097 0.475 . . . . 74.239999999999995 111.655 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.4 p -67.33 -36.8 82.18 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.397 0.518 . . . . 75.430000000000007 112.397 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.03 -33.37 75.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.729 0.776 . . . . 74.510000000000005 110.296 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 49.7 tptt -59.47 -47.12 86.7 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.38 -0.827 . . . . 75.409999999999997 110.819 172.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 77' ' ' ARG . 54.7 tp -64.43 -47.93 77.23 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.038 -0.528 . . . . 64.349999999999994 111.693 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.7 p -61.5 -35.44 77.7 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 111.662 0.245 . . . . 74.109999999999999 111.662 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.9 m -63.24 -44.15 96.04 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.68 0.276 . . . . 72.430000000000007 111.127 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.8 mt -58.02 -46.18 85.71 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.937 0.399 . . . . 74.420000000000002 111.22 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.422 ' HG2' HG23 ' A' ' 8' ' ' ILE . 71.4 mtm -61.95 -33.54 74.47 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.387 -0.369 . . . . 74.519999999999996 111.48 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -69.1 -44.34 72.65 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.048 0.451 . . . . 75.310000000000002 110.551 174.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -54.55 -40.95 69.22 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.213 0.53 . . . . 75.040000000000006 111.327 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.648 HD11 HD12 ' A' ' 10' ' ' ILE . 59.4 mt -74.21 -33.25 63.32 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.883 -0.599 . . . . 73.299999999999997 111.535 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 67' ' ' ARG . 44.0 ttm105 -71.91 -6.44 41.94 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.966 -0.561 . . . . 71.040000000000006 111.972 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -70.82 -16.61 62.74 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 122.096 -0.377 . . . . 71.450000000000003 111.441 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.9 t -78.49 116.99 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.12 0.486 . . . . 74.010000000000005 111.47 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -57.45 -26.75 61.67 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.921 0.711 . . . . 73.430000000000007 112.921 -176.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.02 -11.35 85.27 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.864 -0.684 . . . . 72.439999999999998 113.442 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.4 t -93.14 144.11 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 O-C-N 122.199 -0.589 . . . . 75.25 111.178 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -128.43 -8.02 5.22 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 112.031 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.623 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.2 p -139.11 126.38 21.43 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.061 0.458 . . . . 73.340000000000003 111.335 173.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 t -136.32 103.47 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.945 -0.761 . . . . 73.400000000000006 108.945 171.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -124.41 154.38 40.51 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.491 0.552 . . . . 74.430000000000007 112.491 -169.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.408 ' HG3' HD22 ' A' ' 59' ' ' LEU . 52.4 ttp85 -82.14 131.76 35.24 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.773 -0.649 . . . . 75.299999999999997 111.671 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.404 HD22 ' HB2' ' A' ' 9' ' ' ARG . 98.5 mt -95.58 105.37 17.35 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.972 0.415 . . . . 74.040000000000006 111.269 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.5 p -89.97 -38.73 13.44 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.033 0.444 . . . . 74.25 110.823 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -76.69 100.77 5.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.083 -0.508 . . . . 71.5 111.244 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 121.3 0.571 . . . . 72.510000000000005 111.951 -177.033 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 120.844 0.354 . . . . 73.400000000000006 111.622 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -151.06 154.55 37.22 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.042 0.449 . . . . 74.319999999999993 111.301 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.6 tp -79.07 103.14 8.81 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.968 -0.56 . . . . 75.109999999999999 110.535 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.492 ' HB2' HD22 ' B' ' 59' ' ' LEU . . . -96.27 133.22 40.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 64.319999999999993 112.136 -176.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.46 150.48 17.63 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.198 -0.525 . . . . 75.109999999999999 113.354 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 53.8 mt -135.78 128.24 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 122.563 0.345 . . . . 74.409999999999997 110.424 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.521 ' HB2' HD23 ' B' ' 78' ' ' LEU . 66.7 ttt180 -100.78 136.95 39.83 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.894 -0.504 . . . . 74.340000000000003 111.331 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.606 HD13 HD13 ' B' ' 66' ' ' LEU . 62.7 mt -126.05 117.96 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.862 -0.608 . . . . 74.030000000000001 110.973 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.637 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 43.1 t -118.02 112.96 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 121.591 0.71 . . . . 72.409999999999997 110.919 172.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.04 165.34 25.16 Favored Glycine 0 CA--C 1.522 0.478 0 CA-C-N 115.512 -0.767 . . . . 73.209999999999994 112.553 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -67.66 126.97 31.05 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.313 0.577 . . . . 72.530000000000001 111.828 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.95 94.39 0.63 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.201 0.524 . . . . 71.329999999999998 110.983 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -118.78 175.14 5.88 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.792 1.034 . . . . 75.219999999999999 113.792 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 67.31 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 113.188 -1.823 . . . . 72.219999999999999 113.361 175.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.39 -15.28 8.68 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.029 -0.605 . . . . 71.310000000000002 114.442 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.415 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 36.8 mmm -53.94 -50.67 65.92 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 117.601 0.701 . . . . 74.549999999999997 112.737 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.9 p -58.59 -36.54 74.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.257 0.551 . . . . 74.019999999999996 111.377 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -73.67 -40.76 63.45 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.904 -0.589 . . . . 75.340000000000003 110.868 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.479 ' O ' HG23 ' B' ' 25' ' ' VAL . 9.9 pt20 -73.82 -35.58 64.86 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.1 -0.5 . . . . 74.430000000000007 111.395 -178.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.417 HG13 ' HZ ' ' B' ' 45' ' ' PHE . 12.4 mm -62.08 -54.29 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 112.256 0.465 . . . . 73.25 112.256 -177.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -67.64 -27.33 66.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.47 0.652 . . . . 73.239999999999995 110.006 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.54 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -62.07 -48.51 82.68 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.752 -0.658 . . . . 71.329999999999998 112.591 172.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 21' ' ' GLN . 90.7 t -61.05 -37.59 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.889 0.376 . . . . 63.119999999999997 111.113 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.457 HG23 HD12 ' B' ' 49' ' ' LEU . 73.3 mt -58.24 -41.63 81.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-O 121.079 0.466 . . . . 74.319999999999993 111.34 175.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' SER . . . . . 0.44 ' HA ' ' OD1' ' A' ' 20' ' ' ASN . 6.2 m -59.89 -23.89 63.84 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.33 0.586 . . . . 65.430000000000007 111.233 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 43.1 mtpt -87.23 20.62 2.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.75 -0.659 . . . . 72.439999999999998 111.641 -175.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -92.64 164.76 13.28 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.411 0.624 . . . . 72.209999999999994 111.782 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.38 -23.97 54.13 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.597 -0.729 . . . . 74.140000000000001 111.345 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.1 t -91.28 178.71 5.9 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.653 -0.703 . . . . 73.150000000000006 112.457 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . 0.613 ' ND2' ' HA2' ' A' ' 17' ' ' GLY . 28.5 t-20 -106.39 125.21 50.72 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.256 -0.429 . . . . 74.239999999999995 111.476 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.443 ' HA ' HG22 ' B' ' 51' ' ' ILE . 62.1 mt -66.89 103.73 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 116.341 -0.39 . . . . 73.129999999999995 111.382 177.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -82.35 -32.57 29.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 72.510000000000005 110.603 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.595 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 69.7 m -153.89 132.48 12.17 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.951 -0.568 . . . . 64.439999999999998 110.987 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.609 HG23 ' HB3' ' A' ' 38' ' ' LEU . 10.7 tp -135.7 137.7 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 120.996 0.427 . . . . 75.230000000000004 110.822 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.477 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 84.7 t -133.35 141.57 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.141 -0.482 . . . . 65.200000000000003 110.611 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 35' ' ' THR . 7.7 tt -145.4 131.87 19.74 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 122.109 -0.369 . . . . 72.299999999999997 110.194 174.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -149.61 148.9 29.88 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 120.838 0.351 . . . . 73.200000000000003 111.056 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.31 138.43 43.52 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.129 0.49 . . . . 73.040000000000006 110.434 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -126.9 -93.13 0.48 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.018 -0.537 . . . . 74.310000000000002 112.356 -170.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.55 44.68 0.99 Allowed 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 122.783 0.433 . . . . 72.349999999999994 111.501 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.64 18.58 77.34 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.58 -0.819 . . . . 73.439999999999998 111.422 -170.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.1 mt -135.31 147.78 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 123.642 0.777 . . . . 74.109999999999999 109.484 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 44.4 p90 -112.02 137.06 50.57 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.655 -0.418 . . . . 75.519999999999996 111.037 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.3 t -111.3 100.24 8.89 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.368 0.604 . . . . 75.120000000000005 111.341 174.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.521 ' SG ' HD13 ' B' ' 36' ' ' ILE . 48.4 t -91.11 131.34 36.74 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.077 -0.511 . . . . 74.329999999999998 111.907 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.477 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 16.2 m120 -111.7 110.73 21.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 122.495 0.318 . . . . 75.319999999999993 110.888 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.457 HD12 HG23 ' B' ' 26' ' ' ILE . 46.5 tp -99.11 137.29 37.85 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.883 0.373 . . . . 73.409999999999997 111.875 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.517 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.3 mmm -131.67 112.3 12.44 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.254 -0.43 . . . . 75.340000000000003 111.275 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.443 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -138.76 160.77 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.349 -0.387 . . . . 72.030000000000001 111.612 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -93.56 137.47 32.81 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.977 0.417 . . . . 74.420000000000002 111.912 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.9 m -131.95 163.43 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 116.178 -0.464 . . . . 73.140000000000001 110.904 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -93.29 -16.89 24.24 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 111.765 0.284 . . . . 75.129999999999995 111.765 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -161.46 172.86 15.75 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.101 0.477 . . . . 72.400000000000006 111.811 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -74.61 -30.53 61.7 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.085 -0.507 . . . . 74.319999999999993 112.331 -177.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -63.58 -39.9 95.59 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.964 0.887 . . . . 63.520000000000003 109.76 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -59.88 -35.56 75.08 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.583 -1.189 . . . . 63.32 111.423 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.589 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 57.4 tp -76.67 -47.44 22.09 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.287 -0.415 . . . . 75.099999999999994 111.653 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 73.1 p -59.48 -32.12 69.97 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.935 0.398 . . . . 74.030000000000001 111.594 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 70.2 m -64.25 -42.42 96.51 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.256 -0.429 . . . . 75.200000000000003 111.747 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 64.7 mt -62.1 -37.32 84.66 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.69 0.281 . . . . 74.129999999999995 111.109 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.589 ' HE3' ' HG ' ' B' ' 59' ' ' LEU . 56.2 mtt -55.78 -50.93 69.11 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.104 0.478 . . . . 72.109999999999999 110.632 175.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.37 -43.2 96.81 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.784 -0.644 . . . . 60.130000000000003 111.008 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -56.54 -40.7 75.54 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.082 0.468 . . . . 74.5 111.551 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.606 HD13 HD13 ' B' ' 10' ' ' ILE . 65.9 mt -74.01 -35.02 64.37 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.163 -0.471 . . . . 73.230000000000004 111.747 178.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . 0.408 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 95.2 mtt180 -68.71 -7.79 36.72 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.802 0.667 . . . . 73.510000000000005 112.802 -179.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -72.61 -13.3 61.35 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.102 -0.374 . . . . 73.420000000000002 111.467 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 40.8 t -86.44 108.54 17.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.301 0.572 . . . . 75.140000000000001 111.336 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -34.43 9.14 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.311 -0.859 . . . . 74.120000000000005 113.082 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.5 -20.52 73.77 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.134 -0.555 . . . . 74.400000000000006 113.927 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . 0.434 HG11 HG21 ' B' ' 10' ' ' ILE . 93.5 t -99.29 134.09 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 122.358 -0.495 . . . . 74.430000000000007 111.484 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -117.06 -7.62 11.3 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.709 0.633 . . . . 74.230000000000004 112.709 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.637 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 8.8 p -136.31 121.46 19.03 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.95 0.405 . . . . 64.349999999999994 111.572 175.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.408 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 43.6 t -135.39 104.64 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.558 -0.534 . . . . 72.530000000000001 109.558 171.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -128.71 168.82 15.26 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.179 0.514 . . . . 70.040000000000006 112.328 -170.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -86.71 139.57 30.63 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.042 -0.526 . . . . 74.219999999999999 112.315 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' B' ' 9' ' ' ARG . 96.2 mt -108.47 96.64 6.49 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.071 -0.513 . . . . 73.019999999999996 110.788 174.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 71.6 m -96.85 -22.01 17.16 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.005 0.431 . . . . 64.430000000000007 111.41 175.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -86.13 81.99 8.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.066 0.46 . . . . 74.310000000000002 110.286 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 112.733 0.642 . . . . 72.409999999999997 112.733 -172.563 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.7 p90 . . . . . 0 N--CA 1.468 0.434 0 CA-C-O 120.832 0.349 . . . . 74.530000000000001 111.074 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.65 105.64 12.05 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.25 0.548 . . . . 74.340000000000003 110.713 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.56 149.44 24.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.817 -0.629 . . . . 65.340000000000003 111.898 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.42 148.07 16.73 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.334 -0.46 . . . . 75.219999999999999 113.117 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.3 mt -134.36 139.64 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.687 0.395 . . . . 71.150000000000006 110.422 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.444 ' HB3' ' HG3' ' A' ' 76' ' ' GLU . 35.3 ttm180 -117.42 120.9 39.56 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.278 0.561 . . . . 74.120000000000005 111.351 177.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.568 HD11 HD13 ' A' ' 66' ' ' LEU . 53.1 mt -110.77 118.9 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.605 -0.725 . . . . 75.230000000000004 111.588 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.593 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 74.8 t -125.17 121.23 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.458 0.647 . . . . 74.5 111.102 174.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.44 168.18 29.1 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 115.655 -0.702 . . . . 74.109999999999999 112.521 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.39 129.93 41.82 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.251 0.548 . . . . 72.430000000000007 111.37 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -74.62 103.15 4.81 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.161 -0.472 . . . . 74.200000000000003 111.516 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.506 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 10.1 mmmm -112.78 -177.89 3.26 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.971 0.891 . . . . 75.030000000000001 112.616 -177.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.412 ' O ' ' ND2' ' B' ' 32' ' ' ASN . 37.4 m-80 -50.14 -27.93 6.57 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.269 -1.332 . . . . 74.349999999999994 114.019 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.33 23.61 0.86 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 119.97 -1.11 . . . . 64.409999999999997 114.822 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.506 ' HG2' ' HB2' ' A' ' 15' ' ' LYS . 74.4 mmm -70.07 -51.34 32.72 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 117.715 0.757 . . . . 74.409999999999997 112.191 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.0 p -57.86 -37.24 73.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.938 0.399 . . . . 73.120000000000005 111.812 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -76.38 -46.86 25.44 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.241 -0.436 . . . . 75.209999999999994 110.743 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.484 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.1 pt20 -65.03 -36.14 83.42 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.708 0.29 . . . . 74.5 111.633 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.441 HD11 ' HA ' ' A' ' 22' ' ' ILE . 10.8 mm -64.48 -53.56 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.043 0.386 . . . . 73.120000000000005 112.043 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.8 m -68.99 -27.7 65.94 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.094 0.473 . . . . 71.030000000000001 110.39 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.02 -49.32 68.03 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 116.206 -0.452 . . . . 75.310000000000002 112.339 173.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 21' ' ' GLN . 77.1 t -56.8 -39.35 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.208 0.528 . . . . 74.010000000000005 110.682 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.456 HG22 HD13 ' A' ' 49' ' ' LEU . 73.4 mt -63.49 -46.21 95.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 115.905 -0.589 . . . . 73.310000000000002 111.705 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.0 p -65.86 -22.42 66.53 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 111.984 0.364 . . . . 72.219999999999999 111.984 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -97.4 24.02 6.98 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.909 0.385 . . . . 73.439999999999998 111.338 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -78.49 -174.58 3.88 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.494 0.664 . . . . 74.439999999999998 111.351 171.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -91.44 -40.83 11.2 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.368 -0.833 . . . . 72.25 111.727 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 t -76.85 173.45 11.7 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.029 -0.532 . . . . 63.119999999999997 112.332 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.516 ' OD1' ' HB2' ' B' ' 20' ' ' ASN . 62.0 t30 -110.13 142.52 41.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.136 0.493 . . . . 74.519999999999996 111.631 -176.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -75.08 115.48 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.775 -0.648 . . . . 74.219999999999999 112.199 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 12.4 mmt180 -92.04 -33.14 14.93 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.149 0.5 . . . . 75.5 110.885 174.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 12.3 m -157.39 144.48 18.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.938 -0.573 . . . . 75.319999999999993 109.937 175.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 17.8 tt -152.41 131.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.942 0.401 . . . . 74.010000000000005 111.08 171.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.543 HG23 HG13 ' B' ' 37' ' ' VAL . 93.7 t -131.06 106.18 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.128 -0.487 . . . . 73.230000000000004 111.197 -176.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.56 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.3 tt -118.64 121.81 41.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.59 -0.277 . . . . 71.409999999999997 110.973 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.01 141.85 31.45 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 120.874 0.368 . . . . 72.019999999999996 111.344 173.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.569 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -109.88 129.37 55.66 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.4 0.519 . . . . 75.049999999999997 112.4 -176.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.38 162.21 40.86 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.797 -0.638 . . . . 74.319999999999993 110.268 178.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 63.53 15.58 8.94 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.689 0.396 . . . . 60.549999999999997 111.695 -177.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.36 4.27 90.24 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.007 -0.615 . . . . 73.450000000000003 112.276 -174.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.44 170.68 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 109.538 -0.542 . . . . 75.219999999999999 109.538 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 21.4 p90 -131.94 150.74 52.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.1 -0.375 . . . . 75.549999999999997 110.676 172.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 3.8 t -132.71 121.53 23.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 74.420000000000002 111.251 176.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.8 t -119.8 119.76 34.53 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.107 -0.497 . . . . 74.519999999999996 111.48 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.424 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.9 m-20 -98.37 115.27 28.11 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 120.77 0.319 . . . . 61.240000000000002 110.848 176.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.456 HD13 HG22 ' A' ' 26' ' ' ILE . 50.1 tp -98.73 128.79 45.1 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.436 -0.347 . . . . 72.299999999999997 111.423 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.43 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 70.5 mmm -120.44 110.27 16.3 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.393 -0.367 . . . . 74.120000000000005 110.996 178.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 32' ' ' ASN . 2.3 pp -143.0 162.19 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 116.177 -0.465 . . . . 75.329999999999998 111.789 -175.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -90.79 136.94 32.74 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.747 0.308 . . . . 74.439999999999998 111.479 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 m -129.58 142.72 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 120.867 0.365 . . . . 70.450000000000003 111.533 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.613 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 18.5 ptpt -68.75 -20.84 64.39 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.632 0.604 . . . . 73.450000000000003 112.632 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.613 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.0 p30 -166.19 168.48 15.25 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.1 0.476 . . . . 75.230000000000004 111.907 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.2 p -63.61 -32.26 73.68 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.207 -0.451 . . . . 72.150000000000006 112.061 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HB3' ' OD1' ' A' ' 55' ' ' ASN . 21.4 t70 -65.04 -40.97 95.59 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.499 0.666 . . . . 71.549999999999997 109.806 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -60.02 -30.99 69.53 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.351 -0.84 . . . . 74.0 111.348 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.6 tp -76.47 -48.62 18.96 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.347 -0.388 . . . . 74.040000000000006 111.811 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.45 ' HA ' ' HG3' ' A' ' 63' ' ' MET . 5.1 t -68.3 -28.58 67.3 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.979 0.419 . . . . 64.310000000000002 111.65 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.8 m -59.0 -40.74 85.83 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.915 0.388 . . . . 74.519999999999996 110.997 172.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.79 -34.98 78.39 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.336 -0.227 . . . . 75.319999999999993 111.245 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.45 ' HG3' ' HA ' ' A' ' 60' ' ' THR . 50.7 mtt -54.25 -51.78 63.43 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.955 0.407 . . . . 73.120000000000005 110.3 175.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 33.1 t70 -52.29 -51.8 56.51 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.9 -0.591 . . . . 62.200000000000003 111.474 178.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -53.43 -37.32 62.46 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.757 -0.656 . . . . 74.319999999999993 111.82 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.568 HD13 HD11 ' A' ' 10' ' ' ILE . 52.4 mt -81.71 -28.38 33.47 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.049 0.452 . . . . 74.209999999999994 111.676 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 63' ' ' MET . 92.1 mtt180 -75.38 -7.47 54.12 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.419 -0.355 . . . . 75.230000000000004 111.752 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.676 ' HZ1' ' HB3' ' A' ' 68' ' ' LYS . 2.3 mmmp? -72.28 -8.13 53.19 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.81 0.338 . . . . 73.349999999999994 111.734 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.5 t -92.25 114.94 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 121.145 0.498 . . . . 74.310000000000002 111.393 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -56.0 -23.23 31.55 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.958 0.725 . . . . 75.329999999999998 112.958 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.88 -17.01 73.65 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 120.893 -0.67 . . . . 64.530000000000001 113.921 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.442 HG22 ' HE3' ' A' ' 18' ' ' MET . 57.9 t -96.33 126.3 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 117.674 0.737 . . . . 73.430000000000007 111.772 -178.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.27 -12.61 15.04 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.56 0.578 . . . . 72.400000000000006 112.56 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.593 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.8 p -131.72 117.94 19.29 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.324 0.583 . . . . 72.519999999999996 111.75 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.9 t -130.27 104.87 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.143 -0.688 . . . . 64.140000000000001 109.143 169.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.444 ' HG3' ' HB3' ' A' ' 9' ' ' ARG . 8.2 pt-20 -130.14 162.0 29.83 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.795 0.665 . . . . 72.349999999999994 112.795 -167.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -91.63 130.48 37.43 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.674 -0.693 . . . . 72.420000000000002 112.048 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.6 mt -96.15 107.66 20.01 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.266 -0.425 . . . . 74.310000000000002 111.332 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.6 t -87.69 -47.74 8.42 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.006 0.432 . . . . 64.340000000000003 110.785 176.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -75.34 124.96 28.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.42 -0.355 . . . . 73.319999999999993 110.244 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.1 mt . . . . . 0 CA--C 1.532 0.26 0 CA-C-O 121.069 0.462 . . . . 74.540000000000006 110.775 -173.075 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 CA--C 1.544 0.746 0 CA-C-O 121.223 0.535 . . . . 73.209999999999994 112.264 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -154.75 163.68 39.9 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.35 -0.386 . . . . 73.030000000000001 111.081 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -86.09 108.48 18.3 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.913 0.387 . . . . 72.310000000000002 111.299 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.4 146.16 25.46 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.175 -0.466 . . . . 61.420000000000002 111.83 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.47 142.94 14.4 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 121.225 -0.512 . . . . 71.030000000000001 113.208 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mt -132.5 146.45 32.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 122.814 0.446 . . . . 74.140000000000001 110.458 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -126.83 130.68 50.72 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.177 -0.327 . . . . 73.129999999999995 110.877 173.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.561 ' O ' ' HA ' ' B' ' 46' ' ' THR . 25.9 mt -118.07 116.63 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 116.364 -0.38 . . . . 75.530000000000001 111.464 -177.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.598 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 87.0 t -117.43 113.43 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.637 0.732 . . . . 65.319999999999993 111.133 175.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.64 169.68 23.71 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 115.378 -0.828 . . . . 45.43 112.176 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -66.68 137.12 56.46 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.334 0.588 . . . . 63.210000000000001 111.824 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -74.09 93.4 2.27 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 110.749 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.61 ' HB2' ' HG3' ' B' ' 18' ' ' MET . 8.6 mmmm -97.1 -177.84 3.99 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.513 0.931 . . . . 74.109999999999999 113.513 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -31.37 -44.78 0.07 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 113.556 -1.656 . . . . 73.140000000000001 113.146 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.56 28.54 0.29 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 121.028 -0.606 . . . . 71.450000000000003 113.279 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.61 ' HG3' ' HB2' ' B' ' 15' ' ' LYS . 38.7 mtp -61.61 -43.98 97.84 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.396 -0.473 . . . . 71.349999999999994 112.249 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 47.2 p -55.64 -39.02 70.31 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.976 0.417 . . . . 73.219999999999999 111.896 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.516 ' HB2' ' OD1' ' A' ' 32' ' ' ASN . 36.0 t-20 -75.4 -47.06 29.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.934 0.397 . . . . 72.109999999999999 111.194 -178.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.538 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 8.5 pt20 -64.52 -38.72 92.0 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.576 -0.284 . . . . 75.140000000000001 111.391 -178.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.426 HD11 ' HA ' ' B' ' 22' ' ' ILE . 9.2 mm -56.89 -53.51 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.722 0.296 . . . . 65.140000000000001 111.704 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 9.4 m -72.26 -28.08 62.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.424 0.63 . . . . 65.230000000000004 110.428 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.27 -35.8 92.56 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 115.878 -0.601 . . . . 72.319999999999993 113.128 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.17 -35.63 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 122.397 -0.472 . . . . 74.150000000000006 111.039 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.461 HG23 HD11 ' B' ' 49' ' ' LEU . 62.3 mt -56.12 -42.72 73.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.906 0.384 . . . . 73.310000000000002 111.508 175.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 91.8 p -61.53 -21.11 63.97 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.882 0.372 . . . . 71.319999999999993 111.431 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -87.63 9.34 21.65 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.252 0.464 . . . . 75.409999999999997 112.252 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -78.4 174.99 10.7 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.644 0.735 . . . . 64.450000000000003 112.145 178.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.45 13.99 22.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.412 -0.813 . . . . 64.239999999999995 111.097 -177.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.475 HG22 HD11 ' B' ' 51' ' ' ILE . 4.6 t -135.24 169.42 17.5 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.966 0.413 . . . . 70.549999999999997 112.01 -174.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 16' ' ' ASN . 22.3 m120 -97.4 120.01 36.99 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.561 0.578 . . . . 75.230000000000004 112.561 -174.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 59.8 mt -63.51 95.98 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 115.88 -0.6 . . . . 74.329999999999998 111.359 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -77.5 -28.23 52.08 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.228 0.537 . . . . 75.349999999999994 111.306 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.522 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 69.3 m -156.43 132.16 9.6 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.859 -0.61 . . . . 73.230000000000004 110.447 175.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.756 HD13 ' SG ' ' B' ' 47' ' ' CYS . 10.6 tp -135.33 120.87 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 120.9 0.381 . . . . 75.540000000000006 110.321 175.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.543 HG13 HG23 ' A' ' 37' ' ' VAL . 67.7 t -127.9 103.29 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.063 0.459 . . . . 74.019999999999996 111.221 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 35' ' ' THR . 8.2 tt -110.8 119.44 39.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.462 -0.336 . . . . 74.420000000000002 110.149 177.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -123.22 128.14 49.59 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.094 0.473 . . . . 74.319999999999993 110.539 172.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -104.48 117.62 34.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 63.409999999999997 110.932 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.21 136.53 43.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.032 0.444 . . . . 72.230000000000004 111.343 -177.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 t70 38.63 69.54 0.26 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.23 1.012 . . . . 75.349999999999994 113.365 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.32 -4.7 24.64 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.048 0.779 . . . . 64.209999999999994 115.048 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.03 169.3 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 118.065 0.932 . . . . 62.450000000000003 111.002 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.54 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 45.0 p90 -140.06 163.08 33.65 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.794 0.33 . . . . 75.420000000000002 111.087 173.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.561 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.7 t -137.23 117.14 13.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.932 0.396 . . . . 73.319999999999993 111.136 171.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.756 ' SG ' HD13 ' B' ' 36' ' ' ILE . 43.4 t -100.83 113.24 25.99 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.035 -0.53 . . . . 63.240000000000002 111.036 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -97.6 107.63 20.17 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.383 -0.371 . . . . 75.219999999999999 111.135 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.461 HD11 HG23 ' B' ' 26' ' ' ILE . 52.5 tp -98.67 133.1 43.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.994 0.425 . . . . 71.200000000000003 112.042 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.522 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.4 mmm -125.73 111.41 14.89 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.425 -0.352 . . . . 65.340000000000003 110.975 175.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.475 HD11 HG22 ' B' ' 31' ' ' THR . 2.6 pp -140.34 159.09 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 120.832 0.349 . . . . 74.549999999999997 111.793 -176.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -90.2 137.57 32.24 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.881 0.372 . . . . 70.329999999999998 111.567 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 11.8 m -131.32 148.44 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 116.134 -0.484 . . . . 72.519999999999996 111.015 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.408 ' H ' ' HD2' ' B' ' 54' ' ' LYS . 0.0 OUTLIER -80.51 -23.18 40.26 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.439 0.638 . . . . 71.299999999999997 110.559 177.576 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -154.17 164.09 39.07 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.417 -0.81 . . . . 72.099999999999994 111.305 -173.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -72.55 -28.34 62.77 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.057 0.392 . . . . 73.219999999999999 112.057 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.48 -42.27 82.3 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.159 0.504 . . . . 64.239999999999995 110.764 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.31 -50.8 70.4 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.977 -0.556 . . . . 70.230000000000004 110.714 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 49.6 tp -58.94 -46.85 87.0 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.94 -0.573 . . . . 74.439999999999998 111.643 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 51.2 p -66.68 -27.63 67.81 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.127 0.417 . . . . 74.299999999999997 112.127 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 88.3 m -73.16 -41.4 63.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.873 0.368 . . . . 73.109999999999999 110.861 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 86.5 mt -58.28 -36.56 73.49 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.848 0.356 . . . . 72.409999999999997 111.333 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.456 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 65.6 mtt -52.29 -53.67 41.2 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.189 -0.46 . . . . 73.109999999999999 110.86 175.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -54.99 -51.85 64.93 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.142 -0.481 . . . . 70.129999999999995 110.989 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -51.74 -34.42 39.07 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.164 -0.471 . . . . 72.129999999999995 111.761 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.497 HD11 HD12 ' B' ' 10' ' ' ILE . 44.2 mt -82.84 -30.0 29.01 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.133 0.492 . . . . 74.049999999999997 111.644 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' B' ' 63' ' ' MET . 97.1 mtt180 -76.45 -7.06 54.3 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.411 0.523 . . . . 74.040000000000006 112.411 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -70.48 -19.22 62.96 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.757 0.313 . . . . 75.209999999999994 110.84 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.7 t -81.92 107.77 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-O 120.95 0.405 . . . . 72.140000000000001 110.11 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -63.29 -13.21 35.9 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.558 0.577 . . . . 70.519999999999996 112.558 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.99 -22.83 70.58 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.361 -0.447 . . . . 32.310000000000002 113.373 175.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -86.34 137.85 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 122.328 -0.513 . . . . 70.349999999999994 110.93 177.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.5 -20.54 11.24 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.477 0.547 . . . . 75.319999999999993 112.477 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.598 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.8 p -129.76 124.25 32.99 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.175 0.512 . . . . 74.450000000000003 112.021 178.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.429 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 47.9 t -135.35 104.26 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 109.138 -0.69 . . . . 72.129999999999995 109.138 171.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -123.27 164.52 18.61 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.935 0.717 . . . . 75.209999999999994 112.935 -168.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -94.53 126.32 39.74 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.696 -0.684 . . . . 62.530000000000001 111.24 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.29 115.37 22.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.818 0.342 . . . . 74.310000000000002 111.283 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 43.3 t -86.1 -62.99 1.39 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.024 0.44 . . . . 65.349999999999994 111.396 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -73.82 105.9 5.31 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.947 0.403 . . . . 75.540000000000006 110.594 177.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 49.8 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.295 0.569 . . . . 73.409999999999997 112.025 -176.656 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 C--O 1.236 0.378 0 CA-C-O 121.156 0.503 . . . . 73.510000000000005 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 tp -79.99 105.18 11.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.445 0.64 . . . . 74.25 110.806 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.464 ' HB3' HD12 ' A' ' 59' ' ' LEU . . . -93.88 129.95 40.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.504 -0.771 . . . . 72.439999999999998 111.898 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.16 149.3 17.89 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 121.289 -0.481 . . . . 50.420000000000002 112.725 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.608 HD12 HD23 ' A' ' 49' ' ' LEU . 38.2 mt -134.3 137.93 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.853 0.326 . . . . 63.329999999999998 111.164 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.462 ' HB2' HD23 ' A' ' 78' ' ' LEU . 33.0 ttt180 -114.14 122.68 47.58 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.713 -0.221 . . . . 74.019999999999996 110.899 176.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.642 HD13 HD13 ' A' ' 66' ' ' LEU . 24.4 mt -118.46 116.85 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 116.682 -0.235 . . . . 72.200000000000003 111.114 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.532 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 87.9 t -119.15 118.1 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 121.518 0.675 . . . . 75.299999999999997 111.668 176.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.26 165.61 25.97 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 115.488 -0.778 . . . . 70.120000000000005 112.203 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -71.68 138.79 48.86 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 121.206 0.527 . . . . 75.200000000000003 112.362 -177.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.1 90.26 0.09 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.121 -0.49 . . . . 64.329999999999998 111.872 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.624 ' HB2' ' HG3' ' A' ' 18' ' ' MET . 10.5 mmmm -96.53 -177.52 3.96 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.712 0.768 . . . . 75.420000000000002 112.14 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -42.82 -29.49 0.32 Allowed 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.387 1.254 . . . . 74.299999999999997 114.387 178.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.12 42.28 0.16 Allowed Glycine 0 CA--C 1.529 0.962 0 C-N-CA 120.198 -1.001 . . . . 71.109999999999999 114.341 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.624 ' HG3' ' HB2' ' A' ' 15' ' ' LYS . 45.5 mtp -68.62 -37.29 79.64 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.928 -0.748 . . . . 73.209999999999994 112.401 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 p -60.81 -35.93 77.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.778 0.323 . . . . 70.439999999999998 111.328 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -69.02 -48.73 62.26 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.139 0.495 . . . . 75.219999999999999 110.72 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.8 pt20 -66.03 -36.26 82.76 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.074 -0.512 . . . . 72.409999999999997 111.552 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.449 ' HA ' HD13 ' A' ' 22' ' ' ILE . 11.4 mm -63.07 -52.96 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 111.703 0.26 . . . . 74.099999999999994 111.703 -178.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.5 m -71.4 -27.03 63.03 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.157 0.503 . . . . 75.25 110.205 176.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.99 -44.35 97.29 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-N 116.117 -0.492 . . . . 74.230000000000004 112.568 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 21' ' ' GLN . 88.7 t -62.86 -34.62 67.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 122.24 -0.565 . . . . 74.310000000000002 110.445 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.43 HG21 HD11 ' A' ' 33' ' ' ILE . 73.7 mt -65.93 -39.04 83.5 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.084 -0.507 . . . . 73.420000000000002 111.49 175.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.6 p -68.79 -20.56 64.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.269 0.557 . . . . 75.140000000000001 110.74 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HD2' ' HA ' ' A' ' 25' ' ' VAL . 62.7 mttm -73.58 -16.66 61.24 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.993 -0.548 . . . . 70.150000000000006 111.796 174.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -66.06 147.85 52.71 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.388 0.613 . . . . 71.010000000000005 112.269 -178.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -72.48 -22.88 60.99 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.728 -0.669 . . . . 73.530000000000001 111.361 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.9 t -83.16 161.36 21.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.357 -0.383 . . . . 73.340000000000003 110.769 175.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.585 ' HA ' HD21 ' B' ' 20' ' ' ASN . 2.7 m120 -106.97 137.25 45.39 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.377 0.608 . . . . 72.239999999999995 112.44 -178.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.43 HD11 HG21 ' A' ' 26' ' ' ILE . 3.0 mp -61.7 109.26 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.203 -0.908 . . . . 75.549999999999997 111.502 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -82.6 -37.75 24.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.613 0.72 . . . . 75.129999999999995 109.904 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 13.3 m -155.49 145.34 21.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.159 -0.928 . . . . 73.530000000000001 109.417 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -154.13 133.62 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.199 0.523 . . . . 65.010000000000005 111.996 174.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.436 HG13 HG22 ' B' ' 37' ' ' VAL . 60.4 t -132.87 104.58 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.904 -0.589 . . . . 73.450000000000003 111.022 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.628 ' HB3' HG21 ' B' ' 36' ' ' ILE . 6.5 tt -105.36 116.59 32.2 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.209 -0.663 . . . . 74.430000000000007 109.209 175.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.18 125.38 31.06 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.234 0.54 . . . . 73.150000000000006 111.562 177.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.31 135.51 41.64 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.714 -0.675 . . . . 74.140000000000001 111.845 -178.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.613 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -113.59 -137.08 0.37 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.626 -0.715 . . . . 75.140000000000001 110.814 -178.699 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.48 87.0 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.6 0.593 . . . . 75.25 112.6 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.93 2.82 48.59 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 114.754 0.662 . . . . 53.25 114.754 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.574 ' HB ' ' HE3' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -136.87 161.01 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 117.535 0.668 . . . . 75.420000000000002 110.617 179.11 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 42.3 p90 -131.61 150.97 51.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.719 0.295 . . . . 75.319999999999993 111.205 176.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 3.2 t -124.17 113.65 18.61 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.041 0.448 . . . . 73.430000000000007 110.54 172.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.4 t -93.5 105.24 17.32 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.103 -0.499 . . . . 45.200000000000003 111.285 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -89.11 105.27 17.68 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.556 -0.293 . . . . 72.400000000000006 110.858 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.608 HD23 HD12 ' A' ' 8' ' ' ILE . 55.6 tp -99.04 134.37 41.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.767 0.318 . . . . 75.319999999999993 111.841 -179.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.549 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 67.5 mmm -127.08 112.92 15.75 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.781 0.324 . . . . 74.010000000000005 111.318 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.452 HG21 ' O ' ' A' ' 32' ' ' ASN . 2.5 pp -141.88 161.72 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-N 116.421 -0.354 . . . . 73.200000000000003 111.427 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -95.56 133.42 39.61 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.127 0.489 . . . . 73.319999999999993 112.036 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.6 m -131.3 142.98 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 116.081 -0.508 . . . . 74.030000000000001 111.006 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.502 ' HD3' ' H ' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -86.41 -12.24 49.71 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.759 0.314 . . . . 74.010000000000005 111.84 174.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.497 ' HB2' ' HB3' ' A' ' 58' ' ' LYS . 11.9 m120 -133.14 140.94 47.88 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 122.02 -0.425 . . . . 61.340000000000003 111.684 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.8 p -64.13 -39.13 93.37 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.469 0.652 . . . . 75.25 110.399 171.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.71 -41.73 95.8 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.33 -0.85 . . . . 74.540000000000006 110.484 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 55' ' ' ASN . 40.5 tptt -57.34 -33.15 67.45 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.271 -0.877 . . . . 75.019999999999996 111.322 175.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 6' ' ' ALA . 40.4 tp -72.7 -47.82 43.97 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 120.699 0.285 . . . . 72.329999999999998 111.694 175.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -58.53 -32.98 69.37 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.734 0.302 . . . . 64.049999999999997 110.963 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.545 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 91.6 m -56.04 -45.56 79.16 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.212 -0.449 . . . . 72.230000000000004 111.248 175.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.37 -48.39 78.11 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.384 -0.371 . . . . 74.219999999999999 111.594 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.499 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 75.9 mtm -57.83 -39.16 76.99 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.757 0.313 . . . . 73.340000000000003 111.115 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.45 -45.95 90.13 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.963 0.411 . . . . 65.239999999999995 110.929 174.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 61' ' ' THR . 29.8 mtpp -57.43 -36.86 71.9 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.082 -0.508 . . . . 73.420000000000002 111.498 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.642 HD13 HD13 ' A' ' 10' ' ' ILE . 42.4 mt -77.22 -27.96 53.59 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.161 -0.472 . . . . 71.450000000000003 111.9 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 63' ' ' MET . 98.4 mtt180 -71.47 -7.28 46.41 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.277 0.473 . . . . 70.299999999999997 112.277 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -72.69 -10.06 59.35 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 111.868 0.322 . . . . 75.310000000000002 111.868 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.2 t -85.52 113.53 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.174 0.511 . . . . 74.230000000000004 111.735 -177.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -54.97 -30.57 59.42 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.084 0.772 . . . . 74.430000000000007 113.084 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.27 -17.27 79.64 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.103 -0.57 . . . . 73.299999999999997 113.989 -177.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 99.6 t -86.58 146.7 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 117.294 0.547 . . . . 70.120000000000005 111.304 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -125.57 -15.38 6.09 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.613 0.598 . . . . 74.519999999999996 112.613 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.532 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 2.9 p -130.97 122.98 27.84 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.12 0.486 . . . . 60.240000000000002 111.618 175.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.0 t -137.18 104.91 3.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 109.453 -0.573 . . . . 75.310000000000002 109.453 172.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -134.87 163.35 30.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.202 -0.454 . . . . 63.049999999999997 111.862 -171.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -85.01 145.0 27.92 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.329 0.585 . . . . 74.030000000000001 112.22 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.462 HD23 ' HB2' ' A' ' 9' ' ' ARG . 93.6 mt -100.54 111.53 23.79 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.923 -0.581 . . . . 75.540000000000006 110.537 172.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.6 p -92.81 -58.76 2.24 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.051 0.453 . . . . 63.399999999999999 111.86 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -69.73 100.66 1.53 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.287 0.565 . . . . 74.400000000000006 111.908 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.6 mt . . . . . 0 CA--C 1.539 0.55 0 CA-C-N 116.069 -0.514 . . . . 74.430000000000007 111.571 -178.71 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.492 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 2.1 p-10 . . . . . 0 CA--C 1.541 0.626 0 CA-C-O 121.124 0.488 . . . . 72.150000000000006 112.043 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -131.4 158.63 40.26 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.194 -0.457 . . . . 73.030000000000001 110.608 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 50.5 tp -77.55 105.14 8.51 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.216 0.531 . . . . 75.219999999999999 111.067 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.17 133.28 47.29 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.069 -0.514 . . . . 72.5 111.831 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.02 144.26 15.86 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.018 -0.61 . . . . 61.140000000000001 113.095 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.48 HD11 HD22 ' B' ' 49' ' ' LEU . 37.3 mt -125.93 142.01 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 122.451 0.3 . . . . 74.439999999999998 110.401 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.47 ' HB3' ' HG3' ' B' ' 76' ' ' GLU . 0.0 OUTLIER -120.64 118.24 29.63 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.907 0.384 . . . . 75.340000000000003 110.252 -177.163 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' B' ' 46' ' ' THR . 40.3 mt -115.65 117.61 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 116.344 -0.389 . . . . 72.420000000000002 111.544 -176.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.541 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 53.6 t -117.55 109.89 29.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.453 0.644 . . . . 74.400000000000006 110.605 172.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.86 161.58 23.78 Favored Glycine 0 CA--C 1.522 0.49 0 CA-C-N 115.575 -0.738 . . . . 51.450000000000003 112.258 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -69.68 143.3 53.2 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.391 0.615 . . . . 74.430000000000007 112.205 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.35 91.02 0.53 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.952 -0.567 . . . . 74.030000000000001 111.435 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.522 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 23.8 mmtm -89.69 -178.94 5.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.607 0.718 . . . . 74.030000000000001 111.957 170.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -66.79 -21.29 66.05 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.953 -1.021 . . . . 74.349999999999994 112.288 178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.441 ' HA2' ' ND2' ' A' ' 32' ' ' ASN . . . -151.86 26.42 0.92 Allowed Glycine 0 CA--C 1.529 0.943 0 C-N-CA 120.559 -0.829 . . . . 60.43 114.28 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.522 ' HG2' ' HB2' ' B' ' 15' ' ' LYS . 38.7 mmm -74.33 -50.19 19.82 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.942 -0.74 . . . . 74.340000000000003 112.267 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.0 p -55.2 -39.7 69.93 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.941 0.401 . . . . 73.420000000000002 111.777 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.585 HD21 ' HA ' ' A' ' 32' ' ' ASN . 9.8 t-20 -76.04 -44.81 37.43 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.883 0.373 . . . . 73.25 110.957 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.448 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 7.9 pt20 -65.77 -34.63 78.61 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.681 0.277 . . . . 64.420000000000002 111.66 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' B' ' 22' ' ' ILE . 9.4 mm -64.96 -53.56 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 111.916 0.339 . . . . 71.340000000000003 111.916 -178.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.6 m -70.88 -27.3 63.72 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.099 0.476 . . . . 64.219999999999999 110.418 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.41 -52.46 53.07 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 116.071 -0.513 . . . . 75.030000000000001 112.303 171.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 50.1 t -56.38 -40.47 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.041 0.448 . . . . 64.420000000000002 110.967 174.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.53 -46.36 93.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 115.997 -0.547 . . . . 72.230000000000004 112.193 177.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 89.7 p -63.01 -22.26 66.73 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 120.911 0.386 . . . . 70.230000000000004 111.544 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.745 ' HB3' ' HZ3' ' B' ' 28' ' ' LYS . 7.6 mtpm? -73.32 -13.8 61.18 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.279 0.474 . . . . 75.239999999999995 112.279 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -66.47 154.78 39.36 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.599 0.714 . . . . 75.230000000000004 112.741 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.461 ' CG ' ' HZ1' ' B' ' 58' ' ' LYS . 4.2 p-10 -67.65 -37.12 81.97 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.101 -0.954 . . . . 74.430000000000007 111.733 176.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.5 t -74.77 151.14 39.15 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.966 -0.561 . . . . 70.209999999999994 111.79 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -83.22 123.49 29.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.836 0.35 . . . . 73.549999999999997 110.97 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.478 ' HA ' HG21 ' B' ' 51' ' ' ILE . 67.2 mt -66.15 95.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.088 0.47 . . . . 75.219999999999999 111.099 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.57 -31.76 65.49 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.974 0.416 . . . . 75.540000000000006 110.747 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.575 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 53.4 m -159.83 139.06 11.03 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.051 -0.522 . . . . 64.329999999999998 110.964 175.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.628 HG21 ' HB3' ' A' ' 38' ' ' LEU . 10.6 tp -138.19 131.75 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 120.735 0.302 . . . . 53.229999999999997 110.51 174.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.436 HG22 HG13 ' A' ' 37' ' ' VAL . 94.2 t -131.27 108.5 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-O 120.762 0.315 . . . . 74.519999999999996 111.455 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tt -114.42 116.18 28.48 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.812 0.339 . . . . 75.040000000000006 110.305 177.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 5.0 p-10 -135.02 128.37 32.21 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.041 0.448 . . . . 74.319999999999993 111.467 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -108.86 134.95 50.86 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.105 0.479 . . . . 72.219999999999999 111.897 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.39 152.92 33.76 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.013 -0.54 . . . . 74.230000000000004 110.677 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 57.8 20.66 6.72 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.948 0.722 . . . . 64.150000000000006 112.948 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.83 11.12 65.99 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 120.947 -0.644 . . . . 63.130000000000003 113.394 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mt -134.63 158.5 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 122.716 0.406 . . . . 74.319999999999993 110.163 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.517 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 39.4 p90 -128.5 143.01 50.91 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.888 -0.507 . . . . 72.310000000000002 111.213 178.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.548 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.1 t -118.84 99.94 7.07 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.315 0.579 . . . . 71.510000000000005 111.431 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' B' ' 36' ' ' ILE . 44.2 t -95.18 119.18 33.24 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.31 -0.404 . . . . 71.519999999999996 111.28 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.462 ' O ' HD11 ' B' ' 36' ' ' ILE . 52.1 m-20 -103.23 116.34 32.28 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.679 0.276 . . . . 72.099999999999994 110.808 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.48 HD22 HD11 ' B' ' 8' ' ' ILE . 42.6 tp -98.83 125.65 44.26 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.062 0.458 . . . . 65.420000000000002 111.675 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.521 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 58.8 mmm -117.15 107.36 14.38 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.305 -0.407 . . . . 73.310000000000002 111.038 178.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.478 HG21 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -140.03 177.03 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.235 -0.439 . . . . 74.439999999999998 111.829 -176.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -108.52 129.65 55.29 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.084 0.469 . . . . 75.409999999999997 111.863 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 15.3 m -124.79 142.8 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 116.299 -0.41 . . . . 75.329999999999998 111.402 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.503 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 19.0 ptpt -70.18 -29.1 65.89 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.249 0.462 . . . . 75.420000000000002 112.249 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.503 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 12.3 p30 -156.74 176.81 12.25 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.121 0.486 . . . . 72.239999999999995 111.631 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 69.7 p -72.24 -33.37 67.49 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.441 0.534 . . . . 64.530000000000001 112.441 -176.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.424 ' HA ' ' HG1' ' B' ' 60' ' ' THR . 16.3 t70 -65.32 -37.41 87.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.677 0.751 . . . . 74.109999999999999 110.066 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.461 ' HZ1' ' CG ' ' B' ' 30' ' ' ASP . 48.3 tptt -57.87 -43.62 86.11 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.24 -0.891 . . . . 72.420000000000002 110.902 172.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.548 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 64.4 tp -65.77 -47.35 75.48 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.189 -0.459 . . . . 70.109999999999999 111.829 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' THR . . . . . 0.424 ' HG1' ' HA ' ' B' ' 57' ' ' ASP . 67.5 p -61.61 -27.46 68.67 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 111.723 0.268 . . . . 75.109999999999999 111.723 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 84.9 m -60.27 -48.85 79.98 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.094 0.473 . . . . 73.319999999999993 111.02 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 68.8 mt -58.54 -37.61 76.05 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.241 -0.436 . . . . 75.25 111.005 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.548 ' HE3' ' HG ' ' B' ' 59' ' ' LEU . 62.9 mtt -53.94 -50.25 66.87 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.27 -0.423 . . . . 72.230000000000004 110.797 176.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.509 ' O ' ' HE3' ' B' ' 68' ' ' LYS . 18.0 t70 -57.07 -47.67 80.45 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.493 -0.321 . . . . 72.010000000000005 110.768 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -53.01 -41.52 64.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.105 0.478 . . . . 75.140000000000001 111.887 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.48 HD12 HD11 ' B' ' 10' ' ' ILE . 43.1 mt -76.0 -26.49 56.75 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.065 -0.516 . . . . 75.109999999999999 111.502 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.3 mtt180 -78.8 -7.86 58.24 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.375 -0.375 . . . . 72.120000000000005 111.953 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.509 ' HE3' ' O ' ' B' ' 64' ' ' ASP . 9.4 mmpt? -72.12 -25.96 61.94 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.864 0.364 . . . . 74.340000000000003 111.444 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.445 ' CG1' ' SD ' ' B' ' 18' ' ' MET . 46.1 t -78.7 125.34 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 121.42 0.629 . . . . 72.420000000000002 112.103 -174.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -56.53 -31.7 64.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.436 -0.802 . . . . 72.310000000000002 112.685 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . 0.421 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -73.11 -24.32 75.95 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 114.523 0.569 . . . . 64.239999999999995 114.523 -177.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . 0.446 HG23 ' HE3' ' B' ' 18' ' ' MET . 42.4 t -90.8 139.78 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 117.871 0.835 . . . . 74.209999999999994 111.688 -177.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.411 ' CE2' HG12 ' B' ' 11' ' ' VAL . 0.5 OUTLIER -121.0 -17.62 7.76 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.457 0.539 . . . . 75.140000000000001 112.457 176.877 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.541 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 4.2 p -128.98 119.69 24.75 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.016 0.436 . . . . 73.140000000000001 112.035 176.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 47.5 t -132.05 105.29 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.825 -0.435 . . . . 74.109999999999999 109.825 172.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.47 ' HG3' ' HB3' ' B' ' 9' ' ' ARG . 7.8 pt-20 -133.49 165.87 23.88 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.084 -0.507 . . . . 71.420000000000002 112.027 -170.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.407 HH11 ' CD2' ' B' ' 59' ' ' LEU . 22.1 ttt85 -91.07 130.63 36.96 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.321 0.489 . . . . 74.209999999999994 112.321 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.433 ' HG ' ' HB2' ' B' ' 9' ' ' ARG . 96.9 mt -91.18 106.39 18.47 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.167 -0.47 . . . . 54.549999999999997 110.482 173.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 47.1 t -89.75 -37.26 14.66 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.011 0.434 . . . . 74.329999999999998 111.367 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -89.1 97.73 11.36 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.999 0.428 . . . . 70.109999999999999 110.506 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 mt . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 112.745 0.646 . . . . 62.109999999999999 112.745 -172.786 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 . . . . . 0 C--O 1.235 0.329 0 CA-C-O 120.958 0.408 . . . . 74.329999999999998 110.173 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.5 tp -78.81 103.01 8.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.555 0.693 . . . . 73.019999999999996 110.772 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.473 ' HB1' HD23 ' A' ' 59' ' ' LEU . . . -94.0 132.71 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.473 -0.785 . . . . 72.430000000000007 111.697 -178.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.24 146.06 17.69 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.176 -0.535 . . . . 62.539999999999999 112.771 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.404 HD11 HD23 ' A' ' 49' ' ' LEU . 55.2 mt -132.58 132.61 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 122.675 -0.309 . . . . 74.239999999999995 110.88 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.508 ' HB2' HD23 ' A' ' 78' ' ' LEU . 56.4 ttt180 -109.45 124.39 50.96 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.958 0.409 . . . . 74.549999999999997 110.837 174.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.547 ' HB ' ' HB3' ' A' ' 47' ' ' CYS . 37.9 mt -113.38 116.82 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.896 -0.593 . . . . 74.239999999999995 110.728 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.615 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 59.9 t -118.68 109.9 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 121.782 0.801 . . . . 75.120000000000005 111.062 175.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.33 164.28 23.88 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.213 -0.903 . . . . 75.329999999999998 111.813 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.98 140.16 48.98 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.398 0.618 . . . . 74.450000000000003 112.477 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -71.45 103.74 3.02 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.735 -0.666 . . . . 73.019999999999996 110.644 177.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 18' ' ' MET . 0.0 OUTLIER -163.36 147.5 10.81 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.361 -0.381 . . . . 75.010000000000005 111.39 -178.663 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 52.37 19.26 1.09 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.881 1.067 . . . . 74.409999999999997 113.881 168.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.54 34.98 27.04 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 120.88 -0.676 . . . . 74.430000000000007 113.192 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.498 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 52.0 mmm -55.89 -49.04 74.49 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.804 0.441 . . . . 64.010000000000005 112.017 178.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.9 p -50.58 -37.71 41.37 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.118 0.485 . . . . 65.129999999999995 111.735 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.543 ' HA ' HD11 ' B' ' 33' ' ' ILE . 26.0 t-20 -75.46 -46.8 30.37 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.987 -0.551 . . . . 65.239999999999995 111.039 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.498 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.5 pt20 -66.15 -38.19 87.51 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.854 0.359 . . . . 74.209999999999994 111.299 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 22' ' ' ILE . 13.8 mm -63.62 -53.81 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 112.241 0.46 . . . . 74.430000000000007 112.241 -176.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 m -68.8 -27.57 65.98 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.367 0.603 . . . . 73.209999999999994 110.284 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.95 -46.61 93.74 Favored Glycine 0 CA--C 1.528 0.867 0 CA-C-N 115.803 -0.635 . . . . 71.140000000000001 112.608 173.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 21' ' ' GLN . 95.5 t -64.3 -37.21 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 122.569 -0.371 . . . . 64.5 111.299 176.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.445 HG23 HD13 ' A' ' 49' ' ' LEU . 68.0 mt -55.21 -44.68 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 120.998 0.428 . . . . 75.099999999999994 112.034 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.3 p -61.97 -21.72 65.05 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.168 -0.332 . . . . 74.510000000000005 111.561 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -85.03 11.43 9.58 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.071 0.397 . . . . 74.230000000000004 112.071 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -82.41 162.25 22.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.362 0.601 . . . . 71.109999999999999 112.401 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.77 29.6 0.89 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.801 -0.636 . . . . 71.430000000000007 111.518 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 t -138.21 149.03 45.41 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.952 0.406 . . . . 63.439999999999998 111.418 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -80.61 123.01 27.79 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.33 -0.396 . . . . 74.129999999999995 111.344 -175.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.488 ' HA ' HG22 ' A' ' 51' ' ' ILE . 72.5 mt -68.61 104.48 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.819 0.342 . . . . 73.030000000000001 111.496 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -31.18 22.04 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.845 0.355 . . . . 74.439999999999998 110.776 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.644 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 34.5 m -156.93 133.38 9.93 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.491 -0.322 . . . . 61.43 111.688 175.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.686 HD12 ' SG ' ' A' ' 47' ' ' CYS . 9.8 tp -135.53 130.05 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 110.177 -0.305 . . . . 74.219999999999999 110.177 172.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.7 t -136.0 104.75 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 120.971 0.415 . . . . 73.329999999999998 111.18 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.624 ' HB3' HG23 ' B' ' 36' ' ' ILE . 8.8 tt -113.92 133.03 55.71 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.59 -0.277 . . . . 75.420000000000002 110.474 178.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -142.29 138.53 31.41 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.795 0.331 . . . . 75.230000000000004 110.976 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -101.54 118.6 37.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.086 0.469 . . . . 61.409999999999997 111.591 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.09 157.85 43.74 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.2 -0.455 . . . . 65.310000000000002 110.604 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 64.23 13.36 7.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.918 0.487 . . . . 54.310000000000002 112.119 -177.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.83 11.11 77.63 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.995 -0.622 . . . . 55.520000000000003 112.466 -174.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -131.95 173.0 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.297 -0.631 . . . . 70.450000000000003 109.297 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 40.3 p90 -131.02 146.94 52.56 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.72 -0.612 . . . . 75.140000000000001 111.166 173.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.3 t -121.33 104.74 9.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.15 0.5 . . . . 75.430000000000007 110.914 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.686 ' SG ' HD12 ' A' ' 36' ' ' ILE . 46.2 t -90.83 114.39 26.79 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.093 -0.503 . . . . 54.219999999999999 111.189 178.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.411 ' O ' HD11 ' A' ' 36' ' ' ILE . 3.5 m-20 -100.34 105.42 16.94 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.777 0.323 . . . . 74.049999999999997 111.069 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.445 HD13 HG23 ' A' ' 26' ' ' ILE . 53.2 tp -98.24 135.7 39.49 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.012 0.434 . . . . 74.430000000000007 111.873 -178.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.559 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 57.0 mmm -129.9 110.92 12.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 116.25 -0.432 . . . . 71.329999999999998 110.923 177.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -141.87 159.48 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 116.179 -0.464 . . . . 74.540000000000006 111.732 -177.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -92.7 130.97 38.16 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.085 0.469 . . . . 62.5 111.39 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.4 m -120.68 158.56 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.212 0.53 . . . . 71.209999999999994 111.578 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.515 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.0 ptmt -88.13 -7.83 56.34 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.138 -0.483 . . . . 75.540000000000006 112.224 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.515 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.8 p30 -177.82 173.07 1.62 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.873 0.469 . . . . 74.420000000000002 111.076 175.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -69.76 -39.81 76.47 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.525 0.565 . . . . 71.310000000000002 112.525 -176.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.16 -35.37 80.56 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.803 0.811 . . . . 63.439999999999998 110.076 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -57.93 -33.06 68.4 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.14 -0.937 . . . . 73.519999999999996 111.023 173.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.473 HD23 ' HB1' ' A' ' 6' ' ' ALA . 58.9 tp -77.42 -47.99 18.35 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.08 -0.509 . . . . 75.439999999999998 111.474 176.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.0 p -60.67 -28.39 68.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.948 0.404 . . . . 73.409999999999997 111.771 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.7 m -61.78 -41.58 97.9 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.021 0.438 . . . . 74.319999999999993 110.951 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.4 -36.53 82.61 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.389 -0.369 . . . . 74.5 110.895 177.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 59.6 mtt -57.11 -48.23 79.15 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.011 0.434 . . . . 63.130000000000003 110.694 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -58.98 -45.66 90.03 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.816 -0.629 . . . . 64.129999999999995 111.314 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -55.89 -46.64 78.3 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.03 -0.532 . . . . 74.329999999999998 111.651 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.546 HD13 HD12 ' A' ' 10' ' ' ILE . 41.6 mt -72.3 -28.29 63.0 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.267 0.556 . . . . 74.0 111.495 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -74.83 -7.42 53.37 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.85 -0.613 . . . . 75.129999999999995 112.076 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -71.62 -17.13 62.29 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.092 -0.38 . . . . 71.049999999999997 111.945 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.09 119.68 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.828 0.347 . . . . 75.219999999999999 111.611 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -56.64 -32.13 65.04 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.029 0.381 . . . . 71.349999999999994 112.029 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.01 -18.54 76.44 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.365 -0.445 . . . . 71.239999999999995 114.116 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.75 120.78 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 117.226 0.513 . . . . 65.219999999999999 111.244 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -106.32 -5.85 18.78 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.535 0.569 . . . . 64.040000000000006 112.535 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.615 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 8.4 p -137.51 120.65 16.73 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.018 0.437 . . . . 74.319999999999993 111.75 174.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.3 t -127.75 103.96 11.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.293 -0.632 . . . . 75.299999999999997 109.293 170.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -130.12 167.18 18.75 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.048 0.451 . . . . 71.219999999999999 112.111 -172.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -94.87 139.79 30.83 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.278 0.561 . . . . 74.540000000000006 111.518 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.508 HD23 ' HB2' ' A' ' 9' ' ' ARG . 94.7 mt -89.04 102.05 14.7 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.929 -0.578 . . . . 74.329999999999998 110.131 171.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.1 p -77.95 -63.43 1.39 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.157 -0.474 . . . . 74.219999999999999 111.57 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.67 102.94 5.55 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.11 0.481 . . . . 74.129999999999995 111.129 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.6 mt . . . . . 0 CA--C 1.536 0.407 0 CA-C-O 121.149 0.5 . . . . 73.310000000000002 111.943 -177.351 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.505 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 4.8 m-20 . . . . . 0 CA--C 1.538 0.491 0 CA-C-O 120.905 0.383 . . . . 70.209999999999994 111.212 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -117.47 157.27 26.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 72.209999999999994 109.934 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 43.1 tp -75.53 102.59 5.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.053 0.454 . . . . 73.019999999999996 110.84 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.0 158.39 15.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.099 0.476 . . . . 62.109999999999999 111.306 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.37 153.52 21.99 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.977 -0.63 . . . . 73.319999999999993 112.741 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 57.9 mt -137.45 140.85 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 122.587 0.355 . . . . 74.120000000000005 110.646 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.516 ' HB2' HD23 ' B' ' 78' ' ' LEU . 66.0 ttt180 -118.2 123.26 45.05 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.942 0.401 . . . . 73.239999999999995 110.77 175.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.596 HD11 HD13 ' B' ' 66' ' ' LEU . 48.7 mt -113.14 116.42 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.045 -0.525 . . . . 75.519999999999996 110.847 -179.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.616 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 92.2 t -114.38 116.86 53.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.473 0.654 . . . . 75.420000000000002 110.882 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.05 167.91 25.52 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.632 -0.713 . . . . 63.420000000000002 112.935 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.23 121.43 12.54 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 121.35 0.595 . . . . 72.030000000000001 112.229 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -68.78 92.33 0.48 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.146 0.498 . . . . 73.019999999999996 111.747 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -112.25 168.49 9.58 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.918 0.866 . . . . 75.209999999999994 113.32 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -75.47 41.19 0.18 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.34 -1.3 . . . . 75.340000000000003 112.892 -175.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.13 -27.71 0.06 OUTLIER Glycine 0 CA--C 1.525 0.68 0 CA-C-N 115.849 -0.614 . . . . 74.409999999999997 112.094 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.443 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 58.1 mmm -56.64 -50.86 70.8 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.291 0.478 . . . . 71.099999999999994 112.291 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 70.0 p -60.18 -31.99 70.64 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.904 0.383 . . . . 75.109999999999999 111.456 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.43 ' ND2' HG13 ' A' ' 33' ' ' ILE . 14.4 m120 -74.27 -48.2 30.16 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.16 0.505 . . . . 73.239999999999995 110.878 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.48 ' O ' HG22 ' B' ' 25' ' ' VAL . 9.7 pt20 -65.39 -36.05 82.81 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.086 -0.506 . . . . 75.319999999999993 111.621 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' B' ' 22' ' ' ILE . 10.9 mm -62.53 -53.58 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 112.333 0.494 . . . . 62.140000000000001 112.333 -176.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 3.5 m -70.95 -27.41 63.72 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.39 -0.524 . . . . 73.439999999999998 110.261 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.18 -48.26 86.8 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-N 116.142 -0.481 . . . . 74.239999999999995 112.562 173.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.48 HG22 ' O ' ' B' ' 21' ' ' GLN . 94.5 t -59.57 -38.16 74.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 122.464 -0.433 . . . . 75.010000000000005 110.993 175.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.404 HG21 HD13 ' B' ' 49' ' ' LEU . 72.0 mt -60.02 -41.58 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 116.279 -0.419 . . . . 75.230000000000004 112.003 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 52.3 p -65.21 -20.86 66.63 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.992 0.425 . . . . 75.219999999999999 111.334 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 28.0 mtpp -76.84 -8.24 56.96 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.186 0.439 . . . . 74.349999999999994 112.186 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 22.8 m-30 -68.92 179.26 1.88 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.517 0.675 . . . . 72.329999999999998 112.187 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -109.1 5.07 23.7 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.781 -0.645 . . . . 74.219999999999999 112.158 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.0 t -106.73 166.88 10.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.593 0.59 . . . . 72.239999999999995 112.593 -174.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -94.85 122.18 37.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.928 -0.578 . . . . 64.310000000000002 111.947 -176.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 20' ' ' ASN . 60.4 mt -76.14 126.6 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.092 -0.504 . . . . 74.010000000000005 111.847 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' B' ' 34' ' ' ARG . 35.1 mmt180 -105.1 -28.93 10.72 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.041 0.448 . . . . 74.5 111.018 174.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.544 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 95.5 m -156.92 132.87 9.57 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.143 -0.48 . . . . 73.420000000000002 111.425 176.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 38' ' ' LEU . 10.6 tp -131.94 132.48 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.917 0.389 . . . . 63.210000000000001 110.378 172.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 97.8 t -126.29 141.06 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.255 -0.43 . . . . 75.530000000000001 110.663 178.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.644 ' O ' ' HA ' ' A' ' 35' ' ' THR . 8.0 tt -145.09 116.61 8.08 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.576 -0.527 . . . . 74.540000000000006 109.576 171.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' B' ' 39' ' ' ASN . 3.6 p-10 -135.76 127.22 28.62 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.088 0.47 . . . . 75.310000000000002 111.542 178.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -102.78 133.92 47.03 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.212 0.53 . . . . 54.039999999999999 112.165 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -151.56 147.4 26.75 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.729 -0.668 . . . . 74.329999999999998 110.453 176.477 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.4 t70 64.1 20.34 12.15 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.164 0.507 . . . . 64.409999999999997 111.914 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.79 6.76 82.32 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.841 -0.695 . . . . 73.430000000000007 113.067 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mt -125.43 161.7 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 109.69 -0.485 . . . . 71.120000000000005 109.69 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.547 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 36.7 p90 -131.56 145.61 51.81 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.981 -0.449 . . . . 73.540000000000006 111.23 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.3 t -120.19 108.17 13.9 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.084 0.469 . . . . 63.109999999999999 111.446 176.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 48.4 t -96.58 116.46 29.14 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.41 -0.359 . . . . 74.540000000000006 111.313 177.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.4 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 2.5 m-20 -104.8 113.3 26.81 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.973 0.416 . . . . 74.209999999999994 111.205 -177.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.404 HD13 HG21 ' B' ' 26' ' ' ILE . 58.4 tp -98.3 134.21 41.63 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.228 -0.442 . . . . 62.240000000000002 111.844 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.408 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 67.6 mmm -124.03 110.55 14.9 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.812 0.339 . . . . 73.420000000000002 111.121 176.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.504 HG21 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -142.31 158.82 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 121.093 0.473 . . . . 72.200000000000003 111.993 -176.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -92.36 135.8 33.73 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 111.837 0.31 . . . . 75.439999999999998 111.837 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 3.6 m -136.61 146.79 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.723 0.297 . . . . 72.530000000000001 111.161 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -73.18 -17.84 61.33 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.578 0.584 . . . . 75.109999999999999 112.578 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.3 155.56 7.89 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.212 0.449 . . . . 74.25 112.212 -178.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -58.6 -25.03 62.21 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.851 0.686 . . . . 75.219999999999999 112.851 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.21 -41.0 92.11 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.755 0.788 . . . . 72.230000000000004 110.639 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -61.74 -38.94 89.8 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.995 -1.002 . . . . 73.420000000000002 111.123 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.412 HD21 ' HB2' ' B' ' 77' ' ' ARG . 57.0 tp -68.4 -45.24 73.22 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.059 -0.519 . . . . 74.230000000000004 111.583 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 71.9 p -65.41 -34.04 77.36 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.011 0.434 . . . . 74.120000000000005 111.682 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 85.2 m -62.56 -40.5 97.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.309 -0.405 . . . . 63.210000000000001 111.388 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.42 -38.85 92.74 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.608 -0.269 . . . . 74.519999999999996 111.676 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.573 ' HE3' ' HB3' ' B' ' 77' ' ' ARG . 57.9 mtt -51.25 -52.66 42.73 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.028 0.442 . . . . 70.209999999999994 110.714 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.527 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 27.3 t70 -54.35 -52.97 59.91 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.663 -0.698 . . . . 74.099999999999994 111.103 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -50.26 -39.16 44.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.108 0.48 . . . . 74.239999999999995 111.836 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.596 HD13 HD11 ' B' ' 10' ' ' ILE . 59.9 mt -79.6 -26.61 41.2 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.143 -0.48 . . . . 64.420000000000002 111.766 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.8 mtt180 -75.62 -11.03 59.93 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.45 -0.341 . . . . 73.140000000000001 111.755 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 13.1 mmmm -75.37 2.71 10.64 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.838 0.351 . . . . 75.209999999999994 111.905 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.3 t -97.17 125.59 50.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 CA-C-O 120.776 0.322 . . . . 74.540000000000006 111.36 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -56.96 -30.5 64.11 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 112.894 0.701 . . . . 74.099999999999994 112.894 -175.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.48 -10.08 74.34 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.953 -0.641 . . . . 73.239999999999995 114.323 -174.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.9 t -97.22 135.82 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 117.614 0.707 . . . . 64.25 111.466 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -121.8 -10.26 8.73 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.484 0.55 . . . . 75.310000000000002 112.484 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.616 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.3 p -135.31 122.7 21.85 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.03 0.443 . . . . 54.399999999999999 111.471 175.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 44.1 t -135.82 104.19 4.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 116.277 -0.419 . . . . 74.439999999999998 110.034 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -123.73 168.93 12.04 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.5 -0.318 . . . . 73.150000000000006 111.121 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.573 ' HB3' ' HE3' ' B' ' 63' ' ' MET . 13.3 ptt180 -98.81 136.43 38.85 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.425 0.631 . . . . 75.299999999999997 110.992 176.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' B' ' 9' ' ' ARG . 94.9 mt -79.59 91.64 5.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.929 -0.578 . . . . 72.5 110.619 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -72.14 -58.54 3.34 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.046 -0.524 . . . . 71.030000000000001 111.329 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.27 103.25 6.2 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.931 0.396 . . . . 74.239999999999995 110.763 178.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.248 0.547 . . . . 71.530000000000001 111.975 -177.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.0 p90 . . . . . 0 C--O 1.236 0.342 0 CA-C-O 120.984 0.421 . . . . 73.140000000000001 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' A' ' 50' ' ' MET . 51.0 tp -78.94 102.73 8.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.282 0.563 . . . . 74.439999999999998 110.977 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.461 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -93.65 150.02 20.75 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.945 -0.571 . . . . 71.310000000000002 111.702 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.28 143.61 14.46 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.018 -0.61 . . . . 51.219999999999999 113.622 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.1 mt -132.72 144.8 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 122.886 0.474 . . . . 73.239999999999995 110.043 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.502 ' HB2' HD22 ' A' ' 78' ' ' LEU . 62.9 ttt180 -121.89 133.39 54.86 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.659 -0.651 . . . . 75.310000000000002 111.3 175.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.453 ' HB ' ' HB3' ' A' ' 47' ' ' CYS . 19.8 mt -121.3 117.36 52.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 115.931 -0.577 . . . . 73.319999999999993 110.881 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.565 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 52.3 t -122.01 118.63 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 121.513 0.673 . . . . 74.019999999999996 111.227 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.42 158.88 27.79 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.46 -0.791 . . . . 60.149999999999999 112.779 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.04 128.08 35.4 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.078 0.466 . . . . 74.310000000000002 111.314 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.42 109.68 7.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.823 0.344 . . . . 65.409999999999997 111.174 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 18' ' ' MET . 20.5 ptmt -149.24 128.77 13.09 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.36 0.504 . . . . 74.319999999999993 112.36 -176.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 56.33 26.49 10.65 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.889 1.07 . . . . 74.409999999999997 113.889 172.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.553 ' HA2' HD21 ' B' ' 32' ' ' ASN . . . 86.83 37.68 8.42 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 120.826 -0.702 . . . . 75.200000000000003 113.799 177.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.565 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 35.0 mtp -66.22 -42.13 89.13 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.359 0.503 . . . . 63.329999999999998 112.359 178.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.4 p -50.65 -29.76 11.84 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.906 0.384 . . . . 63.340000000000003 111.936 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.465 ' ND2' HG13 ' B' ' 33' ' ' ILE . 14.8 m120 -72.89 -48.15 39.77 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.084 0.469 . . . . 74.239999999999995 111.034 178.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 18' ' ' MET . 1.7 pt20 -66.06 -38.31 88.0 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.983 -0.553 . . . . 74.219999999999999 111.16 -177.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.522 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 22.3 mm -62.27 -53.76 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 112.43 0.53 . . . . 72.439999999999998 112.43 -175.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 m -72.09 -26.79 62.29 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.431 -0.508 . . . . 62.229999999999997 110.502 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.68 -45.81 95.07 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 120.88 -0.676 . . . . 62.200000000000003 112.147 172.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.523 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 89.4 t -62.35 -35.63 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.647 0.26 . . . . 74.230000000000004 111.476 176.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.566 HD11 HD23 ' A' ' 49' ' ' LEU . 48.7 mm -51.52 -43.11 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-O 121.284 0.564 . . . . 75.209999999999994 111.329 176.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 m -59.0 -32.62 69.87 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.945 -0.57 . . . . 73.299999999999997 111.518 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' ' 25' ' ' VAL . 37.6 mtmt -86.58 18.29 3.42 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.974 -0.557 . . . . 73.519999999999996 112.361 -171.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 21.6 m-30 -90.05 -5.78 56.23 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 111.975 0.361 . . . . 74.340000000000003 111.975 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 67.86 1.97 2.9 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.521 0.563 . . . . 73.019999999999996 112.521 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 t -101.58 147.48 26.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.239 -0.288 . . . . 72.420000000000002 111.037 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -72.5 120.54 18.26 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.065 0.46 . . . . 73.230000000000004 111.55 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.502 ' HA ' HG23 ' A' ' 51' ' ' ILE . 79.1 mt -72.35 101.07 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 116.158 -0.474 . . . . 71.319999999999993 111.459 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -82.21 -33.57 29.3 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.911 0.386 . . . . 75.400000000000006 110.472 178.609 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 46.2 m -155.25 132.62 11.05 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.743 0.306 . . . . 72.010000000000005 111.753 176.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.694 HD11 ' SG ' ' A' ' 47' ' ' CYS . 9.8 tp -140.45 131.55 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 110.232 -0.285 . . . . 75.329999999999998 110.232 174.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.88 104.84 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 120.932 0.396 . . . . 74.140000000000001 111.785 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.643 ' HB3' HG23 ' B' ' 36' ' ' ILE . 8.0 tt -113.51 127.15 55.99 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 122.304 -0.248 . . . . 72.310000000000002 110.35 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -138.81 131.88 29.69 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.801 0.334 . . . . 75.329999999999998 110.97 173.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -97.79 104.56 16.6 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.25 0.548 . . . . 70.530000000000001 111.559 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' HE3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -128.8 152.81 48.06 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.918 -0.583 . . . . 75.340000000000003 110.372 178.039 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 66.6 8.71 6.05 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.537 0.335 . . . . 74.340000000000003 111.502 -176.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.77 75.58 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 121.257 -0.497 . . . . 62.409999999999997 112.674 -173.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.7 mt -125.64 153.85 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.16 0.584 . . . . 73.319999999999993 110.241 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 39.8 p90 -113.84 147.1 38.98 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.63 -0.669 . . . . 75.030000000000001 111.489 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 t -122.66 100.33 6.86 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.202 0.525 . . . . 71.099999999999994 110.96 173.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.694 ' SG ' HD11 ' A' ' 36' ' ' ILE . 48.6 t -94.34 113.59 25.5 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.042 -0.526 . . . . 61.100000000000001 111.402 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.421 ' O ' HD13 ' A' ' 36' ' ' ILE . 2.3 m-20 -100.89 112.06 24.41 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.769 0.319 . . . . 75.530000000000001 111.21 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.566 HD23 HD11 ' A' ' 26' ' ' ILE . 51.1 tp -98.74 134.28 41.87 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.224 -0.443 . . . . 71.109999999999999 112.147 -178.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.566 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 58.6 mmm -131.98 112.04 12.05 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.229 -0.442 . . . . 71.400000000000006 110.766 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.502 HG23 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -141.69 159.71 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 116.362 -0.381 . . . . 74.120000000000005 111.647 -176.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -92.72 145.82 24.12 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.026 0.441 . . . . 75.409999999999997 111.724 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 m -146.83 153.22 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 116.31 -0.404 . . . . 74.329999999999998 111.118 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -91.24 -9.28 45.82 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.003 0.371 . . . . 74.519999999999996 112.003 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -160.78 160.45 31.25 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.039 0.447 . . . . 74.519999999999996 111.737 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.9 p -72.36 -23.95 61.21 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.133 0.419 . . . . 74.010000000000005 112.133 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.83 -40.28 96.24 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.914 0.864 . . . . 75.349999999999994 109.837 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -59.49 -43.12 93.38 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.675 -1.148 . . . . 74.430000000000007 111.356 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.498 ' HG ' ' HE3' ' A' ' 63' ' ' MET . 50.4 tp -65.28 -48.04 74.57 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.384 -0.371 . . . . 73.349999999999994 111.811 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.7 p -64.67 -28.35 69.55 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.864 0.364 . . . . 75.109999999999999 111.66 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.2 m -61.44 -42.41 98.72 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.154 0.502 . . . . 75.329999999999998 111.413 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.65 -37.74 88.6 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 111.091 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.498 ' HE3' ' HG ' ' A' ' 59' ' ' LEU . 51.8 mtt -56.74 -49.38 75.38 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.222 0.534 . . . . 75.120000000000005 110.805 176.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.414 ' O ' ' HE2' ' A' ' 68' ' ' LYS . 10.7 t70 -58.37 -44.92 89.05 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.576 -0.738 . . . . 55.140000000000001 110.728 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -58.21 -40.79 82.54 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.931 0.396 . . . . 73.310000000000002 111.827 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.416 HD13 HD11 ' A' ' 10' ' ' ILE . 44.7 mt -76.04 -31.92 59.08 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.064 0.459 . . . . 74.239999999999995 112.178 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -71.35 -7.76 49.26 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 112.648 0.61 . . . . 73.519999999999996 112.648 -174.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.414 ' HE2' ' O ' ' A' ' 64' ' ' ASP . 70.9 mmtt -72.68 -18.85 61.51 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.168 0.433 . . . . 75.239999999999995 112.168 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.428 HG13 ' HE1' ' A' ' 18' ' ' MET . 60.1 t -77.06 121.27 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 112.209 0.448 . . . . 75.400000000000006 112.209 -173.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 71' ' ' GLY . 6.7 pt20 -54.62 -34.45 62.11 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.855 0.687 . . . . 74.400000000000006 112.855 -177.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.558 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -75.94 -22.25 74.66 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.146 -0.55 . . . . 75.150000000000006 113.816 -176.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.2 t -88.94 133.12 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 117.12 0.46 . . . . 73.019999999999996 111.396 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.62 -8.61 10.9 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.373 0.509 . . . . 75.099999999999994 112.373 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.565 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 6.2 p -133.64 118.74 18.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.173 0.511 . . . . 73.409999999999997 111.492 175.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.4 t -134.69 102.52 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.681 -0.488 . . . . 74.040000000000006 109.681 171.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -137.68 173.7 11.37 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.255 0.55 . . . . 72.010000000000005 111.873 -173.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -87.47 148.07 25.11 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.846 -0.616 . . . . 74.120000000000005 111.523 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 9' ' ' ARG . 94.5 mt -96.77 104.97 17.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.288 -0.414 . . . . 71.329999999999998 110.697 174.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.6 p -80.19 -60.0 2.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.906 0.384 . . . . 74.209999999999994 111.598 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -76.37 104.1 6.71 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.274 0.559 . . . . 72.510000000000005 110.956 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.4 mt . . . . . 0 CA--C 1.537 0.452 0 CA-C-N 116.12 -0.491 . . . . 72.310000000000002 111.81 -177.853 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 121.078 0.466 . . . . 71.010000000000005 112.008 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -149.86 148.86 29.66 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.114 -0.493 . . . . 72.120000000000005 110.104 168.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 49.1 tp -77.36 102.14 6.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.257 0.551 . . . . 70.439999999999998 110.927 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.509 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -94.65 138.07 32.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.907 -0.588 . . . . 73.340000000000003 111.227 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . 0.484 ' HA3' ' HB2' ' B' ' 78' ' ' LEU . . . -114.24 143.08 17.88 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 121.034 -0.603 . . . . 72.450000000000003 113.518 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.55 HD13 HD22 ' B' ' 49' ' ' LEU . 41.1 mt -128.45 145.21 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.815 -0.439 . . . . 75.409999999999997 109.815 175.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.462 ' HB2' HD22 ' B' ' 78' ' ' LEU . 35.9 ttt180 -121.95 124.98 45.33 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.997 -0.439 . . . . 74.129999999999995 110.81 175.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.487 HD11 HD13 ' B' ' 66' ' ' LEU . 42.2 mt -113.3 117.25 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.535 . . . . 74.420000000000002 110.709 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.563 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 59.4 t -120.53 112.62 37.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 CA-C-O 121.342 0.592 . . . . 72.019999999999996 110.816 177.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.09 168.04 24.71 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.412 -0.813 . . . . 74.310000000000002 112.878 -177.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.419 ' HG3' ' HG2' ' B' ' 15' ' ' LYS . 14.6 pt-20 -76.44 143.64 40.43 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.24 0.459 . . . . 74.430000000000007 112.24 -176.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.69 94.11 0.06 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.268 0.47 . . . . 74.219999999999999 112.268 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.658 ' HZ1' ' HB3' ' B' ' 15' ' ' LYS . 3.5 mmmp? -107.63 145.87 32.74 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.68 -0.236 . . . . 72.140000000000001 111.214 172.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 4.37 -65.36 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 O-C-N 124.764 1.29 . . . . 75.340000000000003 114.365 164.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.15 31.91 1.92 Allowed Glycine 0 CA--C 1.528 0.859 0 CA-C-N 115.732 -0.667 . . . . 70.310000000000002 113.529 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.476 ' CG ' ' HB2' ' B' ' 15' ' ' LYS . 20.3 mmm -66.16 -48.3 71.2 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 122.493 -0.416 . . . . 74.329999999999998 111.961 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 67.7 p -59.23 -30.99 68.65 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.139 0.495 . . . . 71.129999999999995 111.502 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.414 ' ND2' HG13 ' A' ' 33' ' ' ILE . 14.0 m120 -76.24 -48.41 20.4 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.061 -0.518 . . . . 70.040000000000006 110.949 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.473 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.6 pt20 -67.0 -39.74 87.18 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.305 -0.407 . . . . 73.209999999999994 111.678 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.414 ' O ' HG13 ' B' ' 26' ' ' ILE . 10.5 mm -56.36 -54.33 29.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 112.007 0.373 . . . . 75.099999999999994 112.007 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 15.6 m -74.67 -28.59 60.9 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.093 0.473 . . . . 71.519999999999996 110.76 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.17 95.54 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-N 116.083 -0.508 . . . . 75.219999999999999 112.633 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 21' ' ' GLN . 91.9 t -71.61 -36.88 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 120.91 0.386 . . . . 73.019999999999996 110.836 175.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.419 HG21 HD13 ' B' ' 49' ' ' LEU . 71.2 mt -56.66 -40.18 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 120.806 0.336 . . . . 73.409999999999997 111.753 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 61.9 p -62.24 -21.74 65.41 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 120.764 0.316 . . . . 72.549999999999997 111.326 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -80.52 -1.55 42.3 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 111.882 0.327 . . . . 71.420000000000002 111.882 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -73.2 154.18 40.37 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.563 0.697 . . . . 73.340000000000003 112.332 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.32 10.51 2.45 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.363 -0.835 . . . . 65.040000000000006 111.948 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.504 ' HG1' ' HB ' ' B' ' 51' ' ' ILE . 1.8 t -125.79 162.62 24.69 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 112.531 0.567 . . . . 73.329999999999998 112.531 -176.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . 0.553 HD21 ' HA2' ' A' ' 17' ' ' GLY . 25.4 t-20 -87.38 132.12 34.07 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.0 -0.545 . . . . 74.040000000000006 111.505 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.465 HG13 ' ND2' ' A' ' 20' ' ' ASN . 64.8 mt -78.01 100.3 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.315 -0.402 . . . . 73.450000000000003 110.778 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' B' ' 34' ' ' ARG . 0.5 OUTLIER -77.51 -32.81 54.39 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.113 0.483 . . . . 70.209999999999994 111.1 -177.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 72.0 m -156.1 133.28 10.68 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.926 -0.579 . . . . 74.540000000000006 110.861 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.718 HD11 ' SG ' ' B' ' 47' ' ' CYS . 10.7 tp -134.15 130.12 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 120.993 0.425 . . . . 73.540000000000006 110.588 175.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 85.7 t -126.15 138.68 53.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 CA-C-N 116.437 -0.347 . . . . 70.310000000000002 110.254 177.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.631 ' O ' ' HA ' ' A' ' 35' ' ' THR . 7.7 tt -144.1 116.31 8.45 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.866 -0.42 . . . . 71.510000000000005 109.866 175.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.426 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 2.5 p-10 -134.9 109.64 8.63 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.221 0.534 . . . . 63.200000000000003 111.564 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -92.24 130.82 37.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.355 0.598 . . . . 65.129999999999995 112.493 -177.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.523 ' HD3' ' N ' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -154.43 157.92 39.19 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.614 -0.721 . . . . 74.25 110.118 175.532 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 63.54 11.6 5.79 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 112.348 0.499 . . . . 71.109999999999999 112.348 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.53 11.36 60.87 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 121.124 -0.56 . . . . 72.340000000000003 112.86 -177.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.8 mt -136.0 158.26 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 122.922 0.489 . . . . 75.420000000000002 110.598 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.52 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 43.2 p90 -129.38 140.07 51.48 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 122.052 -0.405 . . . . 74.329999999999998 111.517 177.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -112.09 102.26 10.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.095 0.474 . . . . 73.439999999999998 111.755 175.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.718 ' SG ' HD11 ' B' ' 36' ' ' ILE . 51.8 t -91.06 113.41 25.66 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.235 -0.438 . . . . 75.540000000000006 111.632 177.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -94.88 110.9 22.73 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.546 0.338 . . . . 74.430000000000007 111.065 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.55 HD22 HD13 ' B' ' 8' ' ' ILE . 55.1 tp -98.22 131.58 44.45 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.109 0.481 . . . . 72.430000000000007 112.013 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.411 ' HE1' ' CD1' ' B' ' 81' ' ' LEU . 0.1 OUTLIER -126.19 111.02 14.12 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.171 -0.468 . . . . 74.519999999999996 110.976 176.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.504 ' HB ' ' HG1' ' B' ' 31' ' ' THR . 2.6 pp -139.53 159.69 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 112.219 0.451 . . . . 75.140000000000001 112.219 -175.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -97.67 130.94 44.63 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.127 0.489 . . . . 74.430000000000007 111.789 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.77 155.96 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.954 0.407 . . . . 74.209999999999994 111.609 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.575 ' HB2' ' HZ2' ' B' ' 54' ' ' LYS . 10.2 mtmp? -88.64 -12.97 40.99 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.264 -0.426 . . . . 74.409999999999997 111.868 177.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -164.31 166.59 20.7 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.903 0.382 . . . . 65.439999999999998 111.529 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 66.2 p -72.5 -35.8 68.23 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.689 0.626 . . . . 65.540000000000006 112.689 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.41 -32.37 73.79 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.641 0.734 . . . . 71.219999999999999 110.538 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -59.04 -44.44 91.76 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.284 -0.871 . . . . 73.150000000000006 110.981 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.509 HD22 ' HB1' ' B' ' 6' ' ' ALA . 64.0 tp -67.24 -47.33 71.11 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.287 -0.415 . . . . 71.430000000000007 111.579 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 75.4 p -60.1 -36.95 78.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.606 -0.27 . . . . 74.549999999999997 111.486 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 82.1 m -63.1 -42.27 99.55 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.443 -0.344 . . . . 73.310000000000002 111.069 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 50.5 mt -59.88 -47.99 83.51 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.937 0.398 . . . . 75.409999999999997 111.199 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.57 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 71.7 mtm -59.8 -39.89 86.51 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.747 0.308 . . . . 71.099999999999994 110.953 176.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.15 -38.2 85.57 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.077 0.465 . . . . 71.439999999999998 111.012 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -62.28 -42.82 99.68 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.321 0.581 . . . . 71.140000000000001 111.029 174.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.487 HD13 HD11 ' B' ' 10' ' ' ILE . 65.3 mt -71.26 -26.85 63.07 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.992 -0.549 . . . . 71.200000000000003 111.742 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.5 mtt180 -68.44 -9.02 45.78 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 111.983 0.364 . . . . 74.219999999999999 111.983 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -76.78 -9.67 58.84 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.722 0.638 . . . . 71.400000000000006 112.722 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.8 t -92.46 125.49 45.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-O 121.491 0.662 . . . . 74.310000000000002 112.548 -174.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -58.43 -30.84 67.2 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.379 -0.828 . . . . 64.219999999999999 112.749 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.18 -11.94 84.53 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.254 -0.498 . . . . 73.109999999999999 114.186 -176.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.54 134.27 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 117.537 0.668 . . . . 73.450000000000003 111.942 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.29 -19.37 10.21 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.282 -0.417 . . . . 75.319999999999993 112.072 176.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.563 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 0.7 OUTLIER -124.13 118.38 26.77 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.946 -0.471 . . . . 74.400000000000006 111.655 176.077 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 39.6 t -128.28 110.27 21.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 109.053 -0.721 . . . . 75.109999999999999 109.053 170.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -137.71 160.93 37.88 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.745 0.646 . . . . 71.230000000000004 112.745 -173.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.433 ' HG3' HD23 ' B' ' 59' ' ' LEU . 76.1 ttt-85 -88.7 122.76 32.46 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.783 -0.644 . . . . 75.239999999999995 111.457 177.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.484 ' HB2' ' HA3' ' B' ' 7' ' ' GLY . 94.7 mt -70.45 99.55 1.62 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.939 0.399 . . . . 75.230000000000004 110.957 176.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 69.0 p -73.58 -58.27 3.42 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.133 0.492 . . . . 55.520000000000003 111.677 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -83.86 120.95 26.68 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 116.322 -0.399 . . . . 71.439999999999998 111.078 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.411 ' CD1' ' HE1' ' B' ' 50' ' ' MET . 48.4 mt . . . . . 0 N--CA 1.467 0.384 0 CA-C-O 121.484 0.659 . . . . 62.210000000000001 112.053 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.6 p90 . . . . . 0 C--O 1.235 0.328 0 CA-C-O 120.982 0.42 . . . . 75.209999999999994 109.975 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.0 tp -77.68 104.34 8.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.43 0.633 . . . . 74.109999999999999 110.808 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.48 ' HB3' HD11 ' A' ' 59' ' ' LEU . . . -93.09 136.85 32.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.728 -0.669 . . . . 74.219999999999999 111.542 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.69 138.43 14.81 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 121.276 -0.487 . . . . 63.32 113.189 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 mt -128.61 150.35 34.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 122.746 0.419 . . . . 75.129999999999995 110.359 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -128.77 130.33 46.88 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.894 0.378 . . . . 74.349999999999994 111.054 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.794 HD11 HD12 ' A' ' 66' ' ' LEU . 38.8 mt -120.41 117.36 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.999 -0.546 . . . . 63.340000000000003 110.981 -177.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.609 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 68.1 t -118.04 115.84 49.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.489 0.662 . . . . 74.25 111.058 174.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.0 162.93 27.09 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.59 -0.732 . . . . 73.150000000000006 112.59 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.38 139.21 47.72 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.12 0.486 . . . . 72.200000000000003 111.669 -177.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -76.03 108.23 8.79 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.266 -0.425 . . . . 74.150000000000006 111.893 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 17' ' ' GLY . 30.3 mtmm -134.92 127.13 30.05 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.299 -0.41 . . . . 73.400000000000006 111.248 175.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 53.96 -75.37 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.079 0.862 . . . . 74.420000000000002 113.162 167.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -149.04 30.09 1.22 Allowed Glycine 0 CA--C 1.525 0.678 0 CA-C-N 115.245 -0.889 . . . . 73.439999999999998 112.684 -175.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.444 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 59.0 mmm -57.5 -50.67 72.31 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.982 0.42 . . . . 71.219999999999999 111.647 177.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.8 p -56.7 -34.68 67.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 74.519999999999996 111.777 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -74.35 -45.88 44.33 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.05 0.452 . . . . 73.510000000000005 110.793 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.46 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.6 pt20 -67.54 -35.87 79.9 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.093 -0.503 . . . . 73.439999999999998 111.206 -176.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.454 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 12.1 mm -62.97 -53.57 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 111.998 0.369 . . . . 75.439999999999998 111.998 -178.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.4 ' HA ' HD11 ' A' ' 26' ' ' ILE . 10.1 m -72.02 -26.93 62.41 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.393 0.616 . . . . 62.140000000000001 110.152 177.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.37 -43.28 99.56 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 115.735 -0.666 . . . . 75.299999999999997 112.724 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 21' ' ' GLN . 75.2 t -66.31 -37.55 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-O 120.952 0.406 . . . . 75.019999999999996 110.795 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.4 HD11 ' HA ' ' A' ' 23' ' ' THR . 74.0 mt -55.97 -43.31 74.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 121.008 0.432 . . . . 72.230000000000004 111.702 175.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.9 p -66.31 -21.13 66.25 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 120.794 0.331 . . . . 71.420000000000002 111.438 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 57.8 mtpt -77.25 -3.9 42.13 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.268 0.47 . . . . 75.219999999999999 112.268 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -74.14 165.05 25.82 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.466 0.65 . . . . 74.230000000000004 111.945 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -78.57 -33.45 47.65 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.768 -0.651 . . . . 64.349999999999994 111.275 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -78.04 168.39 19.96 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.827 -0.624 . . . . 75.0 112.338 -176.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -104.18 136.46 43.75 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.109 0.48 . . . . 70.140000000000001 111.561 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' B' ' 20' ' ' ASN . 67.6 mt -65.5 131.89 31.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.233 0.539 . . . . 73.150000000000006 111.434 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HG2' ' HA ' ' A' ' 51' ' ' ILE . 8.7 mmm180 -110.23 -34.12 6.46 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.347 0.594 . . . . 75.340000000000003 110.266 176.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.455 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 34.1 m -157.23 132.46 9.02 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.826 -0.625 . . . . 64.230000000000004 110.263 175.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.616 HD13 ' SG ' ' A' ' 47' ' ' CYS . 10.9 tp -134.73 128.88 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 121.028 0.442 . . . . 65.230000000000004 110.578 175.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.482 HG11 HG23 ' B' ' 37' ' ' VAL . 59.8 t -126.15 121.13 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 116.457 -0.338 . . . . 62.109999999999999 110.794 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.478 ' O ' ' HA ' ' B' ' 35' ' ' THR . 9.5 tt -134.48 128.27 33.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.041 -0.412 . . . . 74.219999999999999 110.787 178.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.554 ' N ' HD21 ' A' ' 39' ' ' ASN . 0.0 OUTLIER -152.2 130.98 12.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.459 -0.337 . . . . 75.430000000000007 110.929 174.139 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.69 116.68 33.16 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.096 0.474 . . . . 73.319999999999993 111.686 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.464 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -129.72 149.37 51.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.08 -0.509 . . . . 74.209999999999994 110.017 176.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 57.95 22.4 8.73 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 111.995 0.368 . . . . 73.319999999999993 111.995 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.89 6.61 82.21 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 121.258 -0.496 . . . . 75.219999999999999 113.843 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.8 mt -131.93 148.53 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 122.489 -0.418 . . . . 74.420000000000002 110.89 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.544 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 44.8 p90 -116.16 145.61 42.94 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.078 0.466 . . . . 74.010000000000005 111.475 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -119.26 102.25 8.57 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.998 -0.546 . . . . 74.129999999999995 110.84 174.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.616 ' SG ' HD13 ' A' ' 36' ' ' ILE . 42.5 t -95.53 113.61 25.28 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.098 -0.501 . . . . 74.329999999999998 111.687 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.418 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.0 m-20 -97.94 112.39 24.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.56 0.344 . . . . 73.5 110.814 178.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.9 tp -99.01 131.86 44.75 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.032 0.444 . . . . 73.230000000000004 111.946 -178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.455 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 70.1 mmm -126.26 113.7 17.31 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.884 0.373 . . . . 72.430000000000007 111.308 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.436 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 2.3 pp -140.33 169.08 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 116.191 -0.459 . . . . 75.430000000000007 111.12 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.01 136.22 39.29 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.946 -0.471 . . . . 73.299999999999997 111.947 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.52 141.3 42.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 120.86 0.362 . . . . 72.239999999999995 110.938 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -73.65 -9.6 58.84 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.321 0.86 . . . . 74.510000000000005 113.321 179.516 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.89 154.18 12.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.138 0.422 . . . . 74.109999999999999 112.138 178.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.8 p -63.82 -23.6 67.42 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.528 0.566 . . . . 75.230000000000004 112.528 -175.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.36 -48.18 82.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.902 0.858 . . . . 74.430000000000007 109.611 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -57.71 -33.18 68.14 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.447 -1.251 . . . . 75.510000000000005 111.572 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.48 HD11 ' HB3' ' A' ' 6' ' ' ALA . 33.1 tp -70.3 -48.2 57.71 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.779 0.323 . . . . 75.209999999999994 111.618 178.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 63.4 p -61.81 -34.83 76.62 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.92 0.39 . . . . 74.019999999999996 111.385 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.8 m -57.76 -41.27 81.61 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.397 -0.365 . . . . 73.040000000000006 111.459 175.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.42 -35.13 79.92 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.447 -0.342 . . . . 73.0 111.696 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.9 mtt -54.66 -44.53 73.37 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.966 0.412 . . . . 74.030000000000001 110.986 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.543 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 32.2 t70 -60.84 -54.33 46.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.054 -0.521 . . . . 74.310000000000002 111.179 176.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -51.04 -36.97 42.59 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.715 -0.675 . . . . 73.519999999999996 111.968 -176.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.794 HD12 HD11 ' A' ' 10' ' ' ILE . 43.5 mt -83.76 -27.69 28.7 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.083 0.468 . . . . 73.140000000000001 111.524 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -79.82 -9.88 59.71 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 111.998 0.37 . . . . 74.120000000000005 111.998 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 31.5 mmmt -71.75 -5.51 34.57 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 122.089 -0.382 . . . . 75.530000000000001 111.974 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.92 121.31 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 120.717 0.294 . . . . 75.329999999999998 111.05 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -59.82 -28.82 67.8 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.546 0.573 . . . . 73.310000000000002 112.546 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.01 -14.88 78.6 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.166 -0.54 . . . . 53.539999999999999 114.08 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.54 141.08 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 117.246 0.523 . . . . 63.219999999999999 111.179 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -123.74 -3.59 8.22 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.803 0.668 . . . . 71.439999999999998 112.803 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.609 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 7.3 p -141.81 125.45 16.85 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.913 0.387 . . . . 75.430000000000007 111.156 174.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 t -141.2 101.91 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.561 -0.533 . . . . 75.430000000000007 109.561 172.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -131.19 177.89 7.12 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 111.868 0.322 . . . . 73.25 111.868 -172.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 77' ' ' ARG . 34.5 ttt180 -92.85 147.27 22.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.164 0.507 . . . . 74.329999999999998 111.499 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -95.27 114.88 26.72 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.864 -0.607 . . . . 70.219999999999999 110.714 173.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.2 t -81.6 -48.67 11.47 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.974 0.416 . . . . 65.319999999999993 111.797 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -85.99 114.75 23.13 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.42 -0.354 . . . . 75.329999999999998 110.982 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.1 mt . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 121.803 0.811 . . . . 74.420000000000002 110.99 -176.261 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.469 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 0.7 OUTLIER . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 120.78 0.324 . . . . 74.540000000000006 111.871 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -140.46 156.97 46.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.792 0.329 . . . . 71.340000000000003 110.565 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 37.4 tp -76.78 108.17 9.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.823 0.344 . . . . 73.409999999999997 110.971 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.461 ' HB1' HD11 ' B' ' 59' ' ' LEU . . . -100.71 153.21 19.63 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.468 -0.333 . . . . 62.350000000000001 111.307 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.93 135.45 8.26 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 120.876 -0.678 . . . . 64.540000000000006 114.051 -176.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 57.9 mt -127.51 126.61 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 122.838 0.455 . . . . 74.299999999999997 110.287 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.495 ' HB2' HD21 ' B' ' 78' ' ' LEU . 34.1 ttm180 -101.91 118.54 37.14 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.107 0.48 . . . . 73.310000000000002 111.307 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.554 HD12 HD12 ' B' ' 66' ' ' LEU . 49.1 mt -104.92 118.0 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.868 -0.605 . . . . 75.430000000000007 111.204 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.579 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 77.1 t -119.19 114.26 44.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.411 0.624 . . . . 73.129999999999995 110.895 175.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.26 170.93 23.91 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 115.647 -0.706 . . . . 71.019999999999996 112.444 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -73.89 128.67 36.14 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.252 0.549 . . . . 71.030000000000001 112.054 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.88 100.67 2.47 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.281 0.562 . . . . 74.439999999999998 111.45 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -120.41 179.37 4.33 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.912 -0.586 . . . . 74.040000000000006 112.394 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -74.94 43.16 0.19 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.696 0.999 . . . . 73.200000000000003 113.696 -171.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.3 -23.02 0.18 Allowed Glycine 0 CA--C 1.527 0.824 0 C-N-CA 121.201 -0.523 . . . . 64.219999999999999 113.469 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.446 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 35.3 mmm -53.31 -50.74 64.3 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.223 0.823 . . . . 65.099999999999994 113.223 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 50.6 p -56.65 -37.8 71.29 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.086 0.469 . . . . 64.109999999999999 111.907 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.48 ' HA ' HD12 ' A' ' 33' ' ' ILE . 25.3 t-20 -71.74 -45.94 60.14 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.979 -0.555 . . . . 64.310000000000002 110.643 -178.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.481 ' O ' HG22 ' B' ' 25' ' ' VAL . 7.9 pt20 -67.57 -38.94 84.82 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.087 -0.506 . . . . 75.439999999999998 111.426 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.428 ' O ' HG13 ' B' ' 26' ' ' ILE . 17.6 mm -61.1 -54.84 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 112.166 0.432 . . . . 72.230000000000004 112.166 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 14.0 m -73.82 -27.78 61.28 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.125 0.488 . . . . 75.140000000000001 110.636 -177.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -62.68 -52.2 50.35 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.212 -0.518 . . . . 74.219999999999999 112.549 174.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.481 HG22 ' O ' ' B' ' 21' ' ' GLN . 95.7 t -59.04 -37.92 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-O 120.893 0.378 . . . . 72.349999999999994 111.524 177.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.444 HG22 HD11 ' B' ' 49' ' ' LEU . 73.0 mt -57.56 -45.95 86.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 116.256 -0.429 . . . . 71.209999999999994 111.947 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 51.4 p -62.52 -20.85 65.03 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.835 0.35 . . . . 73.519999999999996 111.216 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 45.8 mtpt -82.33 4.77 22.54 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.359 0.503 . . . . 71.239999999999995 112.359 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -73.2 162.64 29.17 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.434 0.635 . . . . 73.430000000000007 112.055 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.48 -29.99 70.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.704 -0.68 . . . . 64.129999999999995 111.034 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.2 t -89.0 168.36 12.42 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.385 -0.825 . . . . 75.099999999999994 112.95 -172.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -93.8 125.37 38.39 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.674 -0.694 . . . . 73.040000000000006 111.114 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.484 ' HA ' HG21 ' B' ' 51' ' ' ILE . 2.2 mp -72.65 100.28 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.377 0.608 . . . . 73.219999999999999 110.6 177.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.432 ' HD3' ' HB1' ' A' ' 40' ' ' ALA . 5.2 tpp180 -80.64 -29.65 36.7 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.207 0.527 . . . . 75.209999999999994 110.898 -178.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 33.7 m -156.04 142.69 18.69 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.974 -0.557 . . . . 73.25 110.555 176.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.549 ' HA ' ' O ' ' B' ' 48' ' ' ASN . 20.4 tt -158.86 129.74 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.018 0.437 . . . . 74.019999999999996 111.165 173.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.482 HG23 HG11 ' A' ' 37' ' ' VAL . 64.3 t -132.82 105.03 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 116.504 -0.316 . . . . 75.109999999999999 111.552 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.596 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.6 tt -103.28 115.66 30.99 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 110.153 -0.314 . . . . 75.450000000000003 110.153 176.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -133.74 137.6 45.3 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.803 0.335 . . . . 73.219999999999999 110.922 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -102.25 123.11 45.5 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.176 0.512 . . . . 73.409999999999997 111.435 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.82 135.51 45.7 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.092 -0.504 . . . . 72.030000000000001 110.652 177.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 18.4 t70 65.72 13.22 8.83 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.013 -0.54 . . . . 74.120000000000005 112.03 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.62 -7.6 50.33 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 121.38 -0.438 . . . . 75.200000000000003 113.685 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -117.87 148.76 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 122.444 -0.444 . . . . 74.549999999999997 110.638 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.539 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 33.4 p90 -115.01 140.92 48.66 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.092 0.472 . . . . 71.409999999999997 111.677 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.3 t -116.13 104.88 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.017 -0.538 . . . . 74.420000000000002 110.907 175.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.4 103.07 15.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.057 0.456 . . . . 75.049999999999997 110.843 176.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.549 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 2.9 m-20 -83.41 105.35 14.28 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.266 -0.424 . . . . 74.400000000000006 110.655 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.444 HD11 HG22 ' B' ' 26' ' ' ILE . 33.6 tp -98.1 130.92 44.87 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.024 0.44 . . . . 72.120000000000005 111.899 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.535 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 60.4 mmm -130.82 113.46 14.11 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.246 -0.433 . . . . 74.0 111.306 178.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.484 HG21 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -138.35 158.79 31.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.0 0.429 . . . . 74.340000000000003 111.896 -177.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -90.38 131.67 36.03 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.879 0.371 . . . . 73.540000000000006 111.874 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 3.7 m -129.61 152.58 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 116.618 -0.265 . . . . 74.019999999999996 110.865 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.631 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 19.9 ptpt -94.01 -17.06 23.29 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.547 0.213 . . . . 74.150000000000006 111.428 175.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.631 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 30.2 m-80 -141.73 146.43 36.02 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.838 0.351 . . . . 74.439999999999998 111.219 176.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.8 p -61.36 -24.95 66.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.955 0.407 . . . . 74.230000000000004 111.227 173.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -56.11 -46.11 79.23 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.121 0.486 . . . . 71.129999999999995 110.878 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -57.34 -45.7 84.06 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.974 -0.557 . . . . 75.310000000000002 110.9 175.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.461 HD11 ' HB1' ' B' ' 6' ' ' ALA . 49.9 tp -57.04 -47.23 81.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.247 -0.433 . . . . 72.530000000000001 111.709 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.9 p -71.93 -27.73 63.0 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.912 0.387 . . . . 73.239999999999995 111.874 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 62.4 m -68.98 -42.29 76.73 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.701 0.286 . . . . 74.230000000000004 111.574 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 68.6 mt -59.78 -39.67 85.69 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.622 0.248 . . . . 70.409999999999997 111.283 177.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.497 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 61.8 mtt -51.48 -49.02 62.62 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.297 -0.41 . . . . 75.540000000000006 110.766 175.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 19.5 t70 -55.12 -52.65 62.59 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.873 -0.603 . . . . 71.409999999999997 111.153 177.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.694 ' HB3' ' HZ3' ' B' ' 65' ' ' LYS . 8.4 mtpm? -53.35 -34.49 57.77 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.237 0.541 . . . . 75.129999999999995 111.598 177.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.554 HD12 HD12 ' B' ' 10' ' ' ILE . 53.3 mt -81.77 -30.08 32.51 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.966 -0.561 . . . . 73.25 111.752 179.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' B' ' 63' ' ' MET . 51.9 mtt180 -70.65 -14.95 62.67 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.718 0.266 . . . . 74.109999999999999 111.718 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.583 ' HB3' ' HZ3' ' B' ' 68' ' ' LYS . 1.5 mmmp? -72.46 -8.85 57.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.969 0.359 . . . . 75.099999999999994 111.969 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.8 t -86.95 119.59 35.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-O 121.207 0.527 . . . . 74.329999999999998 111.596 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -55.29 -33.7 63.48 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.007 0.743 . . . . 73.299999999999997 113.007 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.2 -9.63 86.85 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 121.075 -0.583 . . . . 72.019999999999996 114.553 -176.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 96.6 t -99.94 137.58 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 117.789 0.795 . . . . 74.329999999999998 111.786 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.99 -19.81 9.63 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.497 0.554 . . . . 73.049999999999997 112.497 178.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.579 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.5 p -126.75 118.94 25.73 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.185 0.517 . . . . 64.239999999999995 111.998 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 34.6 t -128.62 103.44 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.848 -0.797 . . . . 62.25 108.848 169.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -131.2 156.66 44.97 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.96 0.726 . . . . 72.450000000000003 112.96 -167.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.444 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 57.0 ttp85 -85.44 127.62 34.45 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.7 -0.682 . . . . 75.0 111.677 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.495 HD21 ' HB2' ' B' ' 9' ' ' ARG . 80.9 mt -77.87 99.25 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.047 -0.524 . . . . 73.230000000000004 110.317 173.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 43.4 t -69.06 -57.91 4.79 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.186 0.517 . . . . 73.140000000000001 111.297 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . 0.536 ' N ' HD21 ' B' ' 80' ' ' ASN . 0.8 OUTLIER -93.59 97.17 10.32 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.288 -0.414 . . . . 75.219999999999999 110.139 175.386 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.427 HD23 ' HE2' ' B' ' 50' ' ' MET . 56.5 mt . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 121.799 0.809 . . . . 74.230000000000004 112.768 -175.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.407 ' HE2' ' HA ' ' A' ' 55' ' ' ASN . 52.0 p90 . . . . . 0 C--O 1.236 0.342 0 CA-C-O 120.957 0.408 . . . . 73.349999999999994 110.797 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.775 HD23 HH11 ' A' ' 34' ' ' ARG . 55.8 tp -81.64 107.7 14.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.185 0.517 . . . . 74.519999999999996 110.341 176.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.457 ' HB2' HD22 ' A' ' 59' ' ' LEU . . . -96.85 159.13 15.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.687 -0.688 . . . . 73.349999999999994 112.094 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -134.53 143.54 15.24 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 115.983 -0.553 . . . . 65.129999999999995 112.802 178.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.498 HD11 HD21 ' A' ' 49' ' ' LEU . 53.6 mt -129.61 140.67 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 122.644 0.378 . . . . 74.140000000000001 110.782 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -115.9 126.81 54.4 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.788 0.327 . . . . 62.210000000000001 111.339 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.763 HD12 HD13 ' A' ' 66' ' ' LEU . 40.5 mt -123.6 117.31 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 116.24 -0.437 . . . . 74.420000000000002 111.236 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.629 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 95.9 t -120.23 120.44 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.43 0.633 . . . . 75.239999999999995 111.232 174.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.3 163.07 27.54 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.751 -0.659 . . . . 73.019999999999996 112.886 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.08 134.21 52.35 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 121.207 0.527 . . . . 74.120000000000005 111.8 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -70.65 110.58 5.56 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.123 -0.49 . . . . 54.520000000000003 111.552 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.463 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 14.6 mmmm -121.2 -178.11 3.69 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.54 0.686 . . . . 72.140000000000001 112.733 -178.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -42.94 -30.77 0.44 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.339 -1.301 . . . . 71.0 114.002 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.36 36.8 0.4 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.383 -0.913 . . . . 73.25 113.747 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.465 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 50.2 mmm -73.59 -50.84 19.16 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 117.231 0.515 . . . . 73.129999999999995 111.979 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.7 p -61.18 -29.31 69.72 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.221 0.534 . . . . 73.109999999999999 111.109 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -76.44 -48.74 18.64 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.945 -0.571 . . . . 74.420000000000002 110.893 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.465 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.4 pt20 -68.77 -38.56 80.15 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.386 -0.37 . . . . 74.319999999999993 111.822 -176.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 22' ' ' ILE . 11.2 mm -56.32 -54.33 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.927 0.394 . . . . 74.019999999999996 111.858 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.427 HG23 HG23 ' B' ' 23' ' ' THR . 13.7 m -74.44 -27.19 60.49 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.209 0.528 . . . . 75.310000000000002 110.29 178.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.45 -38.32 93.35 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.214 -0.517 . . . . 71.209999999999994 112.475 172.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 21' ' ' GLN . 96.1 t -70.84 -40.21 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 120.91 0.386 . . . . 75.200000000000003 110.7 174.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.447 HG22 HD13 ' A' ' 49' ' ' LEU . 65.1 mt -56.14 -45.2 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 112.0 0.37 . . . . 71.019999999999996 112.0 177.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.4 p -59.21 -21.72 59.92 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 120.777 0.322 . . . . 72.519999999999996 111.702 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -75.49 -11.88 60.12 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.234 0.457 . . . . 73.329999999999998 112.234 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -65.63 161.65 20.01 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.949 0.88 . . . . 71.409999999999997 113.276 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -24.42 54.36 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.675 -1.148 . . . . 73.439999999999998 111.142 -178.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -91.28 179.13 5.78 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.828 -0.623 . . . . 70.540000000000006 112.018 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -108.07 132.6 53.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.455 -0.338 . . . . 72.200000000000003 111.065 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.474 ' HA ' HG23 ' A' ' 51' ' ' ILE . 67.2 mt -74.68 108.22 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.77 0.319 . . . . 74.549999999999997 111.383 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.775 HH11 HD23 ' A' ' 5' ' ' LEU . 35.8 ttt180 -80.93 -30.71 35.27 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.144 0.497 . . . . 72.209999999999994 110.351 177.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.537 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 87.3 m -159.6 132.83 6.99 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.03 -0.532 . . . . 74.420000000000002 111.147 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.725 HD12 ' SG ' ' A' ' 47' ' ' CYS . 10.4 tp -132.56 128.72 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 120.797 0.332 . . . . 75.310000000000002 110.176 173.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -135.4 104.74 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 120.93 0.395 . . . . 64.420000000000002 111.359 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.674 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.7 tt -114.7 129.17 56.65 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 110.083 -0.34 . . . . 73.430000000000007 110.083 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -138.46 139.51 38.87 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.755 0.312 . . . . 74.310000000000002 111.229 176.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.489 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -101.93 122.59 44.32 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.279 0.562 . . . . 71.019999999999996 111.521 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -140.35 142.13 35.6 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.882 -0.599 . . . . 74.299999999999997 110.593 178.629 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.67 12.74 9.0 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.147 0.498 . . . . 73.439999999999998 111.515 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.27 1.09 64.87 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 121.316 -0.469 . . . . 63.119999999999997 113.213 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.8 mt -123.16 161.64 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 109.635 -0.506 . . . . 75.0 109.635 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 34.8 p90 -124.68 148.86 47.73 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.999 -0.438 . . . . 72.430000000000007 111.772 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.45 ' HB ' HG21 ' A' ' 11' ' ' VAL . 2.3 t -122.27 114.13 20.39 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.078 -0.51 . . . . 65.040000000000006 111.065 174.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.725 ' SG ' HD12 ' A' ' 36' ' ' ILE . 51.9 t -95.54 114.28 26.03 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.355 -0.384 . . . . 73.439999999999998 110.95 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.417 ' O ' HD11 ' A' ' 36' ' ' ILE . 2.4 m-20 -99.58 106.68 18.69 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.318 -0.401 . . . . 72.109999999999999 110.737 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.498 HD21 HD11 ' A' ' 8' ' ' ILE . 56.0 tp -98.41 129.82 45.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.952 0.406 . . . . 73.299999999999997 112.05 -177.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.537 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 66.5 mmm -121.81 111.94 17.75 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.922 0.392 . . . . 61.530000000000001 110.983 176.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.474 HG23 ' HA ' ' A' ' 33' ' ' ILE . 2.3 pp -141.42 159.29 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.27 -0.423 . . . . 73.430000000000007 111.822 -176.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.416 ' CE2' ' HD2' ' A' ' 34' ' ' ARG . 22.0 m-85 -88.95 135.25 33.64 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.828 0.347 . . . . 75.530000000000001 111.667 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.6 m -133.68 150.03 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 116.512 -0.313 . . . . 74.420000000000002 111.182 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -59.49 -43.67 93.26 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.011 0.434 . . . . 72.120000000000005 111.562 175.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.407 ' HA ' ' HE2' ' A' ' 4' ' ' PHE . 2.3 p-10 -166.1 167.24 16.53 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.212 -0.449 . . . . 63.130000000000003 111.083 178.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.9 p -51.59 -33.66 33.73 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.568 0.951 . . . . 62.130000000000003 113.568 -172.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.15 -45.1 83.86 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.599 0.714 . . . . 74.219999999999999 110.828 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -58.71 -40.64 84.26 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.511 -0.768 . . . . 64.439999999999998 111.232 174.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.457 HD22 ' HB2' ' A' ' 6' ' ' ALA . 53.7 tp -65.64 -44.94 84.9 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.954 -0.566 . . . . 64.140000000000001 111.932 -178.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.2 p -60.93 -36.02 78.23 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.83 0.348 . . . . 75.530000000000001 111.272 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.7 m -57.36 -44.94 84.78 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.292 -0.413 . . . . 75.140000000000001 111.504 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.8 mt -60.63 -48.3 82.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.894 0.378 . . . . 74.510000000000005 111.508 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.62 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 74.4 mtm -55.35 -43.5 75.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.399 -0.364 . . . . 73.209999999999994 111.282 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.64 -46.29 84.37 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.971 0.415 . . . . 74.530000000000001 110.814 176.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -55.98 -33.13 64.54 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.116 -0.493 . . . . 74.340000000000003 111.37 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.763 HD13 HD12 ' A' ' 10' ' ' ILE . 41.0 mt -80.53 -26.61 37.98 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.23 -0.441 . . . . 75.239999999999995 111.942 177.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 63' ' ' MET . 80.7 mtp180 -70.63 -7.95 48.09 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.94 0.4 . . . . 74.319999999999993 111.678 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 68' ' ' LYS . 11.1 mmpt? -72.71 -18.36 61.54 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.555 0.576 . . . . 74.329999999999998 112.555 -178.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.401 HG23 HD13 ' A' ' 22' ' ' ILE . 93.6 t -79.76 116.78 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.986 0.422 . . . . 73.230000000000004 111.658 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -32.73 38.44 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.245 0.832 . . . . 75.510000000000005 113.245 -177.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.58 -21.76 79.36 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.148 -0.548 . . . . 63.020000000000003 113.901 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.2 t -85.15 139.8 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 117.334 0.567 . . . . 64.540000000000006 112.075 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -122.56 -11.4 8.27 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.393 0.516 . . . . 70.109999999999999 112.393 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.629 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 7.6 p -132.59 119.41 20.44 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.096 0.474 . . . . 72.450000000000003 111.297 175.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.71 105.91 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.221 -0.445 . . . . 74.25 109.809 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -136.82 154.32 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.673 0.62 . . . . 75.519999999999996 112.673 -174.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HG3' HD23 ' A' ' 59' ' ' LEU . 42.1 ttp85 -80.71 142.63 33.68 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.415 -0.811 . . . . 74.430000000000007 111.718 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.69 116.87 29.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.338 -0.392 . . . . 75.430000000000007 110.627 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.1 p -82.93 -59.59 2.44 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.883 0.373 . . . . 71.239999999999995 111.739 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.16 119.42 26.42 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.204 -0.453 . . . . 72.219999999999999 111.508 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.5 mt . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 121.092 0.472 . . . . 64.019999999999996 111.825 179.502 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.488 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 4.2 m-20 . . . . . 0 CA--C 1.541 0.617 0 N-CA-C 112.393 0.516 . . . . 70.230000000000004 112.393 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -123.93 154.49 39.68 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.16 -0.473 . . . . 73.109999999999999 109.793 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.3 tp -75.94 103.89 6.22 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.257 0.551 . . . . 72.439999999999998 111.419 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.18 151.66 19.6 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.887 -0.597 . . . . 75.519999999999996 111.944 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.47 129.58 6.29 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 121.375 -0.44 . . . . 74.439999999999998 113.098 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.51 HD12 HD22 ' B' ' 49' ' ' LEU . 45.9 mt -115.07 148.7 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 120.72 0.295 . . . . 72.409999999999997 111.367 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -120.96 118.18 29.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.707 0.289 . . . . 73.420000000000002 110.488 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.504 HD12 HD12 ' B' ' 66' ' ' LEU . 39.2 mt -118.43 118.49 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-N 116.522 -0.308 . . . . 74.140000000000001 111.303 -175.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.55 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 81.0 t -118.34 116.85 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.405 0.622 . . . . 63.229999999999997 111.569 176.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.94 167.16 24.96 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.552 -0.749 . . . . 73.340000000000003 112.685 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.417 ' CD ' ' HZ3' ' B' ' 15' ' ' LYS . 18.1 pt-20 -76.84 143.27 39.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.736 0.643 . . . . 74.049999999999997 112.736 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.13 83.51 0.34 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.019 -0.537 . . . . 75.310000000000002 112.318 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.417 ' HZ3' ' CD ' ' B' ' 13' ' ' GLU . 37.1 mttp -104.15 163.26 12.52 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.615 0.969 . . . . 73.400000000000006 113.615 172.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -40.37 -35.57 0.44 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 113.561 -1.654 . . . . 61.030000000000001 114.488 -175.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -136.91 7.67 3.84 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.68 -0.772 . . . . 70.420000000000002 113.907 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.555 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 25.8 mmm -62.31 -51.01 69.35 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.364 0.505 . . . . 72.109999999999999 112.364 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 47.1 p -60.72 -36.05 77.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.883 0.373 . . . . 73.120000000000005 111.736 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -72.43 -45.64 58.7 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.135 0.493 . . . . 73.200000000000003 110.797 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.438 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.5 pt20 -69.47 -34.09 73.84 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.952 -0.567 . . . . 74.439999999999998 111.646 -176.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.403 ' O ' HG13 ' B' ' 26' ' ' ILE . 9.5 mm -62.29 -53.95 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 111.938 0.347 . . . . 65.019999999999996 111.938 -178.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' THR . . . . . 0.427 HG23 HG23 ' A' ' 23' ' ' THR . 4.2 m -73.44 -27.71 61.57 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.222 0.534 . . . . 73.109999999999999 110.265 178.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.496 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -61.72 -44.04 98.44 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.8 -0.636 . . . . 61.240000000000002 112.802 174.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 21' ' ' GLN . 73.2 t -68.62 -35.85 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 122.443 -0.445 . . . . 62.109999999999999 110.964 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.409 HG23 HD11 ' B' ' 49' ' ' LEU . 74.3 mt -59.31 -44.76 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 121.036 0.445 . . . . 74.310000000000002 111.474 175.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 55.5 p -60.94 -22.5 64.47 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.709 0.29 . . . . 73.099999999999994 111.295 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 61.0 mttp -82.89 3.81 28.21 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.524 0.565 . . . . 72.519999999999996 112.524 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -74.67 167.34 21.97 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.256 0.551 . . . . 73.239999999999995 112.112 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.76 -23.41 61.59 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.372 0.606 . . . . 71.400000000000006 111.239 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.53 HG22 HD11 ' B' ' 51' ' ' ILE . 7.8 t -91.85 156.57 17.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.731 -0.668 . . . . 74.109999999999999 112.396 -173.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -95.28 117.35 30.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.902 -0.59 . . . . 73.219999999999999 111.193 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.435 ' HA ' HG21 ' B' ' 51' ' ' ILE . 64.4 mt -52.85 108.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 116.104 -0.498 . . . . 73.329999999999998 111.571 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -83.4 -40.49 19.28 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.352 0.596 . . . . 73.129999999999995 110.307 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.493 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 88.5 m -152.16 132.35 13.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.743 -0.662 . . . . 70.209999999999994 110.702 173.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.674 HG22 ' HB3' ' A' ' 38' ' ' LEU . 9.8 tp -134.68 135.16 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.89 0.376 . . . . 61.030000000000001 110.522 176.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.522 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 85.4 t -127.7 145.35 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.344 -0.389 . . . . 65.219999999999999 110.584 178.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' A' ' 35' ' ' THR . 9.1 tt -144.29 110.61 5.51 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.491 -0.559 . . . . 74.219999999999999 109.491 170.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 1.3 p-10 -124.46 119.7 29.91 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.428 0.632 . . . . 74.340000000000003 111.703 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.572 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -104.56 132.3 50.96 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.439 -0.8 . . . . 74.329999999999998 111.952 -178.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -144.65 145.57 31.82 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.966 -0.561 . . . . 71.420000000000002 111.162 175.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 73.66 -32.24 0.24 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.62 0.768 . . . . 64.319999999999993 112.784 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.99 1.52 1.32 Allowed Glycine 0 CA--C 1.529 0.907 0 N-CA-C 112.176 -0.37 . . . . 70.340000000000003 112.176 -172.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 mt -126.36 155.97 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.081 0.552 . . . . 75.530000000000001 110.129 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.572 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 40.6 p90 -126.38 145.46 50.45 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.182 0.515 . . . . 74.200000000000003 111.546 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.499 ' HB ' HG21 ' B' ' 11' ' ' VAL . 0.9 OUTLIER -116.28 108.48 16.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.278 0.561 . . . . 73.349999999999994 111.581 174.5 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.549 ' SG ' HD12 ' B' ' 36' ' ' ILE . 43.6 t -89.03 123.07 33.0 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.31 -0.404 . . . . 74.510000000000005 111.292 176.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.522 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 15.3 m120 -104.74 112.15 25.14 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.818 0.342 . . . . 74.239999999999995 110.863 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.51 HD22 HD12 ' B' ' 8' ' ' ILE . 43.2 tp -99.11 126.0 44.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.058 0.392 . . . . 74.140000000000001 112.058 -177.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.431 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 62.0 mmm -123.29 106.96 11.15 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.959 0.409 . . . . 72.430000000000007 111.357 176.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.53 HD11 HG22 ' B' ' 31' ' ' THR . 2.7 pp -146.15 172.54 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.187 -0.46 . . . . 73.400000000000006 111.621 -177.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -97.01 136.12 38.03 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.059 0.457 . . . . 73.030000000000001 112.013 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 11.1 m -128.1 141.35 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.627 177.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' B' ' 54' ' ' LYS . 20.7 ptmt -68.37 -24.63 64.81 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.336 0.495 . . . . 74.510000000000005 112.336 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.42 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 0.2 OUTLIER -165.97 163.24 18.42 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.007 0.373 . . . . 63.549999999999997 112.007 178.234 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -55.16 -35.28 64.6 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.214 0.82 . . . . 74.129999999999995 113.214 -175.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.88 -36.91 85.89 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.222 0.534 . . . . 74.510000000000005 110.548 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 51.2 tptt -58.02 -44.4 87.26 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.986 -0.552 . . . . 70.200000000000003 110.711 173.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.04 -47.56 84.17 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.03 -0.532 . . . . 74.349999999999994 111.26 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' THR . . . . . 0.443 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 81.8 p -65.58 -28.32 69.06 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.925 0.393 . . . . 71.120000000000005 111.224 178.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 84.9 m -67.2 -41.22 86.19 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.916 0.389 . . . . 75.319999999999993 110.729 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.8 -39.45 88.98 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.158 -0.474 . . . . 73.420000000000002 111.11 176.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.598 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 64.0 mtt -51.04 -54.86 20.96 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.234 -0.439 . . . . 74.049999999999997 110.868 176.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -55.93 -43.21 77.19 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.926 -0.579 . . . . 73.310000000000002 111.284 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.497 ' HZ2' ' HB3' ' B' ' 65' ' ' LYS . 8.2 mtpm? -58.44 -37.01 74.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.217 0.532 . . . . 73.120000000000005 111.158 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.504 HD12 HD12 ' B' ' 10' ' ' ILE . 54.8 mt -79.3 -29.33 42.39 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.888 -0.596 . . . . 72.150000000000006 111.513 178.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' B' ' 63' ' ' MET . 70.7 mtp180 -73.74 -9.58 58.8 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.78 0.289 . . . . 74.400000000000006 111.78 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -72.32 -14.36 61.72 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 111.887 0.329 . . . . 72.230000000000004 111.887 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 50.5 t -82.22 120.63 34.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.073 0.463 . . . . 73.140000000000001 111.444 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -56.35 -34.71 66.87 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.772 0.656 . . . . 64.040000000000006 112.772 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . 0.555 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -75.76 -16.28 80.76 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 114.344 0.497 . . . . 63.329999999999998 114.344 -175.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 59.0 t -91.16 145.89 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 117.672 0.736 . . . . 74.120000000000005 111.462 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.41 -27.29 4.46 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.248 0.462 . . . . 63.140000000000001 112.248 174.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.55 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.3 p -118.85 126.29 51.47 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.083 0.401 . . . . 74.430000000000007 112.083 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' B' ' 67' ' ' ARG . 97.3 t -133.8 104.79 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 109.842 -0.429 . . . . 74.209999999999994 109.842 174.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -124.07 164.43 19.43 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.584 0.706 . . . . 72.409999999999997 112.812 -169.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.425 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 24.1 ttp85 -101.46 117.53 35.13 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.506 -0.77 . . . . 70.420000000000002 110.664 173.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.66 -53.89 29.08 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.083 0.401 . . . . 74.400000000000006 112.083 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' SER . . . . . 0.401 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 28.5 p 65.37 -62.42 0.22 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.887 0.875 . . . . 75.239999999999995 112.137 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -60.8 103.75 0.29 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.924 0.392 . . . . 75.519999999999996 111.096 174.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 79' ' ' SER . 78.8 mt . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 121.061 0.458 . . . . 63.539999999999999 111.868 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 121.164 0.507 . . . . 74.409999999999997 110.973 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 tp -80.85 103.05 10.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.776 -0.647 . . . . 72.120000000000005 110.462 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.489 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -93.09 138.56 31.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.858 -0.61 . . . . 65.040000000000006 111.896 -176.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.28 147.51 18.92 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 121.118 -0.563 . . . . 75.140000000000001 113.192 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.4 mt -133.32 140.09 47.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 O-C-N 122.663 -0.316 . . . . 74.140000000000001 110.503 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HB2' HD23 ' A' ' 78' ' ' LEU . 79.6 ttt180 -116.18 122.99 46.68 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.131 -0.355 . . . . 74.019999999999996 110.947 175.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.505 HD11 HD13 ' A' ' 66' ' ' LEU . 34.2 mt -111.27 116.77 53.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 116.326 -0.397 . . . . 74.209999999999994 110.878 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.621 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 69.3 t -121.03 117.87 54.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 121.773 0.797 . . . . 74.140000000000001 111.306 176.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.47 164.48 27.69 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 115.335 -0.848 . . . . 75.049999999999997 112.036 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.85 135.41 46.6 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 117.141 0.471 . . . . 75.129999999999995 111.27 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.22 90.9 0.15 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.013 0.435 . . . . 75.239999999999995 111.52 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.587 ' O ' ' N ' ' A' ' 17' ' ' GLY . 31.5 mmmt -103.35 127.79 50.6 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.324 -0.398 . . . . 74.140000000000001 111.672 176.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 47.97 -73.94 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.675 0 O-C-N 124.327 1.017 . . . . 74.329999999999998 113.377 164.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -155.15 34.55 0.66 Allowed Glycine 0 CA--C 1.527 0.83 0 CA-C-N 115.498 -0.774 . . . . 73.230000000000004 112.357 -177.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.546 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 67.9 mtp -64.71 -43.99 91.68 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.497 -0.413 . . . . 75.120000000000005 111.801 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.3 p -53.37 -29.89 36.77 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.059 0.457 . . . . 72.239999999999995 111.351 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.53 ' HA ' HD11 ' B' ' 33' ' ' ILE . 12.0 m120 -77.08 -49.54 15.08 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.123 -0.49 . . . . 72.329999999999998 111.217 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.546 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.7 pt20 -69.88 -38.73 76.46 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.314 -0.403 . . . . 74.400000000000006 111.662 -177.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.455 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 13.2 mm -55.84 -54.39 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 121.08 0.466 . . . . 72.530000000000001 111.603 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 m -74.74 -27.75 60.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.228 -0.442 . . . . 74.510000000000005 110.537 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.27 -48.51 85.61 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.182 -0.532 . . . . 52.43 112.568 174.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 21' ' ' GLN . 66.8 t -60.14 -39.38 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 120.915 0.388 . . . . 72.430000000000007 110.995 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.449 HG22 HD13 ' A' ' 49' ' ' LEU . 72.4 mt -60.22 -40.82 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 116.162 -0.472 . . . . 74.329999999999998 111.506 175.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.51 ' HB3' ' O ' ' B' ' 20' ' ' ASN . 4.7 m -52.9 -41.23 64.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.353 0.596 . . . . 71.129999999999995 111.463 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.761 ' HZ1' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -97.63 26.77 4.77 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.587 -0.733 . . . . 74.409999999999997 112.381 -176.339 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -75.73 168.99 18.99 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.681 0.753 . . . . 62.450000000000003 112.12 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.595 ' HB3' ' HZ1' ' A' ' 58' ' ' LYS . 38.3 t70 -85.54 35.31 0.6 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.341 -0.845 . . . . 62.329999999999998 110.833 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.5 t -153.69 157.92 40.26 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.107 0.479 . . . . 73.340000000000003 111.583 175.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -91.28 118.17 30.27 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.897 0.379 . . . . 71.109999999999999 112.005 -176.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.467 ' HA ' HG22 ' A' ' 51' ' ' ILE . 61.3 mt -59.79 109.93 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.516 -0.311 . . . . 70.299999999999997 111.042 177.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -34.45 15.51 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.215 0.531 . . . . 71.340000000000003 110.568 177.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 16.3 m -153.97 147.61 25.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 74.200000000000003 110.199 175.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.565 HG22 ' HB3' ' B' ' 38' ' ' LEU . 19.6 tt -160.99 135.42 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.062 0.458 . . . . 74.430000000000007 111.373 174.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.458 HG12 HG22 ' B' ' 37' ' ' VAL . 60.4 t -133.85 105.11 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 111.363 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.54 ' HB3' HG23 ' B' ' 36' ' ' ILE . 9.0 tt -106.05 134.03 49.83 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 110.192 -0.299 . . . . 75.510000000000005 110.192 175.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -147.85 134.57 19.97 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.976 0.417 . . . . 71.129999999999995 110.975 173.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.671 ' HB1' ' HD3' ' B' ' 34' ' ' ARG . . . -99.76 128.59 45.85 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.046 0.45 . . . . 74.439999999999998 111.346 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -148.84 146.74 28.11 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.876 -0.602 . . . . 75.329999999999998 110.917 -175.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 57.85 26.59 13.44 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.362 0.601 . . . . 71.219999999999999 111.975 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.06 -11.21 70.07 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 121.996 -0.44 . . . . 73.319999999999993 113.141 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mt -108.65 178.46 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 122.791 0.436 . . . . 71.230000000000004 109.986 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.561 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 38.9 p90 -142.06 149.28 39.72 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 122.042 -0.411 . . . . 75.340000000000003 110.862 169.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 5.1 t -124.72 109.75 13.51 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.125 0.488 . . . . 62.030000000000001 111.208 175.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.0 t -98.64 112.83 24.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.185 -0.461 . . . . 63.420000000000002 111.09 177.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.463 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 2.8 m-20 -98.28 109.03 21.85 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.342 -0.39 . . . . 74.299999999999997 111.233 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.449 HD13 HG22 ' A' ' 26' ' ' ILE . 50.1 tp -98.18 137.85 36.33 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.834 0.349 . . . . 73.310000000000002 111.893 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.535 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 67.7 mmm -129.68 111.89 13.12 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 116.412 -0.358 . . . . 73.310000000000002 111.12 176.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.467 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.7 pp -142.48 160.66 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-N 116.419 -0.355 . . . . 75.439999999999998 111.744 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -92.83 142.08 27.72 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.349 0.5 . . . . 73.510000000000005 112.349 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 m -142.12 152.85 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 115.859 -0.61 . . . . 73.099999999999994 110.838 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 12.9 ptmm? -73.37 -38.74 65.58 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.286 0.476 . . . . 73.450000000000003 112.286 176.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.461 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -157.17 162.19 39.34 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 111.729 0.27 . . . . 72.540000000000006 111.729 179.629 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.9 p -55.6 -33.01 63.57 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.826 1.047 . . . . 73.019999999999996 113.826 -171.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.3 -37.71 75.58 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.711 0.767 . . . . 72.129999999999995 110.472 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.595 ' HZ1' ' HB3' ' A' ' 30' ' ' ASP . 50.4 tptt -63.03 -39.91 96.15 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.93 -1.032 . . . . 73.120000000000005 111.219 175.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.489 HD21 ' HB1' ' A' ' 6' ' ' ALA . 67.7 tp -70.57 -46.49 63.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.94 0.4 . . . . 75.439999999999998 111.968 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.8 p -59.51 -28.34 66.97 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.406 -0.361 . . . . 73.340000000000003 111.75 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.421 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 96.8 m -59.34 -41.73 89.86 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.986 0.422 . . . . 74.129999999999995 111.018 175.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.63 -40.09 92.16 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.049 -0.523 . . . . 63.450000000000003 111.409 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.419 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 60.0 mtt -51.67 -52.43 48.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.135 0.493 . . . . 75.329999999999998 110.948 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.91 -44.29 86.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.772 -0.649 . . . . 64.439999999999998 111.101 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.467 ' HZ1' ' HB3' ' A' ' 65' ' ' LYS . 8.2 mtpm? -58.06 -37.07 73.74 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.102 0.477 . . . . 75.239999999999995 111.702 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.505 HD13 HD11 ' A' ' 10' ' ' ILE . 54.9 mt -79.44 -30.95 42.45 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.106 0.479 . . . . 74.540000000000006 111.577 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 63' ' ' MET . 86.6 mtt180 -71.8 -6.83 44.41 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.305 0.484 . . . . 74.109999999999999 112.305 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -72.07 -16.54 62.03 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.934 0.346 . . . . 73.129999999999995 111.934 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.41 HG22 ' CD1' ' A' ' 22' ' ' ILE . 94.6 t -76.42 119.53 24.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 121.451 0.643 . . . . 71.540000000000006 111.939 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -51.55 -30.27 20.05 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.746 1.017 . . . . 72.420000000000002 113.746 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.05 -5.49 60.82 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 114.627 0.611 . . . . 64.340000000000003 114.627 -174.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.4 t -94.51 133.48 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 117.955 0.877 . . . . 74.049999999999997 111.581 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -117.57 -8.96 10.88 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.727 0.64 . . . . 71.420000000000002 112.727 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.621 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.6 p -135.19 124.29 24.36 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.159 0.504 . . . . 71.120000000000005 111.676 175.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' ' 66' ' ' LEU . 52.7 t -140.48 103.1 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 109.279 -0.637 . . . . 75.329999999999998 109.279 171.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -134.31 167.59 20.43 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.335 0.494 . . . . 74.219999999999999 112.335 -171.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 ttp85 -88.87 136.14 33.17 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.407 0.622 . . . . 74.230000000000004 111.945 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.441 HD23 ' HB2' ' A' ' 9' ' ' ARG . 98.0 mt -88.39 114.79 25.37 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.829 -0.623 . . . . 74.329999999999998 110.474 173.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.1 p -85.25 -65.35 1.02 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.061 0.458 . . . . 72.530000000000001 111.465 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -75.22 98.43 3.76 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.224 -0.444 . . . . 54.43 111.05 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 112.483 0.549 . . . . 74.109999999999999 112.483 -174.788 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 121.16 0.505 . . . . 62.200000000000003 111.21 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -129.97 154.76 47.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.84 -0.429 . . . . 72.230000000000004 109.84 175.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 46.0 tp -79.56 102.98 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.321 0.581 . . . . 74.549999999999997 110.806 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.96 142.79 27.06 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.682 -0.69 . . . . 75.010000000000005 111.86 -177.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.34 136.8 13.13 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 121.381 -0.438 . . . . 73.409999999999997 112.828 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.597 HD13 HD22 ' B' ' 49' ' ' LEU . 48.7 mt -124.04 143.89 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 121.015 0.436 . . . . 72.420000000000002 111.118 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -117.55 117.8 30.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.924 0.392 . . . . 75.5 110.902 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.509 ' O ' ' HA ' ' B' ' 46' ' ' THR . 40.9 mt -112.02 117.75 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 116.285 -0.416 . . . . 72.329999999999998 111.075 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.589 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 50.4 t -122.15 113.77 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 121.442 0.639 . . . . 73.239999999999995 111.415 176.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.72 172.19 23.45 Favored Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.471 -0.786 . . . . 42.119999999999997 112.498 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.56 134.98 43.89 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.216 0.531 . . . . 74.219999999999999 112.211 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -70.1 117.63 11.92 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.339 -0.391 . . . . 74.109999999999999 110.947 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.433 ' HB2' ' CG ' ' B' ' 18' ' ' MET . 47.9 mtpt -143.17 174.9 10.29 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.891 1.071 . . . . 75.219999999999999 113.891 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -31.57 -36.72 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 113.424 -1.716 . . . . 74.420000000000002 115.158 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.41 29.97 0.46 Allowed Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.628 -0.796 . . . . 63.420000000000002 113.343 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.443 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 48.8 mmm -73.43 -50.97 18.97 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.37 0.507 . . . . 73.510000000000005 112.37 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -63.55 -27.07 69.01 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.316 0.579 . . . . 74.109999999999999 110.726 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.51 ' O ' ' HB3' ' A' ' 27' ' ' SER . 15.0 m120 -76.04 -48.52 20.58 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.582 -0.736 . . . . 61.439999999999998 111.048 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.42 ' O ' HG21 ' B' ' 25' ' ' VAL . 9.0 pt20 -66.29 -39.42 89.37 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.847 0.356 . . . . 74.519999999999996 111.706 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.502 ' O ' HG12 ' B' ' 26' ' ' ILE . 13.2 mm -59.19 -54.12 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 112.485 0.55 . . . . 75.430000000000007 112.485 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 22.4 m -70.6 -27.37 64.04 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.107 0.479 . . . . 73.219999999999999 110.728 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.9 -45.57 96.29 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.128 -0.558 . . . . 73.319999999999993 111.911 171.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.42 HG21 ' O ' ' B' ' 21' ' ' GLN . 92.5 t -62.34 -34.35 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 120.824 0.345 . . . . 73.310000000000002 111.327 175.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.763 HD12 HD23 ' B' ' 49' ' ' LEU . 49.9 mm -58.53 -44.32 88.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-O 120.94 0.4 . . . . 73.150000000000006 111.331 176.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 54.8 p -63.61 -21.47 66.38 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.955 0.407 . . . . 71.25 111.467 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' B' ' 25' ' ' VAL . 26.7 mtpp -79.87 -4.88 54.16 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 116.2 -0.454 . . . . 73.329999999999998 112.081 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -69.38 169.21 12.8 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.025 0.75 . . . . 74.439999999999998 113.025 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.24 -12.48 60.0 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.396 -0.82 . . . . 74.200000000000003 111.597 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -115.77 172.19 7.29 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.142 0.793 . . . . 74.439999999999998 113.142 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . 0.48 ' O ' HG22 ' B' ' 51' ' ' ILE . 22.6 t-20 -97.87 129.77 44.8 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.564 -0.744 . . . . 74.140000000000001 111.572 -174.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.53 HD11 ' HA ' ' A' ' 20' ' ' ASN . 66.6 mt -69.81 98.81 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.028 0.442 . . . . 73.329999999999998 110.976 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ARG . . . . . 0.671 ' HD3' ' HB1' ' A' ' 40' ' ' ALA . 5.4 tpp180 -83.45 -30.59 27.14 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.267 0.556 . . . . 74.530000000000001 110.738 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' THR . . . . . 0.537 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 9.7 m -156.77 148.6 22.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.862 -0.608 . . . . 72.340000000000003 110.267 173.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.54 HG23 ' HB3' ' A' ' 38' ' ' LEU . 17.4 tt -157.23 133.29 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-O 120.956 0.408 . . . . 75.219999999999999 111.38 173.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.458 HG22 HG12 ' A' ' 37' ' ' VAL . 77.1 t -130.0 104.38 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 116.269 -0.423 . . . . 73.310000000000002 111.433 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.565 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.8 tt -110.16 131.69 54.83 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.211 -0.305 . . . . 74.409999999999997 110.658 177.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -147.96 145.71 28.68 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.551 -0.295 . . . . 74.420000000000002 110.668 173.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -114.45 120.23 39.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.193 0.521 . . . . 73.340000000000003 111.723 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.84 152.27 46.36 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.999 -0.546 . . . . 74.140000000000001 110.112 176.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 63.53 16.7 9.82 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 112.082 0.401 . . . . 71.109999999999999 112.082 -178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.25 12.79 81.79 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 121.136 -0.554 . . . . 62.219999999999999 112.801 -175.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.1 mt -131.37 155.58 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 122.952 0.501 . . . . 75.329999999999998 109.723 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.4 p90 -124.23 145.8 49.13 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.943 -0.473 . . . . 74.230000000000004 111.39 179.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.509 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 2.5 t -120.27 108.87 14.7 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.146 -0.479 . . . . 52.140000000000001 111.009 174.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' CYS . . . . . 0.426 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.2 t -95.84 105.72 17.76 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.144 0.497 . . . . 74.450000000000003 111.459 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 14.5 m120 -83.32 107.81 16.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.964 -0.562 . . . . 61.409999999999997 110.999 176.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.763 HD23 HD12 ' B' ' 26' ' ' ILE . 57.1 tp -98.68 134.55 41.44 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.857 0.36 . . . . 64.129999999999995 111.855 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.537 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 65.8 mmm -126.05 110.82 13.99 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.958 0.409 . . . . 73.219999999999999 110.908 175.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.48 HG22 ' O ' ' B' ' 32' ' ' ASN . 2.3 pp -140.55 164.42 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 111.632 -177.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -97.17 130.76 44.38 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 120.752 0.311 . . . . 75.519999999999996 111.752 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.92 148.2 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 120.974 0.416 . . . . 74.530000000000001 111.247 177.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.432 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 17.8 ptpt -74.91 -35.49 62.21 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.558 0.577 . . . . 74.420000000000002 112.558 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.432 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 48.1 m-80 -136.7 151.16 48.95 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 122.178 -0.326 . . . . 71.239999999999995 111.103 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.9 p -62.34 -20.21 64.15 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.999 0.428 . . . . 75.430000000000007 110.969 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.36 -41.43 73.12 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.655 0.74 . . . . 74.310000000000002 109.629 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -59.6 -37.83 79.62 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.995 -1.002 . . . . 75.099999999999994 110.765 173.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 50.1 tp -67.98 -48.45 65.76 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.953 -0.567 . . . . 72.209999999999994 111.629 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 69.4 p -60.51 -40.06 90.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.725 0.298 . . . . 73.310000000000002 110.84 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 85.6 m -53.06 -45.52 68.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.082 -0.508 . . . . 74.209999999999994 111.527 175.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 47.5 mt -59.91 -47.56 85.26 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.845 0.355 . . . . 75.430000000000007 111.476 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.523 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 79.5 mtm -59.43 -39.33 83.17 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.5 -0.318 . . . . 64.019999999999996 111.179 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.24 -47.91 82.06 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.027 0.442 . . . . 73.129999999999995 111.206 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.509 ' HB3' ' HZ3' ' B' ' 65' ' ' LYS . 8.6 mtpm? -54.86 -40.29 69.52 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.921 -0.581 . . . . 73.310000000000002 111.578 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.506 ' HB2' HG11 ' B' ' 75' ' ' VAL . 67.1 mt -75.17 -29.68 60.5 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.979 -0.555 . . . . 74.25 111.87 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' B' ' 63' ' ' MET . 98.8 mtt180 -70.92 -8.29 51.92 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 120.719 0.295 . . . . 75.530000000000001 111.74 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -83.43 2.83 34.7 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.063 0.459 . . . . 75.140000000000001 111.361 176.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.445 HG12 HD11 ' B' ' 22' ' ' ILE . 62.9 t -88.62 116.74 30.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 116.352 -0.385 . . . . 71.140000000000001 110.782 176.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -64.99 -13.71 58.42 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.729 0.64 . . . . 54.229999999999997 112.729 -173.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . 0.443 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -93.46 -10.85 58.89 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 121.042 -0.599 . . . . 71.5 113.811 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 94.8 t -105.07 134.03 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 O-C-N 122.252 -0.557 . . . . 64.530000000000001 111.691 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.9 -16.36 13.56 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.542 0.571 . . . . 75.209999999999994 112.542 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' THR . . . . . 0.589 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.1 p -132.4 123.62 27.09 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.166 0.507 . . . . 72.519999999999996 111.825 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.506 HG11 ' HB2' ' B' ' 66' ' ' LEU . 25.4 t -136.01 103.5 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.95 -0.759 . . . . 73.209999999999994 108.95 171.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -133.99 160.16 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.273 0.558 . . . . 71.439999999999998 112.165 -168.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -83.48 148.86 26.99 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.881 -0.599 . . . . 72.200000000000003 112.143 -176.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.5 mt -104.0 128.66 51.57 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.027 -0.533 . . . . 71.209999999999994 110.814 175.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 79.3 p -97.83 -39.84 8.82 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.924 0.392 . . . . 75.530000000000001 111.662 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -101.07 129.78 47.0 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.954 0.407 . . . . 65.099999999999994 111.18 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 120.884 0.373 . . . . 74.239999999999995 111.537 -177.887 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 121.077 0.465 . . . . 75.25 110.641 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 23.2 m -82.16 157.55 23.97 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.175 -0.466 . . . . 72.349999999999994 111.651 -176.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.509 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 14.2 t70 -172.42 121.05 0.42 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.014 0.435 . . . . 75.219999999999999 110.122 172.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -132.08 157.94 42.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.134 0.492 . . . . 74.430000000000007 111.403 -175.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 51' ' ' ILE . 58.9 tp -79.13 102.69 8.6 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.87 -0.604 . . . . 74.209999999999994 110.578 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.44 ' HB1' HD12 ' A' ' 59' ' ' LEU . . . -93.71 128.72 40.05 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.88 -0.6 . . . . 71.120000000000005 112.112 -177.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.33 144.06 15.74 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.294 -0.412 . . . . 53.340000000000003 113.008 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.5 mt -133.0 138.84 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 122.626 0.37 . . . . 73.109999999999999 110.973 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -116.49 119.23 34.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.165 0.507 . . . . 75.239999999999995 111.525 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.568 HD13 HD13 ' A' ' 66' ' ' LEU . 43.6 mt -113.4 120.0 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.826 -0.624 . . . . 74.310000000000002 111.286 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.593 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.7 t -118.46 117.18 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 121.504 0.669 . . . . 75.5 111.193 173.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.53 169.19 23.89 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.578 -0.737 . . . . 62.32 112.153 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -73.2 131.16 41.67 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.096 0.474 . . . . 74.420000000000002 111.725 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.04 85.59 0.05 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.465 0.65 . . . . 71.530000000000001 110.951 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -106.67 159.14 16.43 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 114.38 1.252 . . . . 73.329999999999998 114.38 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.06 73.99 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 112.805 -1.998 . . . . 74.209999999999994 112.212 174.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.56 -22.9 3.86 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 115.473 -0.785 . . . . 73.430000000000007 114.037 173.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.474 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 49.5 mmm -55.24 -51.44 66.61 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.939 0.718 . . . . 74.140000000000001 112.939 -176.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -57.37 -31.44 65.78 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.003 0.371 . . . . 64.310000000000002 112.003 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -76.33 -48.54 19.67 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.06 0.457 . . . . 74.450000000000003 110.92 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.474 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.1 pt20 -66.93 -37.5 84.45 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.063 -0.517 . . . . 74.040000000000006 111.661 -176.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 22' ' ' ILE . 12.3 mm -59.37 -54.24 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 112.495 0.554 . . . . 74.340000000000003 112.495 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.3 m -73.9 -27.42 61.04 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.213 0.53 . . . . 72.400000000000006 110.503 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.81 -39.0 96.18 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 121.219 -0.515 . . . . 74.340000000000003 112.355 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 21' ' ' GLN . 64.5 t -67.09 -40.38 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.873 0.368 . . . . 73.349999999999994 111.198 174.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.443 HG23 HD12 ' A' ' 49' ' ' LEU . 70.8 mt -55.13 -46.31 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.061 -0.518 . . . . 74.340000000000003 112.099 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.3 p -59.39 -20.88 58.29 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.984 0.365 . . . . 61.32 111.984 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -80.27 -5.57 56.46 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.541 0.571 . . . . 74.510000000000005 112.541 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -70.57 166.89 19.65 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.313 0.578 . . . . 71.230000000000004 112.439 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -84.36 11.51 8.32 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.063 -0.517 . . . . 64.230000000000004 111.825 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 t -124.65 155.86 38.49 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.135 0.493 . . . . 74.140000000000001 112.209 -175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -90.58 130.44 36.61 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.137 -0.483 . . . . 72.129999999999995 111.691 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.479 ' HA ' HG21 ' A' ' 51' ' ' ILE . 66.6 mt -68.07 113.1 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.051 -0.522 . . . . 74.409999999999997 111.269 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -88.4 -35.61 17.02 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.33 0.586 . . . . 73.420000000000002 110.387 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 89.7 m -158.15 132.28 8.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.67 -0.695 . . . . 73.299999999999997 110.884 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.722 HD13 ' SG ' ' A' ' 47' ' ' CYS . 10.1 tp -131.64 128.17 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 110.189 -0.3 . . . . 72.319999999999993 110.189 175.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.563 HG21 HG11 ' B' ' 37' ' ' VAL . 62.5 t -130.23 103.4 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.962 0.41 . . . . 64.120000000000005 111.521 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.596 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.8 tt -110.37 130.32 55.58 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.804 -0.443 . . . . 75.140000000000001 109.804 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.441 ' HB3' HG22 ' B' ' 35' ' ' THR . 0.2 OUTLIER -151.79 139.26 19.54 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.092 0.473 . . . . 72.519999999999996 112.034 174.44 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -94.92 145.69 24.74 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.766 -0.652 . . . . 74.540000000000006 110.416 178.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -116.69 -74.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.931 0.872 . . . . 73.310000000000002 112.566 -171.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -136.9 80.91 1.84 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.849 -1.069 . . . . 54.119999999999997 110.236 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.71 -2.78 14.78 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 120.94 -0.648 . . . . 73.109999999999999 113.101 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -124.22 159.54 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 109.662 -0.496 . . . . 75.439999999999998 109.662 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.515 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 31.3 p90 -133.24 140.98 47.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 70.329999999999998 110.524 176.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.538 ' HB ' HG21 ' A' ' 11' ' ' VAL . 6.2 t -118.28 117.9 30.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.075 0.464 . . . . 75.420000000000002 111.408 174.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.722 ' SG ' HD13 ' A' ' 36' ' ' ILE . 45.3 t -105.63 124.21 49.18 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.049 -0.523 . . . . 70.409999999999997 111.075 176.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -105.74 117.0 32.89 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.636 0.255 . . . . 74.430000000000007 110.763 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD12 HG23 ' A' ' 26' ' ' ILE . 52.7 tp -98.8 128.09 44.92 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.027 0.442 . . . . 73.340000000000003 111.921 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.453 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.3 mmm -120.58 109.66 15.51 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.1 -0.5 . . . . 72.140000000000001 110.847 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.479 HG21 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -140.08 176.57 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 116.002 -0.544 . . . . 64.420000000000002 111.523 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -109.6 143.99 38.54 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.059 0.457 . . . . 73.439999999999998 111.636 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 19.3 m -143.03 141.61 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 116.275 -0.42 . . . . 72.329999999999998 110.375 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 2' ' ' THR . 53.6 mttm -68.46 -45.88 71.27 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.58 0.705 . . . . 74.310000000000002 111.508 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -128.52 147.97 50.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.493 -0.776 . . . . 64.030000000000001 111.084 -170.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.9 p -61.62 -26.38 67.95 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.012 0.434 . . . . 74.310000000000002 111.184 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.01 -40.46 87.31 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.837 0.827 . . . . 73.109999999999999 109.739 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -59.45 -31.39 69.26 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.15 -0.932 . . . . 73.319999999999993 111.131 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.44 HD12 ' HB1' ' A' ' 6' ' ' ALA . 39.4 tp -76.56 -48.32 19.69 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.431 -0.349 . . . . 74.230000000000004 111.609 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -59.54 -30.63 68.75 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.133 0.492 . . . . 71.329999999999998 110.953 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 90.8 m -63.95 -39.4 94.07 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.789 -0.642 . . . . 73.5 111.501 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.83 -39.58 89.57 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.79 0.328 . . . . 72.219999999999999 111.137 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.611 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 56.8 mtt -54.75 -55.08 33.78 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.388 -0.369 . . . . 74.400000000000006 110.541 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -54.36 -36.38 63.79 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.883 -0.598 . . . . 74.549999999999997 111.627 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -65.54 -40.92 93.46 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.105 -0.498 . . . . 75.439999999999998 111.671 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.568 HD13 HD13 ' A' ' 10' ' ' ILE . 64.7 mt -77.34 -30.77 54.09 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.127 0.489 . . . . 72.209999999999994 111.836 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 63' ' ' MET . 76.3 mtp180 -71.27 -7.62 48.16 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.202 -0.454 . . . . 72.420000000000002 112.074 -178.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -71.51 -9.75 58.69 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.078 0.399 . . . . 73.400000000000006 112.078 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -92.46 118.32 37.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.215 0.531 . . . . 74.540000000000006 111.778 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -60.7 -28.42 68.63 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.709 -0.678 . . . . 74.010000000000005 112.498 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.31 -16.67 79.75 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.127 -0.559 . . . . 74.420000000000002 113.761 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 93.8 t -94.56 139.78 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 117.214 0.507 . . . . 73.329999999999998 111.405 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.16 -14.16 8.41 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.552 0.575 . . . . 75.230000000000004 112.552 177.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.593 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.6 p -131.26 124.0 29.58 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.803 -0.561 . . . . 72.430000000000007 111.644 175.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.2 t -132.06 103.32 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 116.138 -0.483 . . . . 64.310000000000002 109.781 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -124.27 165.68 17.21 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.627 0.602 . . . . 73.239999999999995 112.627 -170.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.501 HH11 ' HG3' ' A' ' 77' ' ' ARG . 15.8 ttt85 -97.49 132.82 42.82 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.876 -0.602 . . . . 75.430000000000007 111.424 174.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 98.4 mt -89.81 103.02 15.72 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.97 0.414 . . . . 75.540000000000006 110.72 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.1 p -81.38 -60.88 2.11 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.862 0.363 . . . . 75.239999999999995 111.504 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -69.86 105.15 2.69 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.326 0.584 . . . . 75.340000000000003 111.18 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.4 mt -108.22 149.21 28.87 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.284 0.564 . . . . 73.209999999999994 112.132 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -91.77 12.29 21.83 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.602 0.715 . . . . 73.420000000000002 110.922 175.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -85.54 86.43 7.37 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.85 -0.614 . . . . 73.349999999999994 111.775 -173.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -74.89 83.84 2.2 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.299 0.571 . . . . 74.310000000000002 111.008 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -99.71 96.88 7.91 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.949 -0.568 . . . . 74.219999999999999 110.766 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -138.4 -173.39 3.52 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.05 0.453 . . . . 75.109999999999999 111.736 -177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -128.46 136.64 51.1 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.308 -0.405 . . . . 63.130000000000003 110.43 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.789 -0.624 . . . . 72.25 111.459 -179.742 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.646 ' HG3' ' H ' ' B' ' 2' ' ' THR . 11.8 ptm . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 111.564 0.209 . . . . 72.230000000000004 111.564 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.646 ' H ' ' HG3' ' B' ' 1' ' ' MET . 12.6 t -74.33 -26.58 60.24 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.831 0.824 . . . . 73.420000000000002 109.448 171.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 11.5 p-10 -88.7 146.5 25.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.429 -1.26 . . . . 70.209999999999994 111.549 178.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -155.19 157.89 38.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.954 0.407 . . . . 73.319999999999993 110.836 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 43.8 tp -79.34 102.99 8.96 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.082 0.468 . . . . 72.030000000000001 111.139 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.61 148.16 22.35 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.179 -0.464 . . . . 75.310000000000002 111.526 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.77 141.38 14.94 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.308 -0.473 . . . . 75.510000000000005 113.5 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.466 HD12 HD21 ' B' ' 49' ' ' LEU . 48.3 mt -129.62 149.22 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 122.953 0.501 . . . . 75.319999999999993 110.162 176.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.529 ' HB3' ' HG3' ' B' ' 76' ' ' GLU . 43.7 ttt-85 -130.23 119.88 23.6 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.795 0.331 . . . . 64.129999999999995 110.7 177.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.563 HD11 HD13 ' B' ' 66' ' ' LEU . 43.6 mt -113.19 117.1 54.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 116.473 -0.331 . . . . 71.239999999999995 111.348 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.617 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 43.3 t -115.5 113.83 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.759 0.79 . . . . 72.540000000000006 111.066 174.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.44 171.67 22.48 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 115.277 -0.874 . . . . 72.209999999999994 112.018 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.46 132.13 46.47 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.28 0.562 . . . . 74.5 112.008 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -73.19 87.16 1.43 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.195 0.521 . . . . 63.539999999999999 111.961 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -105.21 156.11 18.42 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.757 1.021 . . . . 73.430000000000007 113.757 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.32 69.01 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 113.937 -1.483 . . . . 74.409999999999997 112.006 173.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.79 -36.51 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 CA-C-N 115.509 -0.769 . . . . 71.019999999999996 112.894 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.507 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 63.3 mmm -54.41 -51.12 65.91 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.736 0.643 . . . . 74.349999999999994 112.736 -179.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 75.5 p -58.49 -31.92 68.31 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.956 0.408 . . . . 53.109999999999999 111.812 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -76.53 -48.78 18.28 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.345 -0.389 . . . . 72.099999999999994 111.079 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.507 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 10.0 pt20 -65.73 -39.96 91.69 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.158 -0.474 . . . . 63.520000000000003 111.362 -177.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.401 HG13 ' CZ ' ' B' ' 45' ' ' PHE . 12.9 mm -60.08 -53.95 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 112.373 0.509 . . . . 74.439999999999998 112.373 -177.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 19.1 m -71.82 -27.12 62.7 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.115 0.483 . . . . 72.430000000000007 110.367 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.29 91.77 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 121.127 -0.559 . . . . 72.420000000000002 112.462 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.477 HG21 ' O ' ' B' ' 21' ' ' GLN . 95.1 t -59.12 -39.46 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.382 0.611 . . . . 73.140000000000001 110.928 174.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.453 HG23 HD13 ' B' ' 49' ' ' LEU . 71.5 mt -64.57 -43.74 96.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 115.945 -0.571 . . . . 73.420000000000002 112.008 177.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 84.5 p -65.72 -22.76 66.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.003 0.372 . . . . 72.209999999999994 112.003 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -97.46 13.19 30.71 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 111.934 0.346 . . . . 72.239999999999995 111.934 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -66.33 179.2 1.02 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.696 0.76 . . . . 75.030000000000001 111.931 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -26.23 34.85 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.395 -0.82 . . . . 72.340000000000003 110.944 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.5 t -96.0 171.26 8.74 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.549 -0.75 . . . . 62.049999999999997 112.661 -173.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -99.95 131.97 45.59 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.308 -0.406 . . . . 64.120000000000005 111.268 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.463 ' HA ' HG22 ' B' ' 51' ' ' ILE . 58.5 mt -81.9 105.7 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.448 -0.342 . . . . 75.400000000000006 111.884 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.06 -23.34 22.57 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.99 -0.443 . . . . 73.25 111.747 178.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 18.6 m -156.09 144.4 19.94 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.645 0.259 . . . . 74.140000000000001 110.891 173.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 38' ' ' LEU . 20.3 tt -160.48 129.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.88 0.372 . . . . 74.140000000000001 111.031 173.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.563 HG11 HG21 ' A' ' 37' ' ' VAL . 59.9 t -128.88 104.0 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 120.863 0.363 . . . . 70.400000000000006 111.509 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.66 ' HB3' HG21 ' A' ' 36' ' ' ILE . 7.5 tt -106.19 125.07 50.54 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.534 -0.543 . . . . 65.519999999999996 109.534 174.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -136.03 120.98 18.71 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.208 0.528 . . . . 70.019999999999996 111.367 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -92.99 110.72 22.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.691 -0.686 . . . . 72.420000000000002 110.482 176.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' B' ' 43' ' ' GLY . 61.4 pttt -126.07 135.54 51.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.916 -0.584 . . . . 73.200000000000003 111.089 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.4 t70 70.11 -31.4 0.22 Allowed 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.213 0.819 . . . . 45.140000000000001 113.213 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' B' ' 41' ' ' LYS . . . 153.47 -8.18 0.46 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 122.169 -0.332 . . . . 74.349999999999994 112.623 -174.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.6 159.58 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 122.423 -0.457 . . . . 71.400000000000006 110.268 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.536 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 31.9 p90 -126.06 143.31 51.16 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.136 -0.352 . . . . 74.129999999999995 111.379 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.5 t -119.58 105.83 11.59 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.091 0.472 . . . . 73.239999999999995 111.251 174.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' B' ' 38' ' ' LEU . 44.1 t -95.09 105.84 17.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.003 0.43 . . . . 73.120000000000005 111.112 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.477 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 2.2 m-20 -91.04 110.01 21.27 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.223 -0.444 . . . . 63.119999999999997 110.9 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.466 HD21 HD12 ' B' ' 8' ' ' ILE . 40.9 tp -98.21 135.41 39.9 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.995 0.426 . . . . 70.530000000000001 111.941 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.746 ' HG3' ' HE2' ' B' ' 83' ' ' HIS . 61.5 mmm -129.87 113.06 14.19 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.341 -0.391 . . . . 75.109999999999999 111.254 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.463 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -143.55 160.32 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.147 -0.479 . . . . 60.130000000000003 111.844 -175.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -90.68 132.19 35.94 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.952 0.406 . . . . 72.349999999999994 111.636 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 23.2 m -124.83 155.9 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 116.363 -0.381 . . . . 74.420000000000002 111.272 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -82.78 -17.75 43.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.724 0.297 . . . . 74.230000000000004 111.797 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -166.99 169.04 13.34 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.023 0.439 . . . . 72.099999999999994 111.81 -176.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 56.2 p -69.82 -31.11 68.81 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.288 -0.414 . . . . 75.340000000000003 111.614 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.19 -36.58 84.52 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.622 0.725 . . . . 70.200000000000003 110.25 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -57.93 -44.3 86.8 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.312 -0.858 . . . . 75.120000000000005 110.965 173.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 52.5 tp -64.74 -46.68 81.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.094 -0.503 . . . . 72.310000000000002 111.467 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 82.5 p -63.49 -29.54 70.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.814 0.34 . . . . 72.400000000000006 111.546 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 98.8 m -65.81 -43.42 88.68 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.92 0.39 . . . . 75.299999999999997 111.516 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.1 -36.14 76.77 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.488 -0.324 . . . . 73.129999999999995 111.418 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.408 ' HE1' ' HB2' ' B' ' 77' ' ' ARG . 60.2 mtt -54.1 -51.4 64.29 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.996 0.427 . . . . 75.209999999999994 111.065 176.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.07 -36.51 81.88 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.028 -0.533 . . . . 72.549999999999997 111.297 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -63.11 -37.77 88.53 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.097 -0.501 . . . . 73.340000000000003 111.26 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.563 HD13 HD11 ' B' ' 10' ' ' ILE . 58.7 mt -77.86 -35.05 51.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.025 -0.534 . . . . 73.329999999999998 111.68 179.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -64.88 -6.83 9.17 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.371 0.508 . . . . 74.239999999999995 112.371 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -70.89 -13.87 62.18 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.884 0.373 . . . . 74.409999999999997 111.832 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 44.8 t -92.12 111.92 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 120.921 0.391 . . . . 74.549999999999997 111.205 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -58.37 -27.72 64.48 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.622 0.601 . . . . 74.430000000000007 112.622 -175.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.82 -23.32 75.77 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 121.215 -0.516 . . . . 74.329999999999998 113.513 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 84.0 t -88.44 135.91 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 122.468 -0.431 . . . . 75.340000000000003 111.395 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -116.09 -16.43 11.03 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.422 0.527 . . . . 61.329999999999998 112.422 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.617 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 4.6 p -129.81 119.15 22.91 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.169 0.509 . . . . 72.25 111.724 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.1 t -126.35 103.86 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.296 -0.631 . . . . 73.510000000000005 109.296 169.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.529 ' HG3' ' HB3' ' B' ' 9' ' ' ARG . 8.1 pt-20 -128.78 160.81 31.39 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.364 0.602 . . . . 72.120000000000005 112.542 -169.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.408 ' HB2' ' HE1' ' B' ' 63' ' ' MET . 20.0 ttp85 -90.98 144.55 25.55 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.777 -0.647 . . . . 74.099999999999994 111.95 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' B' ' 9' ' ' ARG . 98.5 mt -101.38 99.37 9.72 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.216 -0.447 . . . . 74.209999999999994 110.8 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 77.3 p -73.11 -57.8 3.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.276 0.56 . . . . 74.140000000000001 110.651 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -79.08 118.05 20.7 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.686 -0.688 . . . . 71.140000000000001 110.453 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 44.6 mt -95.72 166.6 11.74 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.945 0.878 . . . . 63.310000000000002 113.066 -174.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.97 20.24 17.92 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.65 -1.159 . . . . 75.409999999999997 111.545 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.746 ' HE2' ' HG3' ' B' ' 50' ' ' MET . 22.9 m-70 -98.37 103.1 15.02 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.257 0.551 . . . . 71.129999999999995 112.462 -171.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -163.42 175.07 11.15 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.444 -0.798 . . . . 73.430000000000007 110.501 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -49.07 123.82 7.83 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 111.91 0.337 . . . . 74.209999999999994 111.91 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 33.9 m170 71.62 95.86 0.07 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.626 0.77 . . . . 74.140000000000001 111.911 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -112.61 127.9 56.22 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.151 -0.477 . . . . 75.409999999999997 111.606 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 6.4 t60 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.638 -0.696 . . . . 74.349999999999994 110.609 175.462 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.3 ttm . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.745 0.307 . . . . 72.340000000000003 110.34 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 m -104.89 139.94 38.88 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.527 0.566 . . . . 75.310000000000002 112.527 -172.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.82 151.66 43.28 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.975 -0.557 . . . . 73.230000000000004 111.269 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -125.28 151.05 46.48 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.19 0.519 . . . . 74.430000000000007 111.022 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.3 tp -76.05 103.86 6.31 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.302 0.572 . . . . 73.239999999999995 111.276 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.432 ' HB3' HD21 ' A' ' 59' ' ' LEU . . . -98.12 142.29 29.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.748 -0.66 . . . . 72.040000000000006 111.858 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.52 149.67 18.25 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 121.257 -0.497 . . . . 73.120000000000005 113.054 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.405 HD12 HD23 ' A' ' 49' ' ' LEU . 28.5 mt -136.47 144.93 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 O-C-N 122.665 -0.315 . . . . 73.129999999999995 110.755 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.523 ' HB2' HD22 ' A' ' 78' ' ' LEU . 46.6 ttt180 -121.21 120.21 34.55 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.208 -0.308 . . . . 74.510000000000005 110.699 175.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.654 HD11 HD12 ' A' ' 66' ' ' LEU . 45.1 mt -109.59 117.08 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.373 -0.376 . . . . 74.329999999999998 111.247 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.634 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 70.6 t -119.97 115.43 47.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.58 0.705 . . . . 74.540000000000006 111.0 174.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.51 169.88 25.33 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 115.642 -0.708 . . . . 73.120000000000005 112.614 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -70.8 126.15 28.79 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.374 0.607 . . . . 62.439999999999998 111.412 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.66 102.21 5.27 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.413 -0.358 . . . . 73.349999999999994 111.14 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 18' ' ' MET . 0.0 OUTLIER -160.21 156.64 26.88 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.045 0.387 . . . . 71.540000000000006 112.045 178.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 52.98 26.6 4.85 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 112.916 0.71 . . . . 74.209999999999994 112.916 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.58 34.08 72.79 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.039 -0.6 . . . . 42.100000000000001 112.959 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 35.0 mtp -57.41 -31.84 66.24 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.171 0.434 . . . . 71.019999999999996 112.171 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.8 p -58.46 -40.79 83.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.755 0.312 . . . . 72.510000000000005 111.488 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.35 -48.7 69.37 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.228 0.537 . . . . 64.540000000000006 110.662 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.475 ' O ' HG22 ' A' ' 25' ' ' VAL . 8.9 pt20 -66.61 -37.66 85.35 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.73 -0.668 . . . . 73.530000000000001 111.329 -177.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.496 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 14.3 mm -61.74 -53.74 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 111.826 0.306 . . . . 72.430000000000007 111.826 -177.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.527 HG22 HG22 ' B' ' 23' ' ' THR . 6.2 m -72.94 -27.88 62.1 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.354 -0.539 . . . . 74.439999999999998 110.426 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.54 -50.24 66.79 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.139 -0.553 . . . . 61.43 112.164 172.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.532 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 94.6 t -59.19 -41.77 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.881 0.372 . . . . 74.010000000000005 111.289 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.456 HG21 HD11 ' A' ' 49' ' ' LEU . 67.0 mt -56.01 -43.96 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.229 -0.441 . . . . 61.119999999999997 111.786 176.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 m -53.35 -30.39 39.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.046 0.45 . . . . 73.400000000000006 111.841 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.532 ' HE3' ' HA ' ' A' ' 25' ' ' VAL . 5.5 mtmp? -81.18 -8.73 59.81 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.704 0.631 . . . . 74.549999999999997 112.704 -171.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -61.01 159.16 12.01 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.541 0.686 . . . . 73.430000000000007 112.81 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.92 -8.18 34.59 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.341 -0.845 . . . . 64.329999999999998 111.8 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.4 t -113.21 168.54 9.63 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.312 0.577 . . . . 73.120000000000005 112.116 -174.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -98.8 131.52 44.86 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.061 -0.518 . . . . 73.340000000000003 111.453 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.71 108.64 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 120.839 0.352 . . . . 74.219999999999999 110.918 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -89.29 -33.44 16.94 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.241 0.543 . . . . 65.239999999999995 111.049 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.51 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 26.0 m -158.36 148.05 19.64 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.025 -0.534 . . . . 73.540000000000006 110.131 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.522 HG21 ' HB3' ' B' ' 38' ' ' LEU . 17.8 tt -159.03 140.82 4.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.04 0.448 . . . . 64.239999999999995 112.151 175.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.5 t -136.51 104.88 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 115.858 -0.61 . . . . 75.329999999999998 111.187 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.658 ' HB3' HG21 ' B' ' 36' ' ' ILE . 7.7 tt -113.71 118.58 34.73 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 122.099 -0.376 . . . . 73.319999999999993 110.359 176.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -140.97 138.48 33.79 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.2 0.524 . . . . 71.109999999999999 111.52 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.542 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.25 141.99 32.34 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.605 0.595 . . . . 71.140000000000001 112.605 -175.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -155.4 143.17 19.8 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.602 -0.727 . . . . 73.329999999999998 110.523 178.281 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 60.04 27.6 17.03 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.137 0.791 . . . . 74.340000000000003 113.137 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.47 4.73 90.07 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.958 -0.639 . . . . 73.329999999999998 112.603 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -117.86 172.53 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.453 -0.573 . . . . 72.230000000000004 109.453 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.542 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 36.5 p90 -137.88 154.86 49.43 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.962 -0.461 . . . . 71.420000000000002 110.767 172.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 4.2 t -127.58 118.07 23.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.914 0.388 . . . . 75.319999999999993 110.852 174.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.493 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 52.2 t -109.25 102.99 11.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.261 -0.427 . . . . 65.310000000000002 111.643 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.495 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 14.3 m120 -82.99 106.28 14.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.881 0.472 . . . . 64.030000000000001 111.281 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 26' ' ' ILE . 49.5 tp -98.63 137.63 36.99 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.78 0.324 . . . . 74.150000000000006 111.809 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.51 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 72.4 mmm -130.36 113.19 14.04 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.851 0.358 . . . . 75.0 111.61 176.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.22 167.48 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 116.347 -0.388 . . . . 73.019999999999996 111.92 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -97.17 139.54 32.99 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.875 0.369 . . . . 75.150000000000006 111.712 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.1 m -129.47 141.91 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-O 121.024 0.44 . . . . 62.43 111.794 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.574 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.4 ptpt -73.79 -20.27 60.52 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.396 0.517 . . . . 73.409999999999997 112.396 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.574 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.1 p30 -156.83 162.48 39.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.6 0.36 . . . . 72.409999999999997 110.087 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -74.45 -28.1 60.89 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.829 0.347 . . . . 72.019999999999996 111.756 -173.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.72 -35.53 80.86 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.632 0.73 . . . . 51.509999999999998 110.267 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 49.0 tptt -57.91 -39.25 77.48 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.275 -0.875 . . . . 75.230000000000004 111.137 173.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' ' 6' ' ' ALA . 53.9 tp -66.02 -48.86 69.75 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.857 0.361 . . . . 74.450000000000003 111.953 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.448 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 5.1 t -67.64 -28.74 67.98 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.915 0.388 . . . . 74.310000000000002 111.435 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.8 m -60.39 -40.23 90.16 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.126 0.489 . . . . 75.310000000000002 110.657 172.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.73 -39.29 93.94 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.207 -0.451 . . . . 75.239999999999995 111.292 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.448 ' SD ' ' HA ' ' A' ' 60' ' ' THR . 50.0 mtt -52.67 -50.96 62.23 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.269 -0.423 . . . . 71.120000000000005 110.704 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.48 -48.77 79.68 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.312 -0.404 . . . . 75.549999999999997 110.822 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -51.29 -36.8 44.11 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.933 0.397 . . . . 74.049999999999997 111.687 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.654 HD12 HD11 ' A' ' 10' ' ' ILE . 57.9 mt -81.15 -28.3 35.11 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.163 0.506 . . . . 74.200000000000003 111.51 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 63' ' ' MET . 99.1 mtt180 -75.64 -7.69 54.93 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.315 -0.402 . . . . 74.430000000000007 111.969 177.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -71.4 -9.4 58.1 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.007 0.432 . . . . 74.519999999999996 110.946 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.23 115.76 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.884 0.373 . . . . 74.329999999999998 110.708 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -57.88 -30.49 65.89 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.781 0.66 . . . . 74.030000000000001 112.781 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.35 -18.06 79.49 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 121.002 -0.618 . . . . 70.319999999999993 114.193 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.3 t -89.32 139.73 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 121.899 -0.765 . . . . 73.209999999999994 111.363 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.97 -7.78 8.36 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.793 0.664 . . . . 63.310000000000002 112.793 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.634 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.7 p -138.39 125.23 21.09 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.074 0.464 . . . . 72.310000000000002 111.632 174.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.521 HG13 ' HB2' ' A' ' 66' ' ' LEU . 45.2 t -142.62 102.85 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 N-CA-C 109.512 -0.551 . . . . 75.200000000000003 109.512 171.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -131.8 167.41 19.6 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.073 0.463 . . . . 72.140000000000001 112.042 -173.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -80.21 143.94 33.35 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.067 0.46 . . . . 74.209999999999994 111.512 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 9' ' ' ARG . 93.9 mt -88.97 102.17 14.81 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.975 0.417 . . . . 75.219999999999999 110.801 174.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.1 p -66.87 -48.4 68.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.161 0.505 . . . . 74.340000000000003 111.07 177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -81.86 128.44 34.04 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.991 -0.55 . . . . 72.230000000000004 110.687 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' A' ' 83' ' ' HIS . 35.4 mt -130.42 120.13 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.418 0.628 . . . . 74.450000000000003 109.839 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -78.09 27.63 0.19 Allowed 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.591 -0.731 . . . . 74.209999999999994 111.104 -177.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.428 ' H ' ' C ' ' A' ' 81' ' ' LEU . 14.5 m-70 -101.33 -8.5 22.02 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.883 -0.599 . . . . 71.230000000000004 111.805 -172.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -75.78 86.32 2.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.276 0.56 . . . . 71.540000000000006 111.078 -177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -139.85 -166.8 2.15 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.432 -0.803 . . . . 75.420000000000002 110.335 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -96.8 117.93 32.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.012 -0.366 . . . . 64.129999999999995 110.012 171.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -45.15 126.86 6.45 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.928 0.714 . . . . 72.319999999999993 112.928 -175.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 115.563 -0.744 . . . . 72.510000000000005 110.148 172.713 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.4 mmt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 120.635 0.255 . . . . 72.299999999999997 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 10.3 t -144.52 33.08 1.17 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.345 0.498 . . . . 75.349999999999994 112.345 -177.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 2.1 m-20 -47.24 113.0 0.6 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.743 0.306 . . . . 45.119999999999997 111.239 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -106.88 161.02 15.07 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.185 0.517 . . . . 73.150000000000006 110.991 -173.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 tp -80.08 112.24 17.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.916 -0.584 . . . . 72.430000000000007 111.082 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.61 150.68 27.86 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.789 -0.641 . . . . 71.010000000000005 111.496 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.42 144.24 17.54 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 121.387 -0.435 . . . . 64.430000000000007 112.821 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.563 HD11 HD21 ' B' ' 49' ' ' LEU . 54.0 mt -129.44 147.22 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 120.788 0.328 . . . . 71.420000000000002 110.751 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.552 ' HB3' ' HB2' ' B' ' 76' ' ' GLU . 47.3 ttt180 -126.77 118.88 25.58 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.776 0.322 . . . . 75.420000000000002 110.841 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.484 HD11 HD13 ' B' ' 66' ' ' LEU . 40.5 mt -112.23 117.62 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.528 -0.306 . . . . 74.120000000000005 111.247 -177.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.59 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 61.1 t -119.66 117.36 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 121.546 0.689 . . . . 74.329999999999998 111.561 177.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.82 171.69 25.33 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-N 115.616 -0.72 . . . . 64.109999999999999 112.407 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.41 ' CD ' ' HZ1' ' B' ' 15' ' ' LYS . 14.8 pt-20 -68.82 138.94 55.18 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.029 0.442 . . . . 70.340000000000003 111.9 -177.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -73.96 82.05 1.7 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.254 0.549 . . . . 73.549999999999997 111.647 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.41 ' HZ1' ' CD ' ' B' ' 13' ' ' GLU . 29.5 mttp -90.97 160.71 15.5 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.618 0.723 . . . . 73.319999999999993 112.657 172.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.532 HD21 ' N ' ' B' ' 16' ' ' ASN . 0.1 OUTLIER -72.61 48.14 0.19 Allowed 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.914 -1.039 . . . . 72.120000000000005 112.961 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.06 -26.42 0.1 OUTLIER Glycine 0 CA--C 1.528 0.883 0 CA-C-N 116.291 -0.413 . . . . 52.009999999999998 113.069 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.487 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 53.0 mmm -53.29 -50.93 63.87 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.926 0.713 . . . . 72.230000000000004 112.926 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 65.6 p -57.28 -32.44 66.63 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 111.962 0.356 . . . . 64.099999999999994 111.962 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -76.43 -43.27 40.88 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.097 0.475 . . . . 74.010000000000005 111.384 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.6 pt20 -72.37 -35.53 68.51 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.401 -0.363 . . . . 74.430000000000007 111.613 -177.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' B' ' 22' ' ' ILE . 15.5 mm -60.93 -54.57 33.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 112.156 0.428 . . . . 72.329999999999998 112.156 -176.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.527 HG22 HG22 ' A' ' 23' ' ' THR . 2.9 m -73.62 -29.14 62.18 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.209 0.528 . . . . 73.299999999999997 110.579 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.72 -43.23 98.01 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.992 -0.549 . . . . 44.340000000000003 112.624 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.552 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . 80.7 t -69.48 -37.89 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 O-C-N 122.621 -0.341 . . . . 73.420000000000002 111.32 176.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.424 HG13 ' O ' ' B' ' 22' ' ' ILE . 70.6 mt -56.03 -45.54 80.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.881 0.372 . . . . 75.340000000000003 111.807 176.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 85.6 p -58.66 -22.25 56.34 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.192 0.442 . . . . 74.140000000000001 112.192 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' B' ' 25' ' ' VAL . 45.2 mtmt -81.07 0.18 37.13 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.373 0.509 . . . . 73.340000000000003 112.373 -178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -71.09 156.76 39.22 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 120.95 0.405 . . . . 74.329999999999998 111.468 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.27 -20.76 66.2 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.191 0.52 . . . . 71.510000000000005 111.468 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.424 HG23 HD11 ' B' ' 51' ' ' ILE . 7.0 t -92.98 161.34 14.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.993 -0.549 . . . . 64.530000000000001 112.201 -174.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -99.84 129.59 45.95 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.904 -0.589 . . . . 63.409999999999997 110.936 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.486 ' HA ' HG22 ' B' ' 51' ' ' ILE . 73.0 mt -67.03 126.86 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.206 0.527 . . . . 74.010000000000005 111.08 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -103.27 -31.6 10.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.353 0.596 . . . . 75.230000000000004 110.201 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 53.7 m -154.79 132.04 11.07 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.562 -0.745 . . . . 72.120000000000005 110.392 174.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.658 HG21 ' HB3' ' A' ' 38' ' ' LEU . 10.4 tp -139.17 128.02 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 121.218 0.532 . . . . 70.040000000000006 110.628 176.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 57.6 t -128.35 143.8 39.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.422 -0.353 . . . . 71.510000000000005 110.704 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.522 ' HB3' HG21 ' A' ' 36' ' ' ILE . 9.3 tt -144.29 128.19 17.4 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.575 0.226 . . . . 73.439999999999998 110.501 176.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -143.91 145.5 32.32 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.738 0.304 . . . . 75.140000000000001 110.998 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -111.33 121.44 45.25 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.29 0.567 . . . . 62.43 111.657 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -138.4 150.26 46.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.517 -0.765 . . . . 63.039999999999999 109.92 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 59.88 20.01 8.96 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.855 0.36 . . . . 71.329999999999998 111.788 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.04 4.7 90.49 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 121.208 -0.52 . . . . 61.399999999999999 113.13 -175.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.7 mt -119.77 164.6 15.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 N-CA-C 109.447 -0.575 . . . . 73.120000000000005 109.447 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 18.2 p90 -125.33 150.9 46.72 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.735 -0.603 . . . . 73.030000000000001 110.773 175.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.404 ' HB ' HG22 ' B' ' 11' ' ' VAL . 3.6 t -128.32 125.62 39.13 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.046 0.45 . . . . 73.450000000000003 110.794 174.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.634 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.9 t -112.7 126.03 54.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.152 -0.476 . . . . 73.120000000000005 111.598 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -101.81 106.3 17.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.532 0.333 . . . . 74.239999999999995 110.782 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.563 HD21 HD11 ' B' ' 8' ' ' ILE . 56.8 tp -100.55 121.44 41.6 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.969 0.414 . . . . 72.329999999999998 111.977 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.401 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.0 mmm -115.99 109.03 17.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.863 0.363 . . . . 74.439999999999998 111.159 177.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.486 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -143.61 160.97 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 116.229 -0.441 . . . . 74.340000000000003 111.957 -176.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -89.18 139.19 30.73 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.901 0.381 . . . . 73.209999999999994 111.689 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 13.7 m -131.0 141.8 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 121.005 0.431 . . . . 72.319999999999993 111.639 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.512 ' HE2' ' ND2' ' B' ' 55' ' ' ASN . 21.4 ptmt -64.21 -40.48 96.16 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.112 -0.495 . . . . 74.329999999999998 111.973 175.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.512 ' ND2' ' HE2' ' B' ' 54' ' ' LYS . 89.6 m-20 -139.77 162.56 34.83 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.18 0.514 . . . . 63.109999999999999 111.894 -174.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 77.8 p -63.79 -40.53 96.89 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.874 -0.603 . . . . 74.299999999999997 111.221 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -40.94 96.81 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.31 0.576 . . . . 62.229999999999997 111.183 176.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -56.62 -39.79 74.24 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.822 -0.627 . . . . 73.209999999999994 110.668 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.86 -47.66 74.16 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.271 -0.422 . . . . 71.420000000000002 111.216 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' B' ' 63' ' ' MET . 69.1 p -64.59 -27.71 69.13 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.992 0.425 . . . . 55.409999999999997 111.307 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 99.3 m -66.57 -39.75 88.63 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.903 0.382 . . . . 74.230000000000004 111.234 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.23 -36.83 78.61 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.929 0.395 . . . . 74.219999999999999 110.579 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' B' ' 60' ' ' THR . 61.7 mtt -56.11 -46.57 79.07 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.081 -0.508 . . . . 75.310000000000002 110.64 174.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 31.3 t70 -55.74 -50.11 71.27 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.947 -0.57 . . . . 71.209999999999994 111.006 177.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.64 ' HZ2' ' HB3' ' B' ' 65' ' ' LYS . 8.4 mtpm? -57.47 -45.96 84.21 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.208 0.528 . . . . 63.130000000000003 111.876 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.484 HD13 HD11 ' B' ' 10' ' ' ILE . 56.1 mt -72.78 -30.43 64.09 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.27 0.557 . . . . 71.299999999999997 111.55 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' B' ' 67' ' ' ARG . 46.2 ttm180 -71.89 -13.25 61.6 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.036 -0.529 . . . . 73.140000000000001 111.869 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 74.7 mmtt -72.29 -15.45 61.9 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 111.988 0.366 . . . . 74.129999999999995 111.988 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 49.0 t -80.82 117.82 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 120.822 0.344 . . . . 71.109999999999999 111.594 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -56.54 -31.31 64.02 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.447 0.536 . . . . 64.319999999999993 112.447 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.485 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -69.09 -21.4 75.53 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 121.293 -0.48 . . . . 73.219999999999999 113.774 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -95.34 141.63 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 117.214 0.507 . . . . 74.530000000000001 111.267 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.78 -14.39 7.69 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.457 0.539 . . . . 74.540000000000006 112.457 176.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.59 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.0 OUTLIER -130.31 128.56 41.76 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.12 0.486 . . . . 74.25 111.559 175.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' B' ' 63' ' ' MET . 25.9 t -128.25 105.33 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 109.622 -0.511 . . . . 74.540000000000006 109.622 173.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' B' ' 9' ' ' ARG . 43.5 mt-10 -118.32 164.64 14.91 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.395 0.617 . . . . 72.319999999999993 112.654 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -101.87 141.7 34.32 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.79 -0.641 . . . . 74.329999999999998 110.751 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -96.13 106.53 18.72 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.036 0.446 . . . . 64.140000000000001 110.706 176.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 83.6 p -81.93 -56.95 3.64 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.0 0.429 . . . . 73.430000000000007 111.967 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -77.29 100.05 5.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.022 0.439 . . . . 75.530000000000001 111.357 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.0 mt -96.87 149.91 21.33 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.319 0.58 . . . . 74.299999999999997 112.197 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -105.42 30.41 5.71 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.874 -0.603 . . . . 70.540000000000006 111.65 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -92.03 -5.78 52.29 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.959 0.725 . . . . 61.409999999999997 112.959 -173.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -149.26 159.67 44.06 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.586 0.231 . . . . 74.120000000000005 110.764 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -61.02 119.08 7.62 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.082 0.468 . . . . 75.340000000000003 111.506 -172.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -127.67 125.29 39.82 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.945 0.402 . . . . 64.409999999999997 111.557 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -75.38 142.89 43.02 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.315 -0.402 . . . . 75.219999999999999 111.434 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.592 -0.718 . . . . 73.299999999999997 111.398 175.777 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.766 0.317 . . . . 75.25 111.261 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 t -126.54 85.49 2.39 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 121.619 0.723 . . . . 72.200000000000003 112.308 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.98 142.36 52.84 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.899 -0.592 . . . . 75.019999999999996 110.917 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -119.14 153.94 34.06 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.219 0.533 . . . . 74.150000000000006 111.09 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -78.08 103.68 8.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.918 -0.583 . . . . 75.200000000000003 111.215 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.22 158.69 15.32 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.903 -0.59 . . . . 71.519999999999996 111.43 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.91 151.0 20.08 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 121.056 -0.592 . . . . 65.420000000000002 113.469 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 mt -136.91 146.04 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 122.984 0.514 . . . . 72.129999999999995 110.506 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.49 ' HB2' HD23 ' A' ' 78' ' ' LEU . 59.2 ttt180 -122.18 131.42 53.94 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 122.025 -0.422 . . . . 72.5 110.947 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' A' ' 46' ' ' THR . 31.8 mt -120.72 117.51 53.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.242 -0.435 . . . . 70.040000000000006 111.247 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.583 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 73.3 t -118.01 116.93 53.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.686 0.755 . . . . 75.450000000000003 111.122 175.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.01 167.76 25.56 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.373 -0.831 . . . . 71.299999999999997 112.412 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.45 139.79 57.99 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.025 0.441 . . . . 73.439999999999998 111.738 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.41 75.16 3.97 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.346 0.593 . . . . 71.530000000000001 111.778 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -88.42 154.42 20.39 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.096 0.474 . . . . 74.099999999999994 112.174 170.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -46.98 -38.84 11.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.445 -0.798 . . . . 62.539999999999999 112.962 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.77 -12.65 34.28 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.912 -0.661 . . . . 72.430000000000007 114.142 -176.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.528 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 56.0 mmm -69.75 -51.83 30.64 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 117.841 0.82 . . . . 75.549999999999997 112.704 -173.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.4 p -59.78 -33.94 72.36 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.042 0.449 . . . . 74.219999999999999 111.387 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.492 ' HA ' HD12 ' B' ' 33' ' ' ILE . 1.9 m-20 -76.39 -48.63 19.16 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.074 0.464 . . . . 75.310000000000002 110.908 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.528 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.2 pt20 -67.25 -35.64 79.96 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.375 -0.375 . . . . 73.120000000000005 111.738 -176.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 22' ' ' ILE . 9.1 mm -63.56 -54.31 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 112.28 0.474 . . . . 75.030000000000001 112.28 -177.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.3 m -71.01 -27.45 63.7 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.261 0.553 . . . . 75.129999999999995 110.257 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.496 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -62.94 -49.65 70.47 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.168 -0.539 . . . . 72.450000000000003 112.265 172.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.498 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 54.2 t -59.42 -36.35 63.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 O-C-N 122.556 -0.379 . . . . 64.420000000000002 111.372 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.36 -44.89 96.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.286 -0.416 . . . . 75.530000000000001 111.604 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.4 p -63.39 -24.94 68.06 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.08 0.467 . . . . 75.040000000000006 111.022 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 54.4 mtpt -77.68 -4.74 47.65 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.052 -0.522 . . . . 73.409999999999997 111.812 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -65.48 166.51 10.24 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.963 0.887 . . . . 74.109999999999999 113.388 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.84 34.08 0.66 Allowed 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 114.616 -1.174 . . . . 73.230000000000004 110.898 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.9 t -151.88 149.22 28.72 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.343 -0.389 . . . . 73.430000000000007 111.135 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -90.31 127.74 36.25 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.04 0.448 . . . . 73.519999999999996 111.181 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.8 mt -63.03 123.16 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 112.34 0.496 . . . . 74.099999999999994 112.34 -175.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -96.87 -39.29 9.47 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.245 0.545 . . . . 73.450000000000003 110.598 176.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.534 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 24.8 m -149.79 146.1 26.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.999 -0.546 . . . . 74.420000000000002 110.19 172.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.57 HG21 ' HB3' ' B' ' 38' ' ' LEU . 19.3 tt -157.88 131.63 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.085 0.469 . . . . 73.5 111.726 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.616 HG12 HG22 ' B' ' 37' ' ' VAL . 62.1 t -133.64 104.82 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 116.332 -0.394 . . . . 72.519999999999996 111.726 -178.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.548 ' HB3' HG21 ' B' ' 36' ' ' ILE . 9.0 tt -104.72 116.58 32.27 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.771 -0.455 . . . . 74.200000000000003 109.771 174.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -128.73 128.9 44.95 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.901 0.382 . . . . 62.229999999999997 111.321 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -96.77 109.95 22.52 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.029 0.442 . . . . 73.010000000000005 111.247 177.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.622 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -123.93 141.06 52.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.062 -0.517 . . . . 75.230000000000004 110.603 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 64.24 6.81 3.15 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.622 0.601 . . . . 71.549999999999997 112.622 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.74 7.5 50.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 121.174 -0.536 . . . . 71.209999999999994 113.544 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.5 mt -131.89 149.83 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 122.331 -0.511 . . . . 64.299999999999997 110.02 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.53 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 39.1 p90 -114.51 146.22 40.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.027 0.441 . . . . 65.510000000000005 111.634 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 2.1 t -122.99 102.61 8.1 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.874 -0.603 . . . . 74.209999999999994 111.058 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 38' ' ' LEU . 42.2 t -91.32 111.29 22.71 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.025 0.441 . . . . 72.430000000000007 111.303 177.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.528 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.3 m-20 -97.47 111.2 23.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.207 -0.451 . . . . 73.319999999999993 111.14 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.7 tp -98.65 138.09 36.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.921 0.391 . . . . 75.120000000000005 111.783 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.534 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.5 mmm -131.38 114.22 14.71 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.392 -0.367 . . . . 73.120000000000005 111.126 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.6 pp -145.48 162.16 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 122.569 0.347 . . . . 74.200000000000003 111.876 -176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -89.6 139.88 30.1 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.87 0.367 . . . . 73.310000000000002 111.869 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.5 m -135.96 152.38 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.1 -0.5 . . . . 75.400000000000006 110.776 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -84.4 -32.36 24.19 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.919 0.39 . . . . 75.209999999999994 111.77 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.524 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 79.0 m-20 -131.39 155.67 46.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.329 -0.396 . . . . 74.540000000000006 111.374 -176.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.6 p -72.84 -30.62 64.16 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 122.18 -0.325 . . . . 74.450000000000003 111.108 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.11 -32.49 74.08 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.755 0.788 . . . . 74.340000000000003 109.814 175.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 51.5 tptt -61.87 -47.32 85.53 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.917 -1.038 . . . . 75.340000000000003 110.812 172.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.43 -47.34 86.53 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.141 -0.481 . . . . 74.25 111.748 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.5 p -62.1 -27.33 68.84 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.688 0.28 . . . . 75.209999999999994 111.58 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.0 m -61.96 -42.97 99.73 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.053 0.454 . . . . 75.239999999999995 111.219 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.5 -39.48 91.14 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.322 -0.399 . . . . 73.540000000000006 111.189 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.4 mtt -52.98 -51.07 62.79 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.139 0.495 . . . . 75.150000000000006 110.735 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.98 -47.11 81.58 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.742 -0.663 . . . . 72.420000000000002 111.132 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HZ1' ' HB3' ' A' ' 65' ' ' LYS . 8.6 mtpm? -58.16 -34.23 70.08 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.12 -0.491 . . . . 74.319999999999993 111.866 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.3 mt -79.38 -33.47 42.79 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.129 0.49 . . . . 72.340000000000003 111.488 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.37 -6.5 35.86 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.139 -0.482 . . . . 71.439999999999998 112.213 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -71.11 -17.09 62.59 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.68 0.276 . . . . 74.109999999999999 111.298 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -86.61 122.52 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-O 121.189 0.519 . . . . 71.510000000000005 112.204 -172.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -53.1 -39.96 63.77 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.267 0.84 . . . . 73.439999999999998 113.267 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.38 -18.36 79.3 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 121.073 -0.584 . . . . 72.109999999999999 114.495 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.408 HG23 ' HE3' ' A' ' 18' ' ' MET . 61.1 t -89.73 139.08 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 117.667 0.734 . . . . 75.239999999999995 111.799 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -121.64 -12.02 8.56 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.51 0.559 . . . . 64.140000000000001 112.51 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.583 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 2.8 p -134.09 123.14 23.97 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.999 0.428 . . . . 72.040000000000006 111.623 174.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.1 t -134.23 104.82 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 109.625 -0.509 . . . . 75.540000000000006 109.625 172.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -129.33 170.03 14.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.021 0.438 . . . . 72.530000000000001 112.075 -171.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -92.31 133.95 35.37 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.465 -0.334 . . . . 74.120000000000005 111.427 176.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.49 HD23 ' HB2' ' A' ' 9' ' ' ARG . 95.4 mt -83.87 95.34 8.45 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.461 -0.57 . . . . 72.310000000000002 109.461 170.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 75.3 p -84.0 -53.42 5.57 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.989 0.424 . . . . 74.319999999999993 111.586 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.401 ' C ' HD21 ' A' ' 80' ' ' ASN . 0.2 OUTLIER -69.43 97.13 0.95 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.252 0.549 . . . . 72.129999999999995 110.493 178.364 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 83' ' ' HIS . 77.1 mt -106.86 150.96 25.84 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.062 -0.517 . . . . 72.450000000000003 112.023 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -130.13 28.61 5.01 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.073 -0.512 . . . . 70.0 111.316 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.412 ' HD2' ' HB3' ' A' ' 81' ' ' LEU . 28.5 m-70 -70.86 90.74 0.81 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.189 0.518 . . . . 74.329999999999998 111.393 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -127.59 97.61 4.92 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.962 -0.563 . . . . 74.150000000000006 110.996 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -100.61 150.07 23.09 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.034 -0.53 . . . . 75.019999999999996 110.671 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -56.4 108.41 0.48 Allowed 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.954 0.407 . . . . 74.349999999999994 110.522 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -124.63 170.92 10.47 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.149 0.5 . . . . 71.040000000000006 111.878 -174.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.666 -0.697 . . . . 74.120000000000005 111.439 171.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.5 mtm . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.648 0.261 . . . . 73.450000000000003 111.055 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 88.8 m -125.54 109.4 12.63 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.807 0.337 . . . . 75.450000000000003 111.165 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -65.12 158.92 24.57 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.179 0.514 . . . . 74.519999999999996 112.217 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -139.04 153.78 48.13 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.922 0.392 . . . . 75.129999999999995 110.5 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 51.2 tp -75.54 105.7 6.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.286 0.565 . . . . 73.340000000000003 110.694 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.43 ' HB3' HD21 ' B' ' 59' ' ' LEU . . . -94.42 152.97 18.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.772 -0.649 . . . . 72.340000000000003 111.889 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.77 128.56 5.36 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.308 -0.472 . . . . 73.219999999999999 113.319 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' B' ' 48' ' ' ASN . 50.4 mt -115.63 147.23 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 122.562 0.345 . . . . 71.340000000000003 110.936 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.427 ' HB2' HD21 ' B' ' 78' ' ' LEU . 37.7 ttt180 -123.55 128.63 50.02 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.737 0.303 . . . . 62.310000000000002 110.994 177.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.852 HD11 HD13 ' B' ' 66' ' ' LEU . 51.6 mt -123.08 117.84 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 116.347 -0.388 . . . . 74.439999999999998 111.393 -178.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.59 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 70.5 t -118.81 117.71 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.643 0.735 . . . . 75.099999999999994 111.21 175.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.15 169.74 26.18 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.398 -0.819 . . . . 71.120000000000005 112.491 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.49 126.83 30.69 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.271 0.557 . . . . 74.25 111.655 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.04 114.22 4.01 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.985 0.422 . . . . 72.340000000000003 110.657 177.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.441 ' HB2' ' CG ' ' B' ' 18' ' ' MET . 22.4 mtpp -123.26 -177.38 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.508 0.671 . . . . 64.420000000000002 112.121 -177.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -46.82 -29.85 2.17 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.723 -1.126 . . . . 73.349999999999994 113.493 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.79 31.44 0.41 Allowed Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.807 -0.711 . . . . 73.439999999999998 113.515 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.471 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 30.3 mmm -73.6 -49.69 24.93 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 122.411 -0.464 . . . . 74.019999999999996 112.199 -177.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 73.4 p -58.99 -32.28 69.54 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.022 0.439 . . . . 71.439999999999998 111.298 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -76.45 -48.89 18.14 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.103 -0.499 . . . . 73.310000000000002 111.163 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.533 ' O ' HG22 ' B' ' 25' ' ' VAL . 8.7 pt20 -64.12 -39.64 94.46 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.617 -0.265 . . . . 71.530000000000001 111.272 -177.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' B' ' 22' ' ' ILE . 12.3 mm -60.69 -53.95 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.936 0.398 . . . . 70.409999999999997 111.881 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.402 ' HA ' HD11 ' B' ' 26' ' ' ILE . 6.3 m -70.18 -27.05 64.21 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.306 0.574 . . . . 73.340000000000003 110.367 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.529 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -61.92 -52.24 51.62 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-N 115.975 -0.557 . . . . 63.409999999999997 112.015 172.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.533 HG22 ' O ' ' B' ' 21' ' ' GLN . 90.8 t -55.85 -40.28 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 121.003 0.43 . . . . 73.219999999999999 110.904 175.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.402 HD11 ' HA ' ' B' ' 23' ' ' THR . 57.9 mt -54.53 -47.2 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 CA-C-N 115.908 -0.587 . . . . 74.540000000000006 111.628 174.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 82.7 p -70.64 -21.47 62.62 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 120.743 0.306 . . . . 72.340000000000003 111.431 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 99.0 mttt -75.32 -6.65 51.0 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.268 0.47 . . . . 72.349999999999994 112.268 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -69.66 170.05 11.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.866 0.841 . . . . 74.030000000000001 112.733 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.39 -29.44 26.21 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.15 -0.932 . . . . 63.210000000000001 111.924 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.9 t -77.74 160.27 28.53 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.117 0.484 . . . . 53.210000000000001 112.109 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -94.32 124.35 38.29 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.976 0.417 . . . . 75.200000000000003 111.855 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 20' ' ' ASN . 67.4 mt -67.12 112.86 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 116.127 -0.488 . . . . 74.519999999999996 111.571 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' B' ' 34' ' ' ARG . 0.1 OUTLIER -89.53 -32.6 17.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.337 0.589 . . . . 75.030000000000001 110.343 177.803 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.525 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 19.0 m -157.44 149.37 22.36 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.994 -0.548 . . . . 71.030000000000001 110.813 175.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.548 HG21 ' HB3' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -149.17 133.74 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 120.743 0.306 . . . . 75.329999999999998 110.309 172.424 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.616 HG22 HG12 ' A' ' 37' ' ' VAL . 62.5 t -133.76 105.75 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 120.776 0.322 . . . . 72.310000000000002 111.716 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.57 ' HB3' HG21 ' A' ' 36' ' ' ILE . 8.3 tt -113.48 133.17 55.36 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 122.334 0.253 . . . . 73.310000000000002 110.691 178.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -141.03 133.44 28.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.185 0.517 . . . . 72.420000000000002 111.302 172.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.566 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -105.09 127.56 52.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.252 0.548 . . . . 73.450000000000003 111.02 177.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.523 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -142.77 140.94 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.836 -0.62 . . . . 75.340000000000003 110.451 179.33 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 56.14 27.03 10.91 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.202 0.525 . . . . 75.120000000000005 111.864 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.68 5.75 81.15 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 116.207 -0.451 . . . . 73.409999999999997 114.172 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 mt -128.62 140.43 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 117.542 0.671 . . . . 75.200000000000003 111.282 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.566 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 38.6 p90 -110.81 146.85 35.69 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.915 0.388 . . . . 73.439999999999998 111.265 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.48 ' HB ' HG21 ' B' ' 11' ' ' VAL . 3.0 t -124.31 107.32 11.03 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.084 -0.507 . . . . 73.299999999999997 110.747 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.494 ' SG ' HD13 ' B' ' 36' ' ' ILE . 42.2 t -101.1 122.25 43.25 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.125 -0.488 . . . . 54.409999999999997 111.3 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' B' ' 8' ' ' ILE . 64.7 m-20 -105.22 117.66 34.58 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.79 0.329 . . . . 74.129999999999995 111.219 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 28.4 tp -98.96 126.93 44.77 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.922 0.391 . . . . 74.209999999999994 111.605 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.515 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 65.7 mmm -118.47 106.93 13.19 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.146 0.498 . . . . 72.409999999999997 111.386 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.478 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.2 pp -138.96 160.75 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 115.977 -0.556 . . . . 70.329999999999998 111.506 -177.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.25 132.35 36.18 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.928 0.394 . . . . 73.030000000000001 111.611 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.1 m -126.78 145.78 33.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 116.118 -0.492 . . . . 71.510000000000005 110.894 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -81.13 -18.35 46.73 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.881 0.372 . . . . 74.219999999999999 111.597 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -158.44 164.94 35.76 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.111 -0.495 . . . . 74.140000000000001 111.064 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 81.4 p -70.52 -30.68 67.51 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.231 0.456 . . . . 75.129999999999995 112.231 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -59.11 -41.26 87.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.0 0.429 . . . . 64.329999999999998 111.496 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -57.27 -51.15 70.51 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.084 0.469 . . . . 72.129999999999995 110.648 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' B' ' 6' ' ' ALA . 50.5 tp -57.23 -47.35 81.56 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.833 -0.621 . . . . 74.109999999999999 112.407 -177.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' THR . . . . . 0.429 ' HA ' ' HG3' ' B' ' 63' ' ' MET . 9.2 t -73.46 -29.44 62.54 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.182 0.438 . . . . 74.129999999999995 112.182 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 97.3 m -63.67 -33.85 76.56 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.087 0.47 . . . . 71.340000000000003 110.508 173.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.55 -37.69 88.44 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.527 -0.306 . . . . 74.219999999999999 110.616 173.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.429 ' HG3' ' HA ' ' B' ' 60' ' ' THR . 50.0 mtt -53.99 -50.7 65.97 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.226 0.536 . . . . 74.319999999999993 109.803 173.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.15 -53.66 50.28 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.459 -0.791 . . . . 74.439999999999998 111.95 176.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -58.09 -36.28 72.62 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.128 0.418 . . . . 75.329999999999998 112.128 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.852 HD13 HD11 ' B' ' 10' ' ' ILE . 63.5 mt -81.57 -25.81 35.5 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.981 0.419 . . . . 74.340000000000003 111.365 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' B' ' 67' ' ' ARG . 37.0 ttm180 -73.68 -14.33 61.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.852 0.358 . . . . 74.319999999999993 111.774 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -72.4 -3.92 27.0 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.1 0.408 . . . . 75.209999999999994 112.1 -177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 88.7 t -85.91 126.58 40.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 121.214 0.53 . . . . 73.530000000000001 111.378 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.22 -31.42 69.03 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.036 0.754 . . . . 73.0 113.036 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.05 -12.92 83.58 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 121.063 -0.589 . . . . 53.210000000000001 114.414 -175.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 59.8 t -92.02 142.7 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 117.694 0.747 . . . . 72.430000000000007 112.225 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -127.68 -4.2 5.91 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.562 0.579 . . . . 64.129999999999995 112.562 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.59 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.2 p -137.78 129.09 27.81 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 122.021 -0.424 . . . . 72.409999999999997 111.474 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 t -141.76 106.5 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 109.568 -0.53 . . . . 72.319999999999993 109.568 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -143.07 160.08 41.06 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.733 0.642 . . . . 70.120000000000005 112.733 -169.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -87.62 120.02 28.51 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.215 -0.448 . . . . 75.239999999999995 111.381 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' B' ' 9' ' ' ARG . 90.3 mt -57.3 -40.69 78.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.209 -0.45 . . . . 74.140000000000001 111.25 176.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 47.7 m 69.84 -71.49 0.12 Allowed 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.635 -0.711 . . . . 73.439999999999998 112.565 173.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -81.11 130.61 35.1 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.77 0.319 . . . . 75.409999999999997 110.556 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.4 mt -126.26 142.93 51.33 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.29 0.478 . . . . 73.150000000000006 112.29 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.415 ' HB3' ' CD2' ' B' ' 88' ' ' HIS . 13.0 pt-20 -102.13 22.27 13.47 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.418 0.628 . . . . 62.32 111.081 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -72.63 177.5 4.69 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.901 -0.591 . . . . 73.5 111.122 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 33.4 m170 61.73 32.01 18.39 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.819 0.343 . . . . 74.239999999999995 111.165 -173.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 67.4 20.71 9.87 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.207 0.527 . . . . 74.329999999999998 111.801 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -90.77 43.65 1.16 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.295 0.569 . . . . 74.25 111.44 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -60.32 131.76 51.8 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.977 0.418 . . . . 74.219999999999999 112.02 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.415 ' CD2' ' HB3' ' B' ' 82' ' ' GLU . 15.6 p80 . . . . . 0 C--O 1.251 1.17 0 CA-C-N 116.277 -0.419 . . . . 73.099999999999994 111.825 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 120.627 0.251 . . . . 73.549999999999997 111.275 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 t -100.3 88.43 3.68 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.468 0.651 . . . . 73.030000000000001 111.476 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.19 141.01 38.94 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.044 -0.526 . . . . 74.310000000000002 110.851 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -121.5 155.88 34.0 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.116 0.484 . . . . 74.319999999999993 110.379 177.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.7 tp -78.78 105.89 10.39 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.476 . . . . 73.409999999999997 111.377 -178.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.49 143.68 32.4 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.932 -0.576 . . . . 75.439999999999998 111.506 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.83 144.17 18.13 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 121.158 -0.544 . . . . 71.030000000000001 112.945 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.654 HD11 HD23 ' A' ' 49' ' ' LEU . 46.2 mt -131.83 145.2 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.809 0.444 . . . . 75.219999999999999 110.282 177.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HB2' HD22 ' A' ' 78' ' ' LEU . 73.3 ttt180 -128.83 128.03 43.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.942 0.401 . . . . 75.010000000000005 111.18 175.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 46' ' ' THR . 14.8 mt -117.17 117.13 54.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 115.878 -0.601 . . . . 74.140000000000001 110.926 -178.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.596 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 73.6 t -117.41 108.41 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 121.701 0.763 . . . . 63.43 111.277 175.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.12 158.68 23.69 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.139 -0.937 . . . . 73.319999999999993 111.841 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.56 133.4 43.54 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.367 0.584 . . . . 64.310000000000002 111.631 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.77 106.26 3.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.187 0.518 . . . . 54.530000000000001 111.241 -177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.578 ' O ' ' HG3' ' A' ' 18' ' ' MET . 22.3 ptmt -156.69 141.73 17.19 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.336 -0.393 . . . . 74.200000000000003 112.042 -178.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.633 ' N ' HD21 ' A' ' 16' ' ' ASN . 0.7 OUTLIER 60.66 11.06 2.9 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.764 0.653 . . . . 62.149999999999999 112.764 171.693 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.92 34.43 8.95 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 121.034 -0.603 . . . . 64.129999999999995 113.014 -177.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.578 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 45.1 mtp -59.14 -40.01 84.15 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.565 -0.374 . . . . 73.430000000000007 111.822 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.4 p -55.01 -34.83 63.8 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.871 0.367 . . . . 74.209999999999994 111.665 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.545 ' O ' ' HB2' ' B' ' 27' ' ' SER . 15.6 m120 -76.06 -49.37 17.68 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.314 -0.403 . . . . 73.519999999999996 110.957 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.549 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 10.1 pt20 -64.92 -42.59 94.58 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.768 0.318 . . . . 72.299999999999997 111.27 -178.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.405 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 13.1 mm -58.03 -53.87 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 112.198 0.444 . . . . 74.329999999999998 112.198 -177.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.412 ' O ' ' HB ' ' A' ' 26' ' ' ILE . 7.0 m -70.45 -26.07 63.48 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.221 0.534 . . . . 72.109999999999999 110.299 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.0 -43.21 99.48 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.084 -0.579 . . . . 61.32 112.362 170.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 21' ' ' GLN . 88.8 t -62.9 -35.35 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.945 0.402 . . . . 71.040000000000006 110.85 175.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.705 HD12 HD21 ' A' ' 49' ' ' LEU . 47.5 mm -51.76 -46.17 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 116.057 -0.519 . . . . 75.25 111.752 176.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.4 p -64.59 -22.89 67.09 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.86 0.362 . . . . 71.049999999999997 111.373 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -86.13 20.26 2.38 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 111.877 0.325 . . . . 74.019999999999996 111.877 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.435 ' CG ' HD23 ' A' ' 62' ' ' LEU . 21.3 m-30 -97.24 -4.77 38.28 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.674 0.62 . . . . 75.239999999999995 112.674 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.8 t70 69.42 -2.09 2.0 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 112.166 0.432 . . . . 75.099999999999994 112.166 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.9 t -100.5 155.1 18.03 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 122.038 -0.414 . . . . 74.230000000000004 112.035 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.443 ' O ' HG21 ' A' ' 51' ' ' ILE . 27.0 t-20 -80.5 123.57 28.19 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.941 0.4 . . . . 72.049999999999997 111.757 -177.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.48 ' HA ' HG21 ' A' ' 51' ' ' ILE . 68.6 mt -74.94 106.61 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 116.253 -0.43 . . . . 74.319999999999993 111.456 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.19 -35.39 21.69 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.015 0.436 . . . . 74.010000000000005 110.459 177.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 5.8 m -153.94 146.97 24.53 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.957 -0.565 . . . . 75.230000000000004 110.705 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.57 HG21 ' HB3' ' B' ' 38' ' ' LEU . 16.7 tt -157.12 133.26 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 120.863 0.364 . . . . 71.219999999999999 111.205 172.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.491 HG23 HG13 ' B' ' 37' ' ' VAL . 59.0 t -135.34 105.19 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.907 0.384 . . . . 73.319999999999993 111.543 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.609 ' HB3' HG23 ' B' ' 36' ' ' ILE . 7.4 tt -109.03 119.36 39.33 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.969 -0.382 . . . . 72.310000000000002 109.969 176.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -131.55 133.45 45.06 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.939 0.399 . . . . 74.25 111.019 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.71 117.04 34.01 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.22 0.533 . . . . 75.109999999999999 111.592 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.09 153.65 45.55 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.888 -0.597 . . . . 72.099999999999994 109.68 176.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 64.09 11.43 6.18 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.763 0.316 . . . . 54.240000000000002 111.528 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.53 2.24 76.58 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 121.65 -0.31 . . . . 71.510000000000005 113.216 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.6 mt -125.39 150.49 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 122.541 0.336 . . . . 74.109999999999999 110.738 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 43.4 p90 -115.04 143.62 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.243 0.544 . . . . 73.120000000000005 111.481 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 1.8 t -118.32 100.37 7.45 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.781 -0.645 . . . . 74.519999999999996 111.002 176.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.3 t -88.06 108.39 19.21 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.016 0.436 . . . . 63.450000000000003 111.461 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.456 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.1 m-20 -94.38 110.8 22.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.294 -0.412 . . . . 74.530000000000001 111.185 177.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.705 HD21 HD12 ' A' ' 26' ' ' ILE . 48.3 tp -98.14 134.23 41.48 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.916 0.389 . . . . 73.219999999999999 111.761 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.584 ' HG3' ' HE2' ' A' ' 83' ' ' HIS . 70.6 mmm -127.92 108.68 10.89 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.059 0.457 . . . . 75.230000000000004 111.164 176.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.48 HG21 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -141.07 168.0 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.154 -0.475 . . . . 73.329999999999998 111.747 -175.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -96.18 138.26 34.05 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.891 0.377 . . . . 75.340000000000003 111.535 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.4 m -132.26 142.35 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.944 0.402 . . . . 74.150000000000006 111.417 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -61.86 -41.42 97.82 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.203 0.525 . . . . 74.310000000000002 111.876 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -149.49 171.59 16.35 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.324 -0.398 . . . . 73.340000000000003 111.353 -176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.8 p -71.31 -25.59 62.49 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.55 0.574 . . . . 65.040000000000006 112.55 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.11 -40.4 90.68 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.406 0.622 . . . . 74.219999999999999 110.229 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -58.17 -41.17 83.26 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.497 -0.774 . . . . 74.430000000000007 110.791 173.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.32 -48.0 74.6 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.283 -0.417 . . . . 75.329999999999998 111.501 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.6 p -65.09 -27.98 69.14 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.684 0.278 . . . . 70.329999999999998 111.182 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.5 m -63.59 -42.75 98.25 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.966 0.412 . . . . 71.140000000000001 110.735 175.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.435 HD23 ' CG ' ' A' ' 29' ' ' PHE . 12.2 mt -63.98 -50.15 69.71 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.373 -0.376 . . . . 72.510000000000005 111.109 178.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.417 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 75.7 mtm -58.79 -34.69 71.77 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.479 -0.328 . . . . 63.210000000000001 111.359 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -63.75 -48.16 78.1 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.966 0.412 . . . . 75.340000000000003 110.774 174.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -55.85 -33.97 65.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.077 -0.51 . . . . 63.509999999999998 111.571 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.404 ' HB2' HG12 ' A' ' 75' ' ' VAL . 59.1 mt -78.64 -36.92 43.25 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.109 -0.496 . . . . 63.409999999999997 111.91 177.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 63' ' ' MET . 97.7 mtt180 -67.08 -7.45 23.06 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.758 0.651 . . . . 72.439999999999998 112.758 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -75.21 -12.41 60.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.429 0.529 . . . . 75.120000000000005 112.429 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 63.4 t -82.35 115.51 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.037 0.446 . . . . 72.409999999999997 111.555 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -59.06 -31.34 68.78 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.569 0.581 . . . . 73.409999999999997 112.569 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.521 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -74.09 -17.7 79.56 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 120.829 -0.7 . . . . 71.340000000000003 113.628 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -92.18 137.62 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 122.196 -0.591 . . . . 74.019999999999996 111.279 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -122.6 -2.51 8.88 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.757 0.651 . . . . 72.349999999999994 112.757 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.596 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 5.1 p -143.42 123.27 13.45 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.892 0.377 . . . . 75.150000000000006 111.446 173.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 66' ' ' LEU . 26.4 t -139.27 102.78 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 109.438 -0.579 . . . . 73.310000000000002 109.438 171.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -133.79 162.12 32.86 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.517 -0.31 . . . . 72.019999999999996 111.441 -173.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -74.5 143.6 44.51 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.934 0.397 . . . . 74.120000000000005 111.512 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.459 HD22 ' HB2' ' A' ' 9' ' ' ARG . 64.9 mt -89.51 119.34 29.86 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.756 0.312 . . . . 74.420000000000002 111.683 176.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.3 t -92.68 -14.04 28.6 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.441 0.639 . . . . 72.230000000000004 110.529 173.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -110.73 109.99 20.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.044 -0.526 . . . . 64.430000000000007 110.611 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD23 ' SD ' ' A' ' 50' ' ' MET . 36.7 mt -112.8 172.55 6.86 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.122 0.487 . . . . 72.549999999999997 111.793 -176.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.51 15.29 12.01 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.696 0.628 . . . . 75.129999999999995 112.696 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.584 ' HE2' ' HG3' ' A' ' 50' ' ' MET . 22.7 m-70 -79.53 129.8 34.8 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 122.292 -0.255 . . . . 75.219999999999999 111.125 -176.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 60.87 15.96 6.45 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.645 0.378 . . . . 75.439999999999998 111.768 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -80.37 140.44 36.07 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.058 0.456 . . . . 73.310000000000002 111.298 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -108.46 125.15 51.45 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.142 0.496 . . . . 75.230000000000004 111.275 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -69.59 113.29 6.73 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.16 -0.473 . . . . 74.310000000000002 111.6 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.97 -0.538 . . . . 74.439999999999998 111.016 176.013 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 110.627 -0.138 . . . . 71.319999999999993 110.627 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 80.7 m -79.32 70.51 5.75 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.551 0.691 . . . . 74.329999999999998 110.126 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.49 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 7.4 m-20 -94.49 128.76 41.29 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.792 -0.64 . . . . 72.310000000000002 110.839 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -130.75 156.15 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.234 0.54 . . . . 74.319999999999993 110.566 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.3 tp -81.62 105.7 12.98 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.78 -0.645 . . . . 74.200000000000003 110.532 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.502 ' HB2' HD22 ' B' ' 59' ' ' LEU . . . -93.18 147.24 23.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.112 -0.494 . . . . 74.109999999999999 111.846 -176.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' B' ' 49' ' ' LEU . . . -125.14 142.86 14.15 Favored Glycine 0 CA--C 1.524 0.62 0 CA-C-N 115.95 -0.568 . . . . 65.109999999999999 113.381 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.565 HD11 HD21 ' B' ' 49' ' ' LEU . 38.7 mt -128.08 140.36 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 122.689 0.396 . . . . 74.340000000000003 110.612 177.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.524 ' HB2' HD23 ' B' ' 78' ' ' LEU . 49.6 ttt180 -114.49 122.89 47.97 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.942 0.401 . . . . 74.519999999999996 111.182 173.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.458 ' HB ' ' HB3' ' B' ' 47' ' ' CYS . 28.2 mt -111.99 117.43 55.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.96 -0.564 . . . . 74.140000000000001 110.812 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.642 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 59.3 t -120.38 110.79 29.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-O 121.519 0.676 . . . . 75.219999999999999 111.023 175.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.58 161.42 23.99 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.384 -0.826 . . . . 74.150000000000006 112.395 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.95 149.58 48.68 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.778 0.659 . . . . 74.019999999999996 112.778 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.87 97.81 0.69 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.842 -0.617 . . . . 74.120000000000005 110.599 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.507 ' HB2' ' HB2' ' B' ' 18' ' ' MET . 58.3 mmtt -100.71 -178.9 3.92 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 122.172 0.987 . . . . 73.129999999999995 111.739 175.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -57.34 -46.48 83.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 113.802 -1.544 . . . . 75.530000000000001 111.625 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.29 25.35 2.18 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 120.756 -0.735 . . . . 73.409999999999997 114.351 -175.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.507 ' HB2' ' HB2' ' B' ' 15' ' ' LYS . 22.4 mmm -67.88 -50.47 56.21 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 117.502 0.651 . . . . 74.420000000000002 111.603 177.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 77.1 p -56.58 -32.26 65.04 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.068 0.461 . . . . 75.549999999999997 111.349 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -75.7 -48.26 22.7 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.06 -0.518 . . . . 74.349999999999994 110.938 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.547 ' O ' HG21 ' B' ' 25' ' ' VAL . 10.4 pt20 -67.73 -38.77 84.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.257 -0.429 . . . . 72.430000000000007 111.467 -178.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.541 ' O ' HG12 ' B' ' 26' ' ' ILE . 14.3 mm -59.87 -54.35 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 112.236 0.458 . . . . 74.340000000000003 112.236 -176.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.5 m -70.63 -26.52 63.51 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.235 0.54 . . . . 71.25 110.318 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.4 99.73 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.961 -0.563 . . . . 73.109999999999999 111.96 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.547 HG21 ' O ' ' B' ' 21' ' ' GLN . 84.2 t -64.98 -41.05 91.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 120.956 0.408 . . . . 74.409999999999997 110.497 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.541 HG12 ' O ' ' B' ' 22' ' ' ILE . 50.4 mm -56.63 -45.69 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 121.059 0.457 . . . . 75.409999999999997 111.659 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' SER . . . . . 0.545 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 68.3 p -61.99 -41.27 97.86 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.385 -0.371 . . . . 63.100000000000001 111.783 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -87.75 15.15 7.31 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.191 0.441 . . . . 73.200000000000003 112.191 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . 0.413 ' HD1' ' HA ' ' B' ' 29' ' ' PHE . 0.4 OUTLIER -64.16 166.48 7.78 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.143 0.973 . . . . 75.209999999999994 113.09 177.758 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.404 ' OD2' ' NZ ' ' B' ' 58' ' ' LYS . 0.9 OUTLIER -86.79 35.26 0.67 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.39 -1.277 . . . . 71.239999999999995 111.604 177.825 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 10.2 t -155.89 167.2 31.17 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.022 -0.535 . . . . 75.200000000000003 110.848 173.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -93.81 126.78 39.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.965 0.412 . . . . 64.099999999999994 111.551 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.483 ' HA ' HG22 ' B' ' 51' ' ' ILE . 70.2 mt -66.97 127.97 29.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 116.238 -0.437 . . . . 71.400000000000006 111.235 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 34' ' ' ARG . 17.3 mmm180 -104.61 -38.01 6.9 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.542 0.687 . . . . 74.230000000000004 109.724 174.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.531 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 87.0 m -153.23 131.64 12.1 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.435 -0.802 . . . . 70.310000000000002 110.124 174.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.609 HG23 ' HB3' ' A' ' 38' ' ' LEU . 9.6 tp -134.96 132.42 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.026 0.441 . . . . 73.150000000000006 110.56 176.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 60.4 t -127.0 147.3 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.387 -0.369 . . . . 72.450000000000003 110.515 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.57 ' HB3' HG21 ' A' ' 36' ' ' ILE . 8.6 tt -144.7 114.58 7.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.506 -0.553 . . . . 75.230000000000004 109.506 172.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -119.33 107.32 13.24 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.575 0.213 . . . . 75.019999999999996 111.575 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -88.47 107.98 19.15 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.132 0.491 . . . . 34.109999999999999 110.207 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -128.98 152.2 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.004 -0.544 . . . . 74.049999999999997 110.457 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 62.61 -72.97 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.407 0.623 . . . . 74.519999999999996 111.26 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.66 19.18 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 CA-C-N 115.804 -0.634 . . . . 74.239999999999995 111.724 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 mt -141.59 157.59 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 123.087 0.555 . . . . 74.349999999999994 109.72 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.516 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.1 p90 -119.65 136.22 54.49 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.929 0.395 . . . . 74.040000000000006 111.743 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.0 t -109.51 100.66 9.7 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.114 0.483 . . . . 74.430000000000007 110.744 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 42.5 t -92.27 116.88 29.35 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.261 -0.427 . . . . 61.509999999999998 111.22 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -104.51 112.08 25.0 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.667 0.27 . . . . 73.540000000000006 111.053 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.565 HD21 HD11 ' B' ' 8' ' ' ILE . 49.9 tp -98.41 131.38 44.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.874 0.369 . . . . 74.319999999999993 111.737 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.531 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 64.2 mmm -126.92 111.81 14.56 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.127 -0.488 . . . . 53.329999999999998 111.169 177.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.483 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.5 pp -143.96 159.36 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 116.218 -0.446 . . . . 63.530000000000001 111.612 -177.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -87.03 142.32 28.02 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.421 0.629 . . . . 72.420000000000002 112.363 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 21.4 m -141.1 160.6 22.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 115.58 -0.736 . . . . 74.219999999999999 110.592 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.507 ' HD2' ' H ' ' B' ' 54' ' ' LYS . 0.0 OUTLIER -99.04 -3.46 34.73 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.892 0.377 . . . . 74.019999999999996 111.495 177.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.606 ' N ' HD21 ' B' ' 55' ' ' ASN . 0.0 OUTLIER -172.49 164.65 5.63 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.657 0.383 . . . . 75.200000000000003 111.158 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 76.8 p -73.05 -26.76 61.4 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.255 0.465 . . . . 71.109999999999999 112.255 -177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.3 -37.14 86.44 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.584 0.706 . . . . 64.420000000000002 110.288 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.404 ' NZ ' ' OD2' ' B' ' 30' ' ' ASP . 50.4 tptt -57.7 -42.68 84.21 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.442 -0.799 . . . . 74.099999999999994 110.649 172.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' B' ' 6' ' ' ALA . 54.7 tp -66.98 -44.12 81.25 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.712 -0.677 . . . . 74.439999999999998 111.781 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 67.9 p -62.24 -28.05 69.42 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 122.291 -0.256 . . . . 74.120000000000005 111.517 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.476 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 81.9 m -60.09 -47.62 85.11 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.138 0.494 . . . . 75.25 110.564 177.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.12 -46.18 85.33 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.059 -0.518 . . . . 75.200000000000003 111.779 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.4 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 68.1 mtm -60.24 -33.77 72.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 111.619 0.229 . . . . 72.340000000000003 111.619 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 16.0 t70 -66.29 -45.42 80.49 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.892 0.377 . . . . 72.129999999999995 110.344 174.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' B' ' 61' ' ' THR . 57.3 mtpt -55.33 -35.73 65.49 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.975 -0.557 . . . . 75.209999999999994 111.324 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 66.2 mt -76.05 -41.28 51.21 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.951 -0.568 . . . . 74.510000000000005 111.867 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' B' ' 63' ' ' MET . 96.9 mtt180 -63.62 -8.09 9.03 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.386 0.513 . . . . 74.230000000000004 112.386 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.546 ' HE3' ' HA ' ' B' ' 68' ' ' LYS . 0.0 OUTLIER -73.02 -13.5 61.23 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 112.164 0.431 . . . . 73.150000000000006 112.164 176.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.502 HG12 ' SD ' ' B' ' 18' ' ' MET . 62.5 t -89.89 121.78 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 O-C-N 122.086 -0.384 . . . . 70.319999999999993 111.695 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -57.66 -34.76 69.71 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.136 -0.484 . . . . 74.230000000000004 112.278 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.19 -25.81 69.97 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 114.085 0.394 . . . . 52.130000000000003 114.085 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . 0.438 HG22 ' HE3' ' B' ' 18' ' ' MET . 59.3 t -89.84 141.17 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 117.009 0.405 . . . . 71.140000000000001 111.49 -178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.9 -22.05 7.49 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.288 0.477 . . . . 75.049999999999997 112.288 175.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.642 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.8 p -123.08 118.43 27.7 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.245 0.545 . . . . 72.109999999999999 111.782 176.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.8 t -133.35 104.35 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.149 -0.686 . . . . 75.450000000000003 109.149 169.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -137.45 162.52 33.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.238 0.542 . . . . 75.030000000000001 112.053 -173.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.486 ' HG3' HD23 ' B' ' 59' ' ' LEU . 14.1 ttp180 -86.07 133.03 33.92 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.83 -0.623 . . . . 74.549999999999997 112.147 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' B' ' 9' ' ' ARG . 98.1 mt -85.27 111.38 19.81 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.127 0.489 . . . . 73.329999999999998 111.033 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 77.8 p -80.34 -66.61 0.86 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.118 0.485 . . . . 64.120000000000005 111.096 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -73.32 103.65 4.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.101 -0.5 . . . . 71.150000000000006 111.311 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 48.1 mt -90.97 144.86 25.23 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.196 0.522 . . . . 62.229999999999997 112.233 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -84.59 3.88 34.76 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.956 -0.565 . . . . 73.439999999999998 111.295 176.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.405 ' NE2' ' HE2' ' B' ' 50' ' ' MET . 34.9 m-70 -74.6 -28.25 60.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.985 -0.552 . . . . 73.120000000000005 112.127 -173.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -78.44 85.17 4.55 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 109.458 -0.571 . . . . 71.329999999999998 109.458 170.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -72.97 71.55 1.08 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.329 0.585 . . . . 75.239999999999995 110.619 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -133.74 80.24 1.86 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.837 -0.619 . . . . 72.420000000000002 111.537 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -126.17 18.95 7.67 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.367 0.603 . . . . 73.200000000000003 110.071 171.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 24.3 t60 . . . . . 0 C--O 1.251 1.136 0 CA-C-N 115.148 -0.933 . . . . 75.209999999999994 110.621 -177.305 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttp . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.781 0.324 . . . . 75.450000000000003 111.237 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -174.6 171.44 3.27 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.844 0.354 . . . . 74.209999999999994 111.134 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -72.87 139.53 46.97 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.478 -0.328 . . . . 74.5 111.176 176.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -116.1 153.09 32.37 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.22 0.533 . . . . 73.150000000000006 111.11 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.8 tp -75.36 103.61 5.58 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.197 0.523 . . . . 72.230000000000004 111.424 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.58 158.61 15.8 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.828 -0.624 . . . . 61.219999999999999 111.631 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.2 144.03 15.06 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 121.3 -0.476 . . . . 64.439999999999998 112.661 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.3 mt -133.19 140.14 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 122.601 -0.352 . . . . 74.109999999999999 110.763 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' HB2' HD22 ' A' ' 78' ' ' LEU . 47.2 ttp180 -118.04 126.45 52.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.9 0.381 . . . . 73.150000000000006 110.841 175.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.543 HD12 HD13 ' A' ' 66' ' ' LEU . 24.7 mt -113.31 116.0 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 116.077 -0.51 . . . . 74.530000000000001 110.632 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.599 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 71.5 t -115.99 113.54 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.6 0.714 . . . . 75.010000000000005 111.705 178.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.08 171.88 22.9 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.331 -0.85 . . . . 52.140000000000001 112.388 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -67.45 124.71 23.94 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.238 0.542 . . . . 71.519999999999996 112.169 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -64.54 104.74 0.84 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.996 -0.547 . . . . 73.120000000000005 111.52 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -130.51 175.85 8.64 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.636 0.731 . . . . 74.450000000000003 112.808 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -77.4 48.5 0.65 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.669 -1.151 . . . . 72.019999999999996 112.629 -174.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.33 -28.84 0.24 Allowed Glycine 0 CA--C 1.526 0.736 0 C-N-CA 121.101 -0.571 . . . . 72.519999999999996 113.296 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.437 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 70.1 mmm -53.09 -50.46 64.34 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.667 0.617 . . . . 74.430000000000007 112.667 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -60.02 -29.74 68.7 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.055 0.455 . . . . 70.0 111.614 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' B' ' 27' ' ' SER . 13.3 m120 -76.32 -48.68 19.18 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.147 0.498 . . . . 73.510000000000005 110.985 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.7 pt20 -66.19 -37.62 86.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.241 -0.436 . . . . 75.329999999999998 111.629 -176.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 22' ' ' ILE . 9.1 mm -61.06 -54.3 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 112.598 0.592 . . . . 74.340000000000003 112.598 -176.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 m -73.36 -26.91 61.21 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.436 0.636 . . . . 63.229999999999997 110.078 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.18 -41.24 92.66 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 115.669 -0.696 . . . . 74.349999999999994 112.38 171.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 21' ' ' GLN . 69.8 t -67.23 -39.99 84.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.045 0.45 . . . . 75.230000000000004 110.853 174.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.436 HG23 HD11 ' A' ' 49' ' ' LEU . 68.2 mt -57.08 -42.04 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 116.146 -0.479 . . . . 75.319999999999993 112.096 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 63.3 p -62.23 -21.97 65.58 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.775 0.321 . . . . 73.219999999999999 111.742 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -79.71 -0.5 34.37 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 111.936 0.347 . . . . 74.239999999999995 111.936 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -75.71 165.66 24.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.788 0.804 . . . . 73.329999999999998 112.977 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.32 -28.94 38.09 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.718 -1.128 . . . . 75.120000000000005 111.203 -177.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 t -86.24 170.09 12.43 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.786 -0.643 . . . . 74.409999999999997 112.463 -174.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.403 ' O ' HG23 ' A' ' 51' ' ' ILE . 26.5 t-20 -99.9 136.83 39.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.059 0.457 . . . . 70.439999999999998 111.267 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.537 HG13 ' ND2' ' B' ' 20' ' ' ASN . 62.4 mt -79.1 103.19 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 121.058 0.456 . . . . 73.140000000000001 111.662 -177.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -75.5 -35.54 60.76 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.072 0.463 . . . . 64.420000000000002 110.447 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.638 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 56.1 m -156.92 132.7 9.47 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.065 -0.516 . . . . 72.140000000000001 111.739 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.741 HD12 ' SG ' ' A' ' 47' ' ' CYS . 9.1 tp -135.66 126.18 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 120.623 0.249 . . . . 74.530000000000001 110.333 172.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.411 HG23 HG13 ' B' ' 37' ' ' VAL . 58.6 t -135.1 104.24 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.83 0.348 . . . . 74.140000000000001 111.758 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.616 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.8 tt -107.49 124.25 49.61 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 110.067 -0.346 . . . . 74.430000000000007 110.067 177.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -131.14 124.98 31.87 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.134 0.492 . . . . 70.349999999999994 111.436 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -98.4 116.39 30.53 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.056 -0.52 . . . . 60.310000000000002 110.729 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.58 146.79 34.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.957 -0.565 . . . . 75.530000000000001 110.7 -177.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.0 t70 66.09 6.38 4.1 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.157 0.428 . . . . 74.450000000000003 112.157 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.06 -1.4 47.62 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.132 -0.556 . . . . 74.329999999999998 113.233 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mt -123.4 164.39 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.61 -0.515 . . . . 71.019999999999996 109.61 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.505 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 30.5 p90 -131.52 143.12 50.15 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.98 -0.45 . . . . 74.129999999999995 111.375 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.528 ' HB ' HG23 ' A' ' 11' ' ' VAL . 2.1 t -120.72 114.08 21.15 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.043 0.449 . . . . 75.219999999999999 111.355 173.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 36' ' ' ILE . 42.8 t -93.62 116.86 29.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.112 -0.495 . . . . 75.310000000000002 110.94 175.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.406 ' O ' HD11 ' A' ' 36' ' ' ILE . 3.3 m-20 -100.88 106.24 17.58 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.775 0.321 . . . . 75.530000000000001 111.246 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.436 HD11 HG23 ' A' ' 26' ' ' ILE . 62.0 tp -98.68 128.41 44.94 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.048 0.451 . . . . 64.329999999999998 111.874 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.54 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 75.8 mmm -121.59 106.82 11.72 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.167 -0.47 . . . . 63.420000000000002 110.716 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.447 HG23 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -142.12 166.0 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 116.113 -0.494 . . . . 74.430000000000007 111.922 -175.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -92.47 135.38 34.1 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.028 0.442 . . . . 75.450000000000003 111.666 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.2 m -125.46 142.05 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 120.993 0.425 . . . . 71.219999999999999 111.182 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -63.8 -29.09 70.33 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.36 0.504 . . . . 71.319999999999993 112.36 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -166.37 175.94 7.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.995 0.426 . . . . 73.329999999999998 111.464 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.7 p -64.26 -35.12 79.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.291 -0.413 . . . . 74.310000000000002 111.954 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -60.77 -41.94 96.51 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.856 0.836 . . . . 74.140000000000001 110.593 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -60.95 -43.08 99.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.782 -1.099 . . . . 73.530000000000001 111.093 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.641 ' HG ' ' HE3' ' A' ' 63' ' ' MET . 52.3 tp -63.0 -47.44 83.09 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.035 -0.53 . . . . 74.219999999999999 111.559 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.8 p -62.77 -29.62 70.84 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.862 0.363 . . . . 73.230000000000004 111.264 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.4 m -67.55 -41.76 83.73 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.863 0.363 . . . . 75.010000000000005 111.383 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.87 -37.35 84.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.829 0.347 . . . . 74.409999999999997 110.973 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.641 ' HE3' ' HG ' ' A' ' 59' ' ' LEU . 56.5 mtt -58.37 -44.2 88.77 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.052 0.453 . . . . 74.340000000000003 111.06 175.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 25.8 t70 -62.72 -43.83 97.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.205 -0.452 . . . . 70.140000000000001 110.753 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -56.09 -48.32 76.35 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.248 0.547 . . . . 74.109999999999999 111.617 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.543 HD13 HD12 ' A' ' 10' ' ' ILE . 52.5 mt -71.26 -26.36 62.86 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.988 -0.551 . . . . 70.519999999999996 111.643 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -79.8 -6.69 57.82 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 120.951 0.405 . . . . 74.340000000000003 111.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 75.5 mmtt -70.66 -7.22 42.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 122.17 -0.331 . . . . 71.299999999999997 111.614 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.1 t -93.36 115.63 32.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.901 0.381 . . . . 74.040000000000006 111.405 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -57.35 -29.77 64.28 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.631 0.604 . . . . 75.430000000000007 112.631 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.72 -9.83 84.89 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.957 -0.64 . . . . 71.099999999999994 113.949 -178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.6 t -100.93 128.41 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 117.325 0.563 . . . . 64.510000000000005 111.679 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.09 -20.74 13.32 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.42 0.526 . . . . 74.209999999999994 112.42 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.599 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.2 p -126.01 124.91 41.74 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.346 0.593 . . . . 73.299999999999997 111.91 177.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.21 104.88 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 109.207 -0.664 . . . . 72.140000000000001 109.207 172.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -137.01 161.24 36.6 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.276 0.473 . . . . 74.010000000000005 112.276 -168.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -84.22 136.02 34.12 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.045 0.45 . . . . 75.219999999999999 111.496 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 9' ' ' ARG . 97.9 mt -82.18 97.76 8.38 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.161 -0.472 . . . . 74.310000000000002 110.16 169.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.8 p -75.37 -60.78 2.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.089 0.471 . . . . 63.100000000000001 110.938 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -68.31 105.08 2.03 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.126 -0.488 . . . . 72.219999999999999 111.283 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 83' ' ' HIS . 81.3 mt -110.3 152.71 25.85 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.121 -0.49 . . . . 74.439999999999998 111.778 -178.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.04 8.3 44.97 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.1 -0.5 . . . . 74.200000000000003 111.968 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.437 ' HD2' ' HB3' ' A' ' 81' ' ' LEU . 31.2 m-70 -72.89 100.69 2.98 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 120.916 0.388 . . . . 61.439999999999998 111.609 -176.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -71.18 -44.28 65.77 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.07 0.462 . . . . 63.299999999999997 111.039 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -112.84 119.12 36.9 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.188 -0.46 . . . . 62.539999999999999 109.919 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -89.76 -11.48 42.08 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.046 0.758 . . . . 75.230000000000004 113.046 -168.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -141.87 116.25 9.55 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.562 0.22 . . . . 73.310000000000002 111.437 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 53.6 t60 . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.518 -0.753 . . . . 73.340000000000003 111.713 177.799 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tpt . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.915 0.388 . . . . 74.340000000000003 111.261 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 14.4 t -160.9 -35.59 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.198 0.523 . . . . 73.219999999999999 110.705 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -74.87 156.72 36.12 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.86 -0.609 . . . . 62.409999999999997 110.918 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -129.12 158.77 38.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.217 0.532 . . . . 75.530000000000001 111.173 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.517 HD21 ' CE1' ' B' ' 83' ' ' HIS . 47.1 tp -77.03 107.04 9.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.834 -0.621 . . . . 74.450000000000003 110.797 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.443 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -101.18 154.38 18.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.117 -0.492 . . . . 61.109999999999999 112.101 -177.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.49 ' HA2' ' O ' ' B' ' 49' ' ' LEU . . . -131.26 142.65 14.04 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.203 -0.453 . . . . 70.340000000000003 113.081 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.712 HD11 HD21 ' B' ' 49' ' ' LEU . 46.4 mt -127.44 145.45 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 122.476 -0.426 . . . . 65.420000000000002 111.53 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.656 HH21 ' ND2' ' B' ' 48' ' ' ASN . 17.6 tpp85 -119.79 121.53 39.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.741 0.416 . . . . 73.400000000000006 111.255 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.744 HD11 HD12 ' B' ' 66' ' ' LEU . 42.5 mt -119.44 118.1 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.406 -0.361 . . . . 75.530000000000001 111.163 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.571 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 74.6 t -120.31 116.94 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.385 0.612 . . . . 74.239999999999995 111.028 174.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.43 171.08 26.6 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.694 -0.685 . . . . 54.509999999999998 112.899 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.74 138.57 48.58 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.459 0.647 . . . . 72.319999999999993 112.365 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -78.41 85.02 4.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.816 -0.629 . . . . 73.530000000000001 111.898 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -96.03 161.16 14.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.536 0.684 . . . . 73.450000000000003 112.441 170.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -47.58 -37.03 11.56 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.605 -1.179 . . . . 75.400000000000006 112.9 -175.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.11 -0.68 20.86 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.944 -0.646 . . . . 55.140000000000001 114.151 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.442 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 34.7 mmm -69.32 -52.0 31.57 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 117.808 0.804 . . . . 65.420000000000002 112.9 -176.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 67.7 p -63.09 -28.99 70.46 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.3 0.571 . . . . 75.329999999999998 111.051 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.537 ' ND2' HG13 ' A' ' 33' ' ' ILE . 11.6 m120 -76.1 -48.33 21.12 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.902 -0.59 . . . . 73.409999999999997 111.089 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.513 ' O ' HG22 ' B' ' 25' ' ' VAL . 10.1 pt20 -66.78 -38.49 86.65 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.063 -0.517 . . . . 63.219999999999999 111.336 -177.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.532 ' O ' HG12 ' B' ' 26' ' ' ILE . 11.9 mm -60.81 -54.17 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 112.006 0.373 . . . . 62.119999999999997 112.006 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.406 HG21 HG23 ' A' ' 36' ' ' ILE . 7.1 m -70.52 -26.94 63.81 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.466 0.65 . . . . 75.430000000000007 110.449 178.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.602 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -60.18 -52.28 53.73 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 120.979 -0.629 . . . . 73.329999999999998 112.277 172.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.513 HG22 ' O ' ' B' ' 21' ' ' GLN . 88.2 t -57.09 -38.08 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 120.696 0.284 . . . . 72.109999999999999 111.161 177.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.683 HD12 HD22 ' B' ' 49' ' ' LEU . 51.2 mm -52.76 -47.85 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 121.403 0.62 . . . . 62.43 110.921 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' A' ' 20' ' ' ASN . 5.6 m -61.12 -30.59 70.46 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.656 -0.702 . . . . 75.409999999999997 111.391 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.602 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 44.7 mtpt -81.49 -0.29 41.17 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.999 -0.546 . . . . 73.129999999999995 112.334 -173.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -72.54 169.49 16.37 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.565 0.698 . . . . 73.010000000000005 112.537 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -27.53 57.72 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.364 -0.835 . . . . 61.530000000000001 111.526 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 9.9 t -86.43 168.82 13.43 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.766 -0.652 . . . . 75.019999999999996 112.607 -172.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -99.45 128.43 45.56 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.964 -0.562 . . . . 73.099999999999994 110.837 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.48 ' HA ' HG21 ' B' ' 51' ' ' ILE . 64.7 mt -76.51 112.38 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 112.52 0.563 . . . . 73.409999999999997 112.52 -175.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -84.63 -40.63 17.22 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.017 0.437 . . . . 75.209999999999994 110.85 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 31.2 m -152.11 133.33 14.4 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.921 0.391 . . . . 63.119999999999997 111.517 178.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.616 HG22 ' HB3' ' A' ' 38' ' ' LEU . 9.3 tp -138.24 131.5 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 120.921 0.391 . . . . 73.329999999999998 110.426 174.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.522 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 85.1 t -126.29 141.88 44.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.477 -0.329 . . . . 74.049999999999997 110.841 178.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.638 ' O ' ' HA ' ' A' ' 35' ' ' THR . 9.0 tt -144.65 112.67 6.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.392 -0.596 . . . . 65.439999999999998 109.392 169.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.421 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 3.0 p-10 -125.67 115.98 20.96 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.218 0.533 . . . . 74.319999999999993 111.047 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.561 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -103.35 129.81 50.49 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.737 0.643 . . . . 52.32 112.737 -175.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' B' ' 41' ' ' LYS . 0.1 OUTLIER -144.45 151.85 39.79 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.688 -0.687 . . . . 70.439999999999998 110.605 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 67.01 9.46 6.92 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 112.356 0.502 . . . . 73.340000000000003 112.356 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.87 15.73 59.08 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 120.915 -0.659 . . . . 71.219999999999999 112.637 -173.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.5 mt -131.35 159.94 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 122.898 0.479 . . . . 75.299999999999997 109.779 175.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.561 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 42.7 p90 -129.37 148.98 51.34 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.942 -0.474 . . . . 75.430000000000007 111.449 177.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -122.81 101.05 7.22 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.274 0.559 . . . . 63.329999999999998 111.446 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.576 ' HB3' ' HB ' ' B' ' 10' ' ' ILE . 45.8 t -88.02 131.52 34.61 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.104 -0.498 . . . . 73.200000000000003 111.998 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.656 ' ND2' HH21 ' B' ' 9' ' ' ARG . 3.3 m-20 -113.25 108.19 16.92 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.304 -0.407 . . . . 75.120000000000005 110.455 177.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.712 HD21 HD11 ' B' ' 8' ' ' ILE . 39.2 tp -98.43 128.45 44.81 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.695 0.283 . . . . 72.420000000000002 111.692 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.496 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 63.2 mmm -125.17 106.29 9.79 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.921 0.391 . . . . 71.430000000000007 111.303 177.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.48 HG21 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -145.86 159.86 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.095 0.474 . . . . 63.229999999999997 111.931 -176.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -87.49 131.03 34.49 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.085 0.469 . . . . 75.340000000000003 111.823 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 20.1 m -122.23 141.83 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 121.049 0.452 . . . . 74.530000000000001 111.534 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.575 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 18.3 ptpt -69.36 -25.9 64.4 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.135 -0.484 . . . . 75.420000000000002 112.274 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.575 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 8.9 p30 -158.39 169.76 23.75 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.892 0.377 . . . . 63.229999999999997 111.57 177.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.0 p -68.81 -36.98 78.92 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.222 0.452 . . . . 64.340000000000003 112.222 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.33 -34.58 78.67 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.36 0.6 . . . . 73.430000000000007 110.374 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -58.07 -44.13 87.34 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.719 -0.673 . . . . 72.439999999999998 110.515 172.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.48 ' HG ' ' HE2' ' B' ' 63' ' ' MET . 61.4 tp -63.77 -47.51 80.67 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.955 -0.566 . . . . 72.450000000000003 111.351 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' THR . . . . . 0.495 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 71.7 p -66.11 -29.84 70.23 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.56 -0.291 . . . . 65.519999999999996 111.253 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 45.3 m -61.74 -42.75 99.38 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.793 0.33 . . . . 60.530000000000001 111.019 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 64.2 mt -59.18 -40.86 86.99 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.713 0.292 . . . . 74.519999999999996 110.79 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.495 ' SD ' ' HA ' ' B' ' 60' ' ' THR . 55.3 mtt -54.04 -51.65 63.34 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.091 0.472 . . . . 73.420000000000002 110.848 174.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.422 ' O ' ' HE2' ' B' ' 68' ' ' LYS . 20.6 t70 -58.12 -44.6 87.82 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.688 -0.687 . . . . 73.219999999999999 110.869 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -57.52 -45.4 85.04 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.079 0.466 . . . . 74.420000000000002 111.68 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.744 HD12 HD11 ' B' ' 10' ' ' ILE . 41.2 mt -75.71 -26.39 57.48 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.989 -0.55 . . . . 74.310000000000002 111.631 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -74.93 -8.7 57.24 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.319 -0.4 . . . . 75.340000000000003 112.0 -177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' B' ' 64' ' ' ASP . 72.5 mmtt -72.75 -18.64 61.49 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.698 0.285 . . . . 71.239999999999995 111.668 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 45.0 t -75.98 120.34 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.04 0.448 . . . . 74.140000000000001 111.812 -175.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -32.24 48.71 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.035 0.754 . . . . 65.219999999999999 113.035 -177.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.26 -24.98 72.0 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 121.15 -0.548 . . . . 71.239999999999995 113.658 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 52.7 t -86.69 136.74 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 122.266 -0.549 . . . . 75.329999999999998 111.437 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -122.02 -7.01 8.93 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.08 0.4 . . . . 73.340000000000003 112.08 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.571 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.2 p -137.93 121.94 17.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.978 0.418 . . . . 74.439999999999998 111.319 174.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 34.4 t -132.15 104.84 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 N-CA-C 109.855 -0.424 . . . . 72.019999999999996 109.855 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -128.13 175.26 8.56 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.241 0.543 . . . . 74.430000000000007 112.43 -172.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.414 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 31.2 ttp180 -98.18 142.07 30.32 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.858 -0.61 . . . . 73.129999999999995 111.374 175.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' B' ' 9' ' ' ARG . 93.4 mt -95.61 121.73 37.61 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.543 -0.299 . . . . 71.450000000000003 110.545 174.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 33.1 t -99.83 -40.83 7.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.871 0.367 . . . . 73.209999999999994 111.306 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -83.53 82.68 8.19 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.622 0.725 . . . . 73.129999999999995 111.229 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.499 ' O ' ' HD2' ' B' ' 83' ' ' HIS . 52.4 mt -85.94 -27.29 25.03 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.745 -0.662 . . . . 72.040000000000006 112.596 -176.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.743 ' HG3' ' H ' ' B' ' 83' ' ' HIS . 9.9 pt-20 58.46 -89.54 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.63 1.172 . . . . 70.340000000000003 110.68 -173.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.743 ' H ' ' HG3' ' B' ' 82' ' ' GLU . 10.8 m-70 68.25 -26.34 0.14 Allowed 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 113.791 1.034 . . . . 73.219999999999999 113.791 172.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . 0.425 ' H ' ' C ' ' B' ' 82' ' ' GLU . 37.9 m80 -141.57 100.01 3.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.999 0.519 . . . . 74.430000000000007 109.711 174.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -67.94 98.48 0.75 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.513 0.56 . . . . 70.439999999999998 112.513 -174.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -116.37 -6.34 11.77 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.019 -0.537 . . . . 74.219999999999999 111.446 174.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -150.94 125.04 9.3 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.427 -0.352 . . . . 73.549999999999997 110.896 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.585 -0.721 . . . . 71.329999999999998 111.429 178.47 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.566 ' N ' ' SD ' ' A' ' 1' ' ' MET . 3.1 mpp? . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 121.05 0.452 . . . . 72.010000000000005 110.779 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.9 m -88.43 81.83 7.12 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.106 0.479 . . . . 71.209999999999994 110.379 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -161.18 152.42 18.8 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.844 -0.616 . . . . 75.420000000000002 111.034 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -142.49 162.78 34.6 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.976 0.417 . . . . 73.450000000000003 111.288 -178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.7 tp -84.33 105.54 15.25 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.17 0.509 . . . . 73.329999999999998 111.073 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.74 161.01 14.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 74.329999999999998 111.617 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -139.26 146.32 17.89 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 120.987 -0.625 . . . . 54.43 113.438 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.0 mt -135.18 127.72 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.596 0.359 . . . . 75.209999999999994 110.592 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.491 ' HB2' HD22 ' A' ' 78' ' ' LEU . 16.3 ttt180 -102.47 127.06 49.68 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.158 0.504 . . . . 73.140000000000001 111.491 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.412 HD13 HD12 ' A' ' 66' ' ' LEU . 36.0 mt -116.01 117.73 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 115.718 -0.674 . . . . 74.329999999999998 111.211 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.603 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 68.8 t -119.58 115.48 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 121.535 0.683 . . . . 62.399999999999999 110.802 173.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.04 169.36 24.99 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.449 -0.796 . . . . 54.299999999999997 112.443 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -75.98 129.67 37.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.228 0.537 . . . . 73.439999999999998 111.825 -176.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -72.37 117.0 13.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.103 -0.499 . . . . 62.509999999999998 110.761 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -163.93 135.55 4.73 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.314 0.487 . . . . 72.319999999999993 112.314 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 p30 41.84 22.08 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.136 1.532 . . . . 73.329999999999998 115.136 173.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.79 22.71 7.87 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 121.072 -0.585 . . . . 61.219999999999999 114.342 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.465 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 24.4 mmm -53.8 -44.18 69.95 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.118 0.485 . . . . 74.319999999999993 111.613 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 64.1 p -59.56 -30.17 68.45 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.262 -0.426 . . . . 74.25 111.726 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.419 ' OD1' ' HA ' ' B' ' 32' ' ' ASN . 14.0 m120 -76.72 -49.32 16.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.96 0.41 . . . . 74.040000000000006 110.814 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.465 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.0 pt20 -64.33 -40.93 96.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.224 -0.443 . . . . 75.109999999999999 111.521 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 22' ' ' ILE . 11.2 mm -56.86 -53.61 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.494 0.553 . . . . 74.109999999999999 112.494 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.468 HG22 HG21 ' B' ' 23' ' ' THR . 17.4 m -73.77 -27.44 61.16 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.074 0.464 . . . . 74.319999999999993 110.618 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.23 98.32 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.03 -0.605 . . . . 72.010000000000005 112.33 173.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 21' ' ' GLN . 87.2 t -67.24 -38.94 81.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.916 0.388 . . . . 61.020000000000003 111.105 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.424 HG22 HD12 ' A' ' 49' ' ' LEU . 61.9 mt -53.89 -44.31 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 N-CA-C 112.318 0.488 . . . . 74.319999999999993 112.318 178.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.8 p -60.24 -22.33 62.9 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.236 0.458 . . . . 72.409999999999997 112.236 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -80.63 -5.26 56.65 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 112.517 0.562 . . . . 74.549999999999997 112.517 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -67.53 173.42 4.15 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.942 0.719 . . . . 72.25 112.942 -176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.44 7.88 10.76 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.697 -0.683 . . . . 75.129999999999995 111.813 -178.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -134.43 168.81 18.26 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.437 0.532 . . . . 72.530000000000001 112.437 -172.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.632 ' HA ' HD22 ' B' ' 20' ' ' ASN . 22.2 m120 -105.82 127.94 53.42 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.207 0.527 . . . . 73.230000000000004 111.721 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.47 ' HA ' HG21 ' A' ' 51' ' ' ILE . 3.1 mp -70.79 121.59 20.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.891 -0.595 . . . . 75.230000000000004 111.2 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.22 -23.45 16.17 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.073 0.463 . . . . 72.530000000000001 111.12 176.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 70.5 m -155.59 132.69 10.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.157 -0.474 . . . . 71.120000000000005 110.927 177.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.678 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.7 tp -137.98 126.43 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 120.919 0.39 . . . . 72.409999999999997 110.389 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.5 t -126.63 104.32 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 120.707 0.289 . . . . 70.329999999999998 110.921 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.5 tt -115.43 114.89 25.67 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.918 -0.401 . . . . 71.310000000000002 109.918 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.458 ' HB3' HG21 ' B' ' 35' ' ' THR . 4.2 p-10 -130.82 119.85 22.85 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.398 0.618 . . . . 72.430000000000007 111.545 178.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -99.63 123.27 43.74 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.818 -0.628 . . . . 71.049999999999997 111.582 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HD3' ' N ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -137.54 145.33 42.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.098 -0.501 . . . . 72.299999999999997 110.796 178.28 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 57.61 19.79 5.71 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.89 0.7 . . . . 75.129999999999995 112.89 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.41 0.8 59.39 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.206 -0.521 . . . . 71.450000000000003 113.968 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.95 159.71 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 117.057 0.429 . . . . 75.140000000000001 110.057 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 42.7 p90 -127.67 146.17 50.65 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 122.212 -0.305 . . . . 74.239999999999995 111.303 177.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.402 HG21 ' OD1' ' A' ' 39' ' ' ASN . 2.0 t -122.06 99.85 6.66 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.101 0.477 . . . . 74.319999999999993 110.865 174.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.678 ' SG ' HD11 ' A' ' 36' ' ' ILE . 52.9 t -96.93 118.46 33.4 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.449 -0.341 . . . . 71.040000000000006 111.641 -178.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.447 ' O ' HD13 ' A' ' 36' ' ' ILE . 70.1 m-20 -99.11 112.34 24.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.815 0.34 . . . . 74.310000000000002 110.757 178.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.424 HD12 HG22 ' A' ' 26' ' ' ILE . 33.6 tp -97.34 123.87 41.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.15 -0.477 . . . . 71.030000000000001 111.413 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.401 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 63.5 mmm -118.97 111.72 18.69 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.028 0.442 . . . . 75.239999999999995 111.23 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.47 HG21 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -140.53 158.43 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.011 -0.54 . . . . 63.409999999999997 111.836 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -92.0 133.7 35.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.91 0.386 . . . . 74.420000000000002 111.948 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.05 153.0 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 116.246 -0.434 . . . . 74.140000000000001 111.217 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . 41.5 mtmt -85.74 -31.8 22.22 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.239 0.542 . . . . 75.549999999999997 110.566 173.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -137.12 148.6 46.78 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.853 -0.612 . . . . 54.210000000000001 111.757 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.4 p -64.77 -20.47 66.38 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.304 -0.407 . . . . 74.319999999999993 111.4 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.4 -49.99 75.37 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.249 -0.432 . . . . 73.430000000000007 111.351 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.714 ' HZ1' ' HB2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -61.88 -32.81 73.2 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.951 0.405 . . . . 64.239999999999995 109.941 177.573 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.7 tp -65.48 -47.55 75.65 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.948 -0.569 . . . . 71.049999999999997 111.456 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.7 p -68.74 -30.34 68.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.104 0.478 . . . . 72.25 111.143 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 95.3 m -61.4 -43.41 98.91 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.286 -0.416 . . . . 75.25 111.115 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 58' ' ' LYS . 63.7 mt -59.33 -38.33 80.05 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.501 -0.318 . . . . 72.420000000000002 111.217 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.403 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 58.8 mtt -54.55 -50.56 67.62 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.279 -0.418 . . . . 65.430000000000007 111.092 177.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 18.8 t70 -57.09 -43.5 82.25 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.231 -0.441 . . . . 73.450000000000003 110.95 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -58.23 -45.01 88.51 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.264 0.554 . . . . 75.209999999999994 111.245 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.412 HD12 HD13 ' A' ' 10' ' ' ILE . 64.7 mt -68.53 -32.14 71.88 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.056 -0.52 . . . . 73.450000000000003 111.429 178.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 63' ' ' MET . 88.9 mtt180 -75.01 -8.76 57.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.283 -0.417 . . . . 75.519999999999996 111.816 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.57 ' HE3' ' HA ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -72.4 -12.82 61.27 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.631 0.253 . . . . 75.329999999999998 111.235 175.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 68.8 t -86.52 123.96 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.214 0.531 . . . . 71.030000000000001 111.375 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -59.58 -34.44 72.72 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.399 0.518 . . . . 74.450000000000003 112.399 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.22 -20.32 74.91 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 121.032 -0.604 . . . . 62.310000000000002 114.325 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.3 t -93.17 145.97 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 117.839 0.819 . . . . 71.349999999999994 111.831 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -127.68 -11.23 5.55 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.752 0.649 . . . . 72.310000000000002 112.752 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.603 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.4 p -134.55 124.28 25.22 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.877 -0.515 . . . . 74.420000000000002 111.816 175.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.6 t -135.99 106.4 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.703 -0.48 . . . . 74.200000000000003 109.703 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -128.47 163.38 25.04 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.405 0.52 . . . . 61.329999999999998 112.405 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -85.04 142.93 29.22 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.051 0.453 . . . . 75.150000000000006 111.418 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 9' ' ' ARG . 96.7 mt -105.05 100.81 10.4 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.839 0.352 . . . . 74.409999999999997 110.824 175.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 p -79.99 -60.82 2.19 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.124 0.488 . . . . 74.219999999999999 111.206 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -72.92 119.36 17.06 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.046 -0.524 . . . . 74.329999999999998 110.4 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.8 mt -122.06 148.93 44.24 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.293 0.568 . . . . 71.349999999999994 112.306 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -92.87 27.46 2.39 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.52 0.676 . . . . 74.049999999999997 110.691 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -91.75 162.91 14.27 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.835 -0.62 . . . . 75.140000000000001 111.591 -176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -118.4 97.04 5.56 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.407 -0.361 . . . . 73.510000000000005 111.753 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -79.31 -15.36 58.07 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 122.371 -0.206 . . . . 72.430000000000007 111.553 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 37.3 m80 58.24 77.43 0.29 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.565 -0.531 . . . . 64.239999999999995 109.565 -171.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -51.26 112.74 0.78 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.333 0.864 . . . . 63.520000000000003 113.333 -172.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 48.6 m80 . . . . . 0 C--O 1.253 1.277 0 CA-C-N 115.299 -0.864 . . . . 74.209999999999994 110.88 176.016 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.0 mmm . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 112.046 0.387 . . . . 64.5 112.046 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -88.93 12.35 15.56 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.399 0.619 . . . . 71.25 111.002 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER -92.06 153.55 19.32 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.654 -0.703 . . . . 74.150000000000006 112.421 -174.144 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -151.85 158.47 43.29 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.912 -0.585 . . . . 75.540000000000006 111.102 177.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.8 tp -77.56 109.02 11.15 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.018 -0.537 . . . . 75.219999999999999 111.083 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.459 ' HB3' HD23 ' B' ' 59' ' ' LEU . . . -102.61 158.94 15.88 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.968 -0.56 . . . . 75.340000000000003 111.849 -178.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.07 137.74 9.47 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.221 -0.514 . . . . 54.130000000000003 113.342 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 mt -121.93 147.18 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 122.74 0.416 . . . . 74.219999999999999 110.754 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.554 ' NE ' HG23 ' B' ' 11' ' ' VAL . 0.5 OUTLIER -122.25 118.46 28.6 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.543 -0.298 . . . . 71.340000000000003 110.199 -179.114 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.584 ' O ' ' HA ' ' B' ' 46' ' ' THR . 34.3 mt -115.04 118.62 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 122.389 0.276 . . . . 74.219999999999999 111.448 -176.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.739 ' HB ' ' HG1' ' B' ' 74' ' ' THR . 55.4 t -119.72 120.26 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.247 0.546 . . . . 71.209999999999994 111.781 175.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.23 169.24 28.92 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.731 -0.668 . . . . 75.329999999999998 112.851 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.65 137.44 58.1 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 122.446 -0.444 . . . . 74.230000000000004 111.973 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -79.43 46.32 0.73 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.764 0.653 . . . . 75.310000000000002 112.764 -170.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -61.94 158.24 16.69 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 114.797 1.406 . . . . 74.439999999999998 114.797 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.08 64.88 0.06 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 113.48 -1.691 . . . . 75.349999999999994 111.472 171.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.31 -38.35 0.59 Allowed Glycine 0 CA--C 1.528 0.873 0 CA-C-N 116.056 -0.52 . . . . 54.200000000000003 113.179 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.574 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 35.0 mmm -52.68 -50.61 62.94 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.697 0.629 . . . . 72.329999999999998 112.697 -178.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -56.73 -31.74 64.83 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.023 0.379 . . . . 72.430000000000007 112.023 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.632 HD22 ' HA ' ' A' ' 32' ' ' ASN . 1.8 m-20 -76.82 -48.3 18.89 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.108 0.48 . . . . 73.120000000000005 110.877 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.478 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 8.5 pt20 -65.55 -34.55 78.52 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.033 -0.53 . . . . 74.540000000000006 111.531 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.437 ' O ' HG13 ' B' ' 26' ' ' ILE . 10.0 mm -62.22 -53.78 43.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 111.923 0.342 . . . . 73.439999999999998 111.923 -178.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.468 HG21 HG22 ' A' ' 23' ' ' THR . 4.7 m -73.49 -27.13 61.22 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.034 0.445 . . . . 71.420000000000002 110.463 177.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -58.94 -48.39 85.95 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.277 -0.487 . . . . 64.340000000000003 112.475 173.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.18 -36.1 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 O-C-N 122.328 -0.513 . . . . 75.129999999999995 110.946 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.446 ' O ' ' HB2' ' B' ' 29' ' ' PHE . 77.7 mt -62.74 -36.81 77.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 111.906 0.336 . . . . 72.140000000000001 111.906 176.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 82.7 p -70.56 -22.81 62.55 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.887 -0.508 . . . . 73.230000000000004 110.786 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 50.1 mtpt -82.11 -5.54 58.5 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.259 -0.428 . . . . 73.230000000000004 111.551 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' B' ' 26' ' ' ILE . 2.3 m-30 -64.66 160.57 19.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.548 1.166 . . . . 74.430000000000007 113.85 -173.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.71 -27.87 68.65 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.5 -1.682 . . . . 72.129999999999995 112.329 177.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.4 t -105.19 169.22 8.57 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.351 0.5 . . . . 72.5 112.351 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . 0.485 ' O ' HG21 ' B' ' 51' ' ' ILE . 14.6 m120 -97.99 128.92 44.85 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.991 0.424 . . . . 72.219999999999999 111.755 -176.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.5 103.47 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 116.205 -0.452 . . . . 71.319999999999993 111.395 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -82.13 -38.39 24.84 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.378 0.608 . . . . 75.129999999999995 110.302 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 27.3 m -155.7 152.42 28.57 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.619 -0.719 . . . . 73.129999999999995 109.956 175.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.515 HG22 ' HB3' ' A' ' 38' ' ' LEU . 20.1 tt -162.35 135.8 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 121.051 0.453 . . . . 74.530000000000001 111.893 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 62.5 t -130.73 109.92 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.049 -0.523 . . . . 75.530000000000001 111.083 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.1 tt -110.02 112.21 24.07 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.975 -0.38 . . . . 74.430000000000007 109.975 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -131.66 135.24 46.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 120.989 0.423 . . . . 72.349999999999994 111.547 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.502 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -108.6 129.14 55.32 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.174 0.511 . . . . 73.099999999999994 112.08 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.71 151.39 37.93 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.878 -0.601 . . . . 72.030000000000001 110.43 175.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 61.4 13.35 4.95 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.079 0.466 . . . . 72.540000000000006 111.767 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.19 19.12 61.38 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-N 116.377 -0.374 . . . . 75.409999999999997 113.063 -176.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mt -135.03 145.94 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 122.461 -0.435 . . . . 75.430000000000007 110.216 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.502 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 36.1 p90 -115.45 144.37 43.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.011 0.434 . . . . 72.319999999999993 111.251 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.584 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 2.5 t -118.14 107.27 13.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 72.519999999999996 111.112 175.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.464 ' SG ' HD12 ' B' ' 36' ' ' ILE . 47.8 t -94.26 97.43 10.24 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.19 -0.459 . . . . 71.310000000000002 111.172 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 3.1 m-20 -83.56 111.76 19.39 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.4 -0.364 . . . . 75.430000000000007 111.314 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 54.4 tp -99.99 130.7 46.18 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.954 0.407 . . . . 73.420000000000002 111.807 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.568 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.0 mmm -120.95 113.62 20.36 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.936 0.398 . . . . 64.239999999999995 110.774 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.485 HG21 ' O ' ' B' ' 32' ' ' ASN . 2.3 pp -144.68 162.15 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 116.336 -0.393 . . . . 73.400000000000006 111.695 -176.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -90.35 135.48 33.65 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.102 0.477 . . . . 74.109999999999999 111.765 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 12.9 m -129.47 160.15 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.768 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -88.74 -11.6 44.6 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.762 0.315 . . . . 75.319999999999993 111.808 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.403 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 5.6 p30 -175.28 163.83 3.13 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.859 0.463 . . . . 75.409999999999997 110.584 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.7 p -64.45 -29.7 70.75 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.626 0.602 . . . . 73.340000000000003 112.626 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.32 -36.07 78.74 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.922 0.868 . . . . 54.009999999999998 110.125 177.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 22.7 tptp -62.35 -29.8 70.72 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.173 -0.921 . . . . 75.439999999999998 110.795 172.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.576 ' HG ' ' HE1' ' B' ' 63' ' ' MET . 58.8 tp -77.13 -48.05 18.75 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.929 -0.578 . . . . 73.310000000000002 111.485 177.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 68.7 p -58.65 -37.61 76.34 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.032 0.444 . . . . 74.049999999999997 111.356 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 31.7 m -52.22 -40.24 61.33 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.04 -0.527 . . . . 75.340000000000003 112.007 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.24 -33.8 73.83 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.845 0.355 . . . . 74.200000000000003 110.97 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.576 ' HE1' ' HG ' ' B' ' 59' ' ' LEU . 51.1 mtt -61.72 -46.6 88.97 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.001 0.429 . . . . 74.329999999999998 110.62 176.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 34.8 t70 -57.83 -45.77 85.68 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.999 -0.546 . . . . 71.129999999999995 110.772 176.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.435 ' HD3' ' CE1' ' B' ' 29' ' ' PHE . 72.9 mttt -53.71 -49.59 67.74 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.215 0.531 . . . . 75.299999999999997 111.804 175.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.575 HD12 HD12 ' B' ' 10' ' ' ILE . 43.7 mt -70.71 -29.36 65.62 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.869 -0.605 . . . . 72.109999999999999 111.782 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -76.89 -8.22 56.95 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 120.704 0.288 . . . . 75.510000000000005 111.659 -177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 68.6 mmtt -74.07 -5.98 44.82 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.615 0.245 . . . . 73.200000000000003 111.56 176.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.3 t -86.52 128.93 39.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 120.963 0.411 . . . . 71.420000000000002 111.601 -176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -64.72 -30.09 71.09 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.759 0.651 . . . . 63.340000000000003 112.759 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.574 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -79.95 -17.74 74.07 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 120.834 -0.698 . . . . 71.030000000000001 114.106 -177.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . 0.488 HG21 ' HE1' ' B' ' 18' ' ' MET . 58.9 t -95.81 141.28 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 117.372 0.586 . . . . 65.109999999999999 111.437 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.05 -20.06 9.49 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.233 0.457 . . . . 75.140000000000001 112.233 177.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.739 ' HG1' ' HB ' ' B' ' 11' ' ' VAL . 1.3 p -131.12 118.87 21.11 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.862 0.363 . . . . 63.310000000000002 111.847 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' B' ' 66' ' ' LEU . 21.8 t -130.74 103.25 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 109.733 -0.469 . . . . 72.519999999999996 109.733 171.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -129.9 177.92 6.91 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.092 0.472 . . . . 53.200000000000003 111.683 -173.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.439 ' HB2' ' HE3' ' B' ' 63' ' ' MET . 11.3 ttp180 -92.23 145.48 24.46 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.212 0.53 . . . . 72.430000000000007 112.026 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -93.27 100.33 12.71 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.07 -0.514 . . . . 62.299999999999997 110.155 171.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 34.3 t -80.31 -21.25 42.75 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 112.05 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -112.68 108.72 17.87 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.721 0.296 . . . . 72.519999999999996 111.218 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 63.7 mt -108.74 166.77 10.56 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.036 0.446 . . . . 75.340000000000003 111.605 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.05 16.39 2.45 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.565 0.58 . . . . 74.019999999999996 112.565 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -59.08 -30.03 67.77 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.045 0.387 . . . . 63.539999999999999 112.045 -174.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -93.6 97.51 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.011 -0.737 . . . . 75.129999999999995 109.011 162.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -71.85 73.69 0.85 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.538 -0.756 . . . . 75.409999999999997 112.462 -169.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -82.88 93.34 7.47 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.365 -0.38 . . . . 75.400000000000006 110.733 173.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -71.85 126.42 29.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.902 0.382 . . . . 73.420000000000002 111.896 -175.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 14.0 p80 . . . . . 0 C--O 1.254 1.291 0 CA-C-O 118.492 -0.766 . . . . 75.209999999999994 111.338 176.031 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 ptp . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 120.8 0.334 . . . . 74.129999999999995 111.118 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t -168.02 162.33 13.2 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.418 -0.356 . . . . 64.129999999999995 111.164 173.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -159.94 152.23 20.82 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.853 0.359 . . . . 65.049999999999997 111.442 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 p90 -147.43 157.08 43.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.972 0.415 . . . . 75.400000000000006 110.724 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.8 tp -79.75 107.08 12.25 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.093 0.473 . . . . 75.430000000000007 110.641 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.433 ' HB3' HD13 ' A' ' 59' ' ' LEU . . . -96.32 144.73 26.22 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.101 0.408 . . . . 64.319999999999993 112.101 -177.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.27 137.64 13.82 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 121.373 -0.442 . . . . 72.319999999999993 113.241 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.465 HD11 HD21 ' A' ' 49' ' ' LEU . 35.8 mt -126.71 148.82 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.01 0.524 . . . . 73.129999999999995 110.371 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.423 ' HB2' HD21 ' A' ' 78' ' ' LEU . 59.7 ttt180 -131.14 121.88 25.67 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.844 0.355 . . . . 72.319999999999993 111.01 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.724 HD12 HD13 ' A' ' 66' ' ' LEU . 28.7 mt -113.03 116.68 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 116.1 -0.5 . . . . 73.219999999999999 110.929 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.612 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.9 t -116.95 114.6 46.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.581 0.705 . . . . 63.340000000000003 111.555 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.21 172.55 26.78 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 115.46 -0.791 . . . . 54.409999999999997 112.631 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 71' ' ' GLY . 15.3 pt-20 -65.27 139.07 58.58 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.974 0.416 . . . . 72.120000000000005 111.56 -178.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -78.56 45.78 0.6 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 112.793 0.664 . . . . 74.400000000000006 112.793 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -63.35 161.0 14.83 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 114.212 1.19 . . . . 74.230000000000004 114.212 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -45.38 -33.83 2.74 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 113.426 -1.715 . . . . 73.140000000000001 114.282 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.25 -0.09 8.12 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 120.801 -0.714 . . . . 73.140000000000001 114.097 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.591 ' SD ' ' HA3' ' A' ' 71' ' ' GLY . 38.2 mmm -68.43 -52.03 37.26 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.062 0.764 . . . . 73.340000000000003 113.062 -175.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.7 p -60.51 -31.09 70.16 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.09 0.471 . . . . 74.329999999999998 111.459 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -75.79 -47.76 24.48 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.979 -0.555 . . . . 73.409999999999997 110.771 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.4 pt20 -67.16 -35.24 79.25 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.036 0.384 . . . . 74.129999999999995 112.036 -177.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.2 mm -60.57 -53.32 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.213 0.449 . . . . 74.430000000000007 112.213 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 m -71.03 -27.65 63.82 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.098 0.475 . . . . 74.310000000000002 110.54 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.09 -45.15 95.7 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 121.166 -0.54 . . . . 74.209999999999994 112.445 172.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 21' ' ' GLN . 96.4 t -64.74 -37.72 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 121.117 0.484 . . . . 72.030000000000001 111.009 175.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.4 HG22 HD11 ' A' ' 49' ' ' LEU . 69.0 mt -59.06 -39.31 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.095 0.474 . . . . 75.510000000000005 111.392 175.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 m -58.67 -22.3 56.57 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.241 0.543 . . . . 75.409999999999997 111.503 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -84.49 -1.68 56.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.196 -0.456 . . . . 72.439999999999998 112.109 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -74.59 161.37 29.78 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.343 0.592 . . . . 75.230000000000004 112.044 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -24.06 58.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.776 -0.647 . . . . 75.109999999999999 111.428 -178.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.471 HG21 HD13 ' A' ' 51' ' ' ILE . 4.2 t -91.19 165.41 13.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.147 0.795 . . . . 74.430000000000007 113.147 -170.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -88.89 126.3 35.32 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.681 -0.691 . . . . 74.120000000000005 111.311 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.528 HD13 ' HA ' ' B' ' 20' ' ' ASN . 66.9 mt -67.33 94.49 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.226 0.536 . . . . 75.349999999999994 110.635 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -73.25 -35.47 66.24 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.389 0.614 . . . . 74.420000000000002 110.53 -178.043 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.522 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 23.5 m -158.46 149.42 20.56 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.466 -0.788 . . . . 72.510000000000005 110.048 178.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.429 HD13 HD11 ' A' ' 49' ' ' LEU . 18.6 tt -158.15 135.83 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 120.966 0.412 . . . . 75.230000000000004 111.684 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.557 HG22 HG13 ' B' ' 37' ' ' VAL . 60.3 t -132.28 104.71 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 116.188 -0.46 . . . . 75.530000000000001 111.422 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.525 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.1 tt -107.28 125.11 50.74 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.532 -0.544 . . . . 75.409999999999997 109.532 174.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 45' ' ' PHE . 8.5 p30 -139.47 127.81 22.74 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.763 0.316 . . . . 74.120000000000005 111.2 175.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.551 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -93.09 100.2 12.65 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.309 0.576 . . . . 74.310000000000002 111.186 176.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -112.6 139.06 48.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.951 -0.568 . . . . 75.349999999999994 110.301 179.078 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.6 t70 63.77 17.46 10.49 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.391 0.615 . . . . 65.430000000000007 111.484 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.72 5.52 71.36 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 116.208 -0.451 . . . . 60.509999999999998 113.354 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.412 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 8.9 mt -129.07 144.52 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 122.251 -0.558 . . . . 73.409999999999997 110.643 176.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 37.3 p90 -108.65 139.09 43.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.986 0.422 . . . . 75.120000000000005 111.704 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 t -115.35 100.54 8.19 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.098 0.475 . . . . 73.129999999999995 110.794 173.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.427 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 47.0 t -89.64 101.3 13.99 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.254 -0.43 . . . . 74.219999999999999 111.486 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -88.32 108.72 19.48 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.286 -0.416 . . . . 75.530000000000001 110.98 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 8' ' ' ILE . 58.9 tp -98.21 135.2 40.2 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.67 0.388 . . . . 61.210000000000001 111.75 -178.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.522 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 64.7 mmm -125.95 110.35 13.5 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.962 0.41 . . . . 65.129999999999995 111.069 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.487 HG21 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -140.75 160.15 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 121.007 0.432 . . . . 74.430000000000007 111.978 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -91.79 121.93 33.87 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.296 0.57 . . . . 70.310000000000002 112.048 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.9 m -111.58 145.49 17.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 115.844 -0.617 . . . . 71.239999999999995 111.402 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.682 ' HZ3' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -75.29 -17.99 60.15 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.204 0.446 . . . . 73.209999999999994 112.204 176.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.476 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 11.3 p30 -169.59 179.34 3.82 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.87 0.366 . . . . 75.340000000000003 111.539 177.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.2 p -69.97 -35.82 74.75 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.286 0.476 . . . . 60.409999999999997 112.286 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.16 -36.85 85.39 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.521 0.677 . . . . 72.430000000000007 110.124 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -46.38 83.53 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.559 -0.746 . . . . 75.200000000000003 110.569 173.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 6' ' ' ALA . 51.5 tp -65.89 -48.14 72.49 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 111.997 0.369 . . . . 71.439999999999998 111.997 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 79.9 p -64.6 -34.62 78.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.715 0.293 . . . . 72.209999999999994 111.267 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 74.6 m -61.64 -47.75 83.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.522 -0.308 . . . . 74.140000000000001 110.748 173.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.7 mt -56.39 -50.96 70.07 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.122 0.415 . . . . 74.319999999999993 112.122 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 61.9 mtm -61.87 -35.34 78.04 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.82 0.343 . . . . 74.120000000000005 111.184 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -65.65 -39.73 91.72 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.837 0.351 . . . . 75.400000000000006 110.335 175.415 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 61' ' ' THR . 56.8 mtpt -57.79 -51.23 70.45 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.235 0.541 . . . . 71.439999999999998 111.255 175.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.724 HD13 HD12 ' A' ' 10' ' ' ILE . 38.0 mt -66.72 -30.18 70.35 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.825 -0.625 . . . . 74.209999999999994 112.105 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.486 ' HA ' HG23 ' A' ' 75' ' ' VAL . 42.7 ttm180 -71.09 -8.41 53.24 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.096 0.406 . . . . 74.310000000000002 112.096 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 26.4 mmtp -88.89 9.47 24.73 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 122.02 -0.425 . . . . 74.099999999999994 112.032 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.66 112.28 26.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 121.164 0.507 . . . . 74.150000000000006 110.876 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -22.74 11.8 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.689 0.996 . . . . 74.150000000000006 113.689 -178.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.591 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -77.28 -14.83 82.14 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.639 -0.791 . . . . 74.349999999999994 113.551 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 51.9 t -103.39 143.63 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 122.437 -0.449 . . . . 64.099999999999994 111.364 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.75 -15.2 8.93 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.346 0.499 . . . . 75.299999999999997 112.346 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.612 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -133.0 123.92 26.76 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.07 0.462 . . . . 72.239999999999995 111.256 175.271 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.486 HG23 ' HA ' ' A' ' 67' ' ' ARG . 41.7 t -133.3 103.13 5.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 109.305 -0.628 . . . . 72.010000000000005 109.305 171.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -125.76 162.78 24.3 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.119 -0.492 . . . . 73.030000000000001 111.768 -169.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -87.19 139.74 30.26 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.212 0.529 . . . . 73.420000000000002 111.35 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' A' ' 9' ' ' ARG . 95.8 mt -87.05 91.02 8.56 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.218 0.532 . . . . 75.150000000000006 110.171 174.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.9 m -63.32 -41.39 98.9 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.818 -0.628 . . . . 65.430000000000007 112.316 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -105.38 103.11 12.58 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.936 0.398 . . . . 75.049999999999997 110.999 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.2 mt -80.47 141.93 34.74 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.388 0.613 . . . . 75.25 112.143 -177.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -85.24 8.9 16.76 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.723 -0.671 . . . . 74.439999999999998 111.301 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -81.35 106.23 13.16 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.08 0.467 . . . . 74.230000000000004 111.893 -172.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -148.98 140.34 23.25 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.052 -0.522 . . . . 71.25 110.972 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -75.68 162.53 28.15 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 122.136 -0.353 . . . . 75.120000000000005 110.668 176.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.497 ' CG ' ' H ' ' A' ' 87' ' ' HIS . 7.1 t-80 -96.31 -155.53 0.48 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 109.919 -0.4 . . . . 74.430000000000007 109.919 176.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.497 ' H ' ' CG ' ' A' ' 86' ' ' HIS . 5.0 t60 -47.4 -30.25 3.17 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.307 0.484 . . . . 74.230000000000004 112.307 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 18.2 p80 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.409 -0.805 . . . . 74.329999999999998 111.039 170.646 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.893 0.378 . . . . 75.519999999999996 111.099 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t -109.48 29.83 7.2 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.761 0.791 . . . . 74.140000000000001 109.566 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -156.93 176.35 12.87 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.029 -0.987 . . . . 72.349999999999994 111.216 -168.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -162.05 157.28 23.25 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.137 0.494 . . . . 72.329999999999998 111.358 170.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -81.08 104.12 11.35 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.995 -0.548 . . . . 72.299999999999997 110.522 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.481 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -95.48 130.24 42.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.101 -0.5 . . . . 64.450000000000003 112.054 -175.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.11 134.68 11.93 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-N 116.144 -0.48 . . . . 63.049999999999997 113.098 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.14 150.8 28.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 122.671 0.388 . . . . 74.019999999999996 110.664 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.473 ' HB2' HD22 ' B' ' 78' ' ' LEU . 74.6 ttt180 -123.9 127.12 47.53 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.941 -0.474 . . . . 71.239999999999995 111.065 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.406 HD11 HD12 ' B' ' 26' ' ' ILE . 34.5 mt -113.46 117.92 56.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.1 -0.5 . . . . 73.420000000000002 111.342 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.595 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 62.3 t -122.48 118.37 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.531 0.681 . . . . 72.409999999999997 110.916 174.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.416 ' HA3' ' HA ' ' B' ' 72' ' ' VAL . . . -142.86 166.83 26.49 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.52 -0.763 . . . . 62.140000000000001 112.25 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.93 122.81 18.2 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.411 0.624 . . . . 75.329999999999998 111.338 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -67.29 103.89 1.36 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.037 -0.529 . . . . 55.219999999999999 111.441 -177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.515 ' HE2' ' HA ' ' B' ' 15' ' ' LYS . 7.9 mmpt? -103.42 -177.86 3.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.681 0.753 . . . . 75.120000000000005 112.145 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -43.49 -43.31 5.33 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.569 -1.196 . . . . 70.140000000000001 113.071 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.43 11.06 2.47 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.634 -0.793 . . . . 72.510000000000005 114.386 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.522 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 29.7 mmm -57.81 -49.65 75.93 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.584 0.587 . . . . 74.239999999999995 112.584 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.7 p -55.74 -36.44 67.27 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.91 0.386 . . . . 73.5 111.757 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.528 ' HA ' HD13 ' A' ' 33' ' ' ILE . 45.4 t-20 -76.43 -48.63 19.04 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.085 0.469 . . . . 75.540000000000006 110.873 -178.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.522 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -65.23 -35.91 82.51 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.311 -0.404 . . . . 73.540000000000006 111.492 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.48 HG13 ' CZ ' ' B' ' 45' ' ' PHE . 10.5 mm -64.01 -53.16 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.054 0.39 . . . . 71.310000000000002 112.054 -178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 14.1 m -67.37 -27.14 66.86 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.255 0.55 . . . . 73.329999999999998 109.988 177.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.76 -51.72 57.31 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 115.877 -0.601 . . . . 62.420000000000002 112.049 169.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.474 HG21 ' O ' ' B' ' 21' ' ' GLN . 90.1 t -56.31 -37.43 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.242 0.544 . . . . 72.519999999999996 110.952 175.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.406 HD12 HD11 ' B' ' 10' ' ' ILE . 72.8 mt -61.0 -43.3 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 116.004 -0.544 . . . . 73.25 111.474 175.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.8 p -69.83 -26.36 64.2 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.012 0.434 . . . . 74.430000000000007 110.647 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' B' ' 25' ' ' VAL . 56.1 mtpt -69.7 -6.92 34.93 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.26 -0.427 . . . . 74.329999999999998 111.834 176.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -66.94 174.35 3.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.792 0.806 . . . . 73.420000000000002 112.278 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.73 15.42 29.38 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.307 -0.86 . . . . 54.130000000000003 111.462 -176.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 t -128.86 165.81 20.3 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 120.992 0.425 . . . . 64.209999999999994 111.98 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . 0.417 ' O ' HG23 ' B' ' 51' ' ' ILE . 27.3 t-20 -91.29 129.29 37.3 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.151 0.5 . . . . 61.43 112.047 -177.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.463 ' HA ' HG23 ' B' ' 51' ' ' ILE . 61.5 mt -76.26 101.07 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.145 -0.48 . . . . 75.030000000000001 111.328 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -74.22 -33.65 63.44 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.225 0.536 . . . . 74.340000000000003 110.55 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 18.6 m -157.47 149.85 22.77 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.7 -0.682 . . . . 72.140000000000001 110.606 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.525 HG22 ' HB3' ' A' ' 38' ' ' LEU . 18.0 tt -159.81 135.02 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 120.968 0.413 . . . . 70.040000000000006 111.405 173.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.557 HG13 HG22 ' A' ' 37' ' ' VAL . 59.3 t -134.91 105.19 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-O 120.767 0.317 . . . . 73.120000000000005 111.555 -178.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 35' ' ' THR . 9.2 tt -108.86 128.5 54.96 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.396 -0.19 . . . . 73.409999999999997 110.734 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -135.87 123.86 22.82 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.082 0.467 . . . . 73.299999999999997 111.062 170.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.531 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -96.24 119.27 34.43 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.07 0.462 . . . . 74.140000000000001 110.737 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.79 145.23 29.85 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.097 -0.501 . . . . 75.109999999999999 111.001 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 t70 63.56 19.14 11.55 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 112.673 0.62 . . . . 73.019999999999996 112.673 175.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.62 1.97 63.56 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 121.05 -0.595 . . . . 72.409999999999997 113.258 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -127.81 169.87 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.715 -0.476 . . . . 73.230000000000004 109.715 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.531 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 34.8 p90 -133.84 148.48 51.3 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.954 -0.466 . . . . 74.450000000000003 110.898 172.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.8 t -126.17 112.05 15.34 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.944 0.402 . . . . 73.5 110.82 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 51.9 t -108.1 112.43 24.96 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.301 -0.409 . . . . 75.019999999999996 111.418 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 3.3 m-20 -93.63 110.74 22.33 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.389 -0.369 . . . . 75.310000000000002 110.951 177.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 53.9 tp -98.58 137.4 37.29 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.954 0.407 . . . . 75.400000000000006 111.848 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.535 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 72.4 mmm -127.66 109.97 12.2 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.969 0.414 . . . . 71.209999999999994 111.253 176.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.463 HG23 ' HA ' ' B' ' 33' ' ' ILE . 2.7 pp -138.53 166.53 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 116.304 -0.407 . . . . 75.430000000000007 111.408 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -97.15 137.48 36.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.971 0.415 . . . . 74.430000000000007 111.828 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.8 m -128.66 153.97 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 116.169 -0.469 . . . . 71.200000000000003 111.025 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -88.29 -19.87 26.18 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.333 0.494 . . . . 73.209999999999994 112.333 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -156.25 172.23 18.84 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 120.991 0.424 . . . . 74.420000000000002 111.835 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 74.3 p -68.86 -34.48 75.53 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.723 0.638 . . . . 70.340000000000003 112.723 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.33 -36.8 85.13 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.442 0.639 . . . . 74.530000000000001 109.973 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -57.44 -42.94 83.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.229 -0.896 . . . . 75.420000000000002 110.722 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' B' ' 6' ' ' ALA . 29.0 tp -67.04 -47.55 71.05 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.92 -0.582 . . . . 74.209999999999994 111.503 177.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 64.6 p -65.78 -28.25 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.927 0.343 . . . . 75.340000000000003 111.927 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 98.2 m -66.31 -40.83 90.23 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.885 0.374 . . . . 71.5 111.094 177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.92 -35.05 74.07 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.379 -0.373 . . . . 64.420000000000002 111.185 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.436 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 59.0 mtt -58.69 -51.61 69.23 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.28 -0.418 . . . . 74.299999999999997 110.812 176.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.01 -44.09 82.45 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.167 -0.47 . . . . 72.329999999999998 111.192 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -56.91 -42.35 79.78 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.227 -0.442 . . . . 71.010000000000005 111.666 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 60.2 mt -72.7 -38.0 67.67 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.143 0.497 . . . . 73.549999999999997 111.562 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.8 mtt180 -65.66 -6.72 12.18 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.422 0.527 . . . . 73.340000000000003 112.422 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -71.01 -20.3 62.42 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.118 -0.364 . . . . 75.239999999999995 111.307 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -84.43 108.12 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.57 0.7 . . . . 71.319999999999993 110.916 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -47.12 -30.61 2.9 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.816 -1.084 . . . . 72.310000000000002 112.81 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.48 -27.47 72.57 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 121.23 -0.509 . . . . 75.349999999999994 113.887 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . 0.416 ' HA ' ' HA3' ' B' ' 12' ' ' GLY . 57.2 t -88.96 143.45 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 122.328 -0.513 . . . . 74.099999999999994 111.24 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.57 -19.2 6.41 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.566 0.58 . . . . 73.340000000000003 112.566 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.595 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.7 p -127.23 120.34 28.48 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.073 0.463 . . . . 74.310000000000002 112.001 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.404 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 40.6 t -128.59 103.34 9.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.06 -0.719 . . . . 74.319999999999993 109.06 169.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -123.67 162.55 22.85 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.38 0.61 . . . . 75.150000000000006 112.64 -168.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.471 ' HG3' HD22 ' B' ' 59' ' ' LEU . 9.7 ttm180 -92.01 123.4 35.34 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.812 -0.631 . . . . 75.319999999999993 110.968 176.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.473 HD22 ' HB2' ' B' ' 9' ' ' ARG . 95.8 mt -69.61 -53.98 16.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.657 0.265 . . . . 70.230000000000004 111.18 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 38.9 t 66.56 -66.41 0.18 Allowed 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.669 0.618 . . . . 70.310000000000002 112.669 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.95 112.02 7.7 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.874 0.368 . . . . 75.109999999999999 110.609 177.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.8 mt -117.72 158.55 24.52 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.451 0.643 . . . . 75.230000000000004 111.619 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -90.9 -16.13 28.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.413 -0.812 . . . . 73.030000000000001 111.278 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -51.31 -65.39 0.56 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.829 -0.623 . . . . 74.209999999999994 112.099 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -138.55 100.88 4.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.028 0.442 . . . . 65.239999999999995 110.733 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -91.25 39.14 0.99 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.594 0.711 . . . . 72.299999999999997 110.223 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.411 ' HE1' ' HB2' ' B' ' 88' ' ' HIS . 32.0 t-80 -110.97 139.96 45.88 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.726 -0.67 . . . . 75.409999999999997 111.991 -173.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -134.8 127.85 31.64 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.177 -0.465 . . . . 74.140000000000001 110.698 174.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . 0.411 ' HB2' ' HE1' ' B' ' 86' ' ' HIS . 59.9 t-80 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.893 -0.575 . . . . 70.040000000000006 111.502 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 120.561 0.22 . . . . 62.25 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.1 m -125.95 120.25 29.88 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 122.279 -0.263 . . . . 73.239999999999995 110.374 173.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -64.98 142.58 58.39 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.068 0.461 . . . . 73.409999999999997 111.563 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -133.08 155.64 48.87 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.976 0.417 . . . . 73.409999999999997 110.655 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.0 tp -81.41 102.93 10.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.345 0.593 . . . . 74.209999999999994 110.81 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.441 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -93.89 145.53 24.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.718 -0.674 . . . . 70.219999999999999 111.997 -176.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -117.79 144.23 18.11 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.118 -0.563 . . . . 64.420000000000002 113.541 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.1 mt -130.99 130.7 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.631 0.373 . . . . 75.030000000000001 110.856 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -105.3 124.64 49.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.822 0.344 . . . . 72.219999999999999 111.339 177.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.711 HD13 HD11 ' A' ' 66' ' ' LEU . 47.9 mt -117.68 117.6 55.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.179 -0.464 . . . . 75.040000000000006 110.966 178.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.624 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 66.3 t -118.46 118.49 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 121.651 0.739 . . . . 74.099999999999994 111.381 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.92 170.87 25.1 Favored Glycine 0 CA--C 1.522 0.511 0 CA-C-N 115.339 -0.846 . . . . 71.109999999999999 111.904 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.97 142.69 49.4 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.22 0.533 . . . . 72.010000000000005 112.393 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.29 83.78 0.77 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.137 0.494 . . . . 64.129999999999995 111.366 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HB2' ' CG ' ' A' ' 18' ' ' MET . 34.6 mttp -101.36 154.82 18.46 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.319 0.581 . . . . 64.120000000000005 112.474 170.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -41.84 -39.03 1.66 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.326 1.232 . . . . 70.349999999999994 114.326 -176.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.46 2.08 15.97 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 120.789 -0.72 . . . . 64.439999999999998 113.932 -176.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.516 ' SD ' ' HA3' ' A' ' 71' ' ' GLY . 37.2 mmm -69.24 -51.47 37.3 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.803 0.668 . . . . 74.120000000000005 112.803 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.7 p -62.54 -31.66 72.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.955 0.407 . . . . 72.329999999999998 111.598 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -76.14 -48.07 21.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 75.450000000000003 110.87 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.511 ' O ' HG22 ' A' ' 25' ' ' VAL . 8.9 pt20 -63.78 -38.3 90.59 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.493 -0.321 . . . . 75.129999999999995 111.53 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 22' ' ' ILE . 11.2 mm -59.0 -53.96 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.854 0.359 . . . . 75.209999999999994 111.938 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -72.43 -27.18 62.17 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.307 0.575 . . . . 74.549999999999997 110.453 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.509 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.9 -46.55 93.92 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 121.194 -0.527 . . . . 73.450000000000003 112.151 172.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.514 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 84.4 t -62.71 -41.29 91.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.907 0.384 . . . . 75.310000000000002 110.776 175.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.41 HG22 HD12 ' A' ' 49' ' ' LEU . 72.6 mt -55.71 -44.88 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 116.165 -0.471 . . . . 71.040000000000006 111.76 175.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.5 p -65.92 -21.28 66.43 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.156 -0.34 . . . . 75.150000000000006 111.344 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.514 ' HE2' ' HA ' ' A' ' 25' ' ' VAL . 53.5 mtmt -81.32 4.22 21.39 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.199 0.444 . . . . 74.510000000000005 112.199 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -79.49 167.84 20.24 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.626 0.726 . . . . 64.510000000000005 111.98 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -84.43 -21.45 30.73 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.531 -0.759 . . . . 74.239999999999995 111.795 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.2 t -87.35 158.13 19.1 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.18 0.514 . . . . 73.230000000000004 112.238 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -87.23 125.9 34.48 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.299 -0.41 . . . . 74.239999999999995 111.591 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' B' ' 20' ' ' ASN . 69.4 mt -69.39 104.04 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 116.385 -0.37 . . . . 73.349999999999994 110.971 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -83.99 -33.18 24.62 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.146 0.498 . . . . 75.239999999999995 110.647 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.545 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 61.4 m -155.1 132.3 10.99 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.996 -0.547 . . . . 74.030000000000001 110.908 175.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.637 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.6 tp -135.74 128.15 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.072 0.463 . . . . 74.230000000000004 110.373 174.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 62.8 t -126.16 142.56 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.535 -0.302 . . . . 75.120000000000005 110.533 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.615 ' HB3' HG23 ' B' ' 36' ' ' ILE . 9.2 tt -145.56 136.65 24.74 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.936 -0.394 . . . . 74.219999999999999 109.936 175.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 45' ' ' PHE . 8.7 p30 -151.02 128.77 11.58 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.777 0.323 . . . . 71.310000000000002 110.858 173.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -102.6 106.14 16.77 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.12 0.486 . . . . 64.450000000000003 111.484 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.596 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -121.92 145.37 48.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.218 -0.446 . . . . 75.239999999999995 110.703 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 63.05 7.78 2.9 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.545 0.572 . . . . 64.519999999999996 112.545 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.34 -1.14 46.65 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 121.315 -0.469 . . . . 61.439999999999998 113.329 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.0 mt -126.11 150.47 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 122.61 -0.347 . . . . 75.329999999999998 110.783 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.547 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 37.5 p90 -116.42 146.8 42.24 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.199 0.523 . . . . 64.239999999999995 111.792 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -121.58 106.76 11.66 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.951 -0.568 . . . . 73.140000000000001 110.938 174.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.637 ' SG ' HD11 ' A' ' 36' ' ' ILE . 49.7 t -95.07 123.03 38.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.294 -0.412 . . . . 75.329999999999998 111.568 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -103.73 108.65 20.03 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.226 -0.443 . . . . 73.230000000000004 110.53 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 40.8 tp -98.08 131.33 44.57 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.838 0.351 . . . . 75.549999999999997 111.863 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.545 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 63.8 mmm -127.89 112.5 14.78 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.395 -0.366 . . . . 75.030000000000001 111.318 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.415 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.6 pp -143.11 162.12 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 116.303 -0.408 . . . . 74.439999999999998 111.719 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -92.08 137.83 32.04 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.86 0.362 . . . . 75.430000000000007 111.968 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 m -132.55 152.04 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 116.158 -0.474 . . . . 74.409999999999997 110.812 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' HD3' ' H ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.5 -17.73 35.57 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.22 0.452 . . . . 73.510000000000005 112.22 179.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -154.25 167.82 28.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.778 0.323 . . . . 73.209999999999994 111.27 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -73.72 -31.33 63.32 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.841 0.682 . . . . 74.430000000000007 112.841 -175.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.21 -33.86 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.494 0.664 . . . . 75.420000000000002 110.625 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -57.16 -36.58 70.92 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.467 -0.788 . . . . 72.540000000000006 110.837 173.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.462 ' HG ' ' HE2' ' A' ' 63' ' ' MET . 61.3 tp -71.64 -47.68 52.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.998 -0.546 . . . . 74.040000000000006 111.684 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.4 p -62.92 -30.1 71.29 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.889 0.376 . . . . 65.430000000000007 111.73 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 100.0 m -61.62 -41.71 97.86 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.035 0.445 . . . . 74.230000000000004 111.462 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.38 -39.85 94.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.952 0.406 . . . . 72.349999999999994 111.577 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.499 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 58.2 mtt -52.18 -49.75 63.23 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.147 -0.479 . . . . 75.099999999999994 111.454 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.75 -42.47 93.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.254 -0.43 . . . . 64.340000000000003 110.818 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -58.55 -35.65 72.67 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.043 0.449 . . . . 74.439999999999998 111.446 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.711 HD11 HD13 ' A' ' 10' ' ' ILE . 64.1 mt -79.92 -26.7 40.04 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.972 -0.558 . . . . 72.019999999999996 111.778 179.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 63' ' ' MET . 1.0 OUTLIER -72.61 -7.4 50.05 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.207 0.447 . . . . 74.430000000000007 112.207 179.003 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -72.53 -6.98 47.66 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 111.793 0.294 . . . . 75.120000000000005 111.793 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.8 t -89.7 117.48 33.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-O 121.104 0.478 . . . . 70.209999999999994 111.519 -178.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -54.72 -33.73 61.48 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.057 0.762 . . . . 72.530000000000001 113.057 -177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.516 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -76.66 -12.71 84.21 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 121.092 -0.575 . . . . 51.130000000000003 114.292 -175.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.44 HG23 ' HE2' ' A' ' 18' ' ' MET . 50.4 t -91.46 149.0 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 117.551 0.675 . . . . 72.430000000000007 111.748 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.38 -14.06 4.29 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.371 0.508 . . . . 70.450000000000003 112.371 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.624 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.1 p -131.98 125.2 30.99 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.01 0.433 . . . . 62.43 111.531 175.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.2 t -139.62 105.14 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 109.658 -0.497 . . . . 72.5 109.658 173.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -141.42 178.1 7.66 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.136 0.421 . . . . 74.510000000000005 112.136 -174.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -90.31 152.77 20.88 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.741 0.645 . . . . 75.510000000000005 112.741 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.7 mt -109.54 105.17 14.38 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.489 -0.778 . . . . 75.519999999999996 110.45 172.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.8 t -92.82 -20.58 20.57 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.758 0.314 . . . . 74.099999999999994 111.784 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -98.96 98.95 9.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.301 0.572 . . . . 73.310000000000002 111.187 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.5 mt -104.32 155.16 19.0 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.8 0.667 . . . . 74.400000000000006 112.8 -174.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -114.31 43.28 1.91 Allowed 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.562 -0.745 . . . . 63.399999999999999 110.865 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.443 ' CE1' ' HG3' ' A' ' 50' ' ' MET . 27.3 m-70 -111.08 -28.16 8.43 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.434 0.901 . . . . 75.049999999999997 113.434 -172.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 86' ' ' HIS . 98.5 m-70 -65.52 -49.0 70.57 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.534 0.568 . . . . 74.420000000000002 112.534 -174.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 48.38 -71.12 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 113.765 1.024 . . . . 73.230000000000004 113.765 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 84' ' ' HIS . 48.7 t-80 -79.36 94.18 5.47 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.598 -0.689 . . . . 75.299999999999997 111.463 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 -104.65 -16.81 14.88 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.162 -0.472 . . . . 72.439999999999998 110.764 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.741 -0.647 . . . . 74.299999999999997 110.915 176.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 120.505 0.193 . . . . 71.120000000000005 111.169 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.7 t -67.86 -13.01 61.8 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.132 0.491 . . . . 74.099999999999994 110.903 172.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.85 144.71 54.47 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.625 -0.716 . . . . 64.319999999999993 110.716 174.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -137.62 158.82 43.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.246 0.546 . . . . 74.109999999999999 111.562 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.491 ' O ' HD11 ' B' ' 81' ' ' LEU . 56.4 tp -78.66 104.79 9.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 74.310000000000002 110.528 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.459 ' HB3' HD13 ' B' ' 59' ' ' LEU . . . -93.52 127.61 39.26 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.893 0.378 . . . . 74.209999999999994 111.524 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.0 147.78 17.48 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.326 -0.464 . . . . 74.25 112.591 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.469 HD13 HD21 ' B' ' 49' ' ' LEU . 58.1 mt -133.49 126.72 52.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 117.227 0.514 . . . . 72.209999999999994 111.535 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.493 ' HB2' HD23 ' B' ' 78' ' ' LEU . 11.4 tpp85 -97.18 118.79 34.4 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.843 0.354 . . . . 72.0 111.182 175.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.559 HD12 HD13 ' B' ' 66' ' ' LEU . 41.9 mt -117.28 118.08 57.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 116.506 -0.315 . . . . 75.310000000000002 111.23 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.594 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 54.8 t -122.23 122.55 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.535 0.683 . . . . 74.420000000000002 111.575 175.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.09 171.12 31.44 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.66 -0.7 . . . . 73.109999999999999 112.951 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.1 135.89 47.92 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-O 120.945 0.402 . . . . 73.409999999999997 111.95 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.95 47.79 0.67 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.079 0.77 . . . . 73.299999999999997 113.079 -171.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -80.8 170.09 16.74 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 114.86 1.43 . . . . 74.319999999999993 114.86 -171.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -63.68 73.98 0.03 OUTLIER 'General case' 0 C--O 1.235 0.325 0 CA-C-N 113.609 -1.632 . . . . 75.319999999999993 112.468 -169.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.36 -14.91 5.58 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.27 -0.877 . . . . 72.310000000000002 112.856 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.526 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 33.0 mmm -62.39 -52.41 63.71 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.375 0.509 . . . . 74.510000000000005 112.375 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 60.3 p -60.48 -31.05 70.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.038 0.446 . . . . 71.510000000000005 111.632 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.424 ' HA ' HD11 ' A' ' 33' ' ' ILE . 15.0 m120 -75.13 -43.62 51.6 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.235 -0.439 . . . . 75.209999999999994 111.114 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.472 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -73.66 -34.75 65.08 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.154 -0.475 . . . . 75.420000000000002 111.86 -176.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.441 ' O ' HG13 ' B' ' 26' ' ' ILE . 12.6 mm -61.71 -54.32 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.206 0.447 . . . . 75.129999999999995 112.206 -176.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -74.12 -27.02 60.67 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.207 0.527 . . . . 64.109999999999999 110.254 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.43 -49.66 76.1 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.974 -0.557 . . . . 75.329999999999998 112.541 173.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.4 HG22 ' O ' ' B' ' 21' ' ' GLN . 86.4 t -63.52 -38.49 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 O-C-N 122.328 -0.513 . . . . 75.450000000000003 111.231 177.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.444 HG21 HD13 ' B' ' 49' ' ' LEU . 74.4 mt -56.86 -43.84 80.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 112.017 0.377 . . . . 74.239999999999995 112.017 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 83.4 p -62.74 -22.0 66.23 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.889 0.376 . . . . 65.340000000000003 111.578 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 57.4 mttm -81.09 -0.1 38.44 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 111.999 0.37 . . . . 74.129999999999995 111.999 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -73.62 164.4 26.71 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.481 0.658 . . . . 73.329999999999998 112.349 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.13 -31.2 68.62 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.424 -0.807 . . . . 71.230000000000004 111.165 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.0 t -88.28 168.07 13.02 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.335 -0.848 . . . . 73.019999999999996 112.322 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -102.91 128.27 49.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.175 -0.466 . . . . 72.030000000000001 111.743 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.4 ' HA ' HG23 ' B' ' 51' ' ' ILE . 62.0 mt -70.55 104.35 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.151 -0.477 . . . . 75.329999999999998 111.499 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 32.5 mmm-85 -82.7 -30.84 28.9 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.27 0.557 . . . . 63.229999999999997 110.459 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 77.8 m -155.03 147.01 23.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.914 -0.585 . . . . 75.400000000000006 110.597 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' A' ' 38' ' ' LEU . 18.8 tt -160.26 139.53 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 120.954 0.407 . . . . 73.140000000000001 111.314 174.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 95.8 t -137.08 105.28 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 116.533 -0.303 . . . . 75.230000000000004 111.34 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.615 ' HB3' HG21 ' A' ' 36' ' ' ILE . 8.8 tt -108.87 113.91 27.23 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.825 -0.435 . . . . 74.150000000000006 109.825 173.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -132.35 127.78 36.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.021 0.438 . . . . 74.319999999999993 111.251 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -94.91 108.07 20.11 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.173 0.511 . . . . 64.340000000000003 112.079 -178.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.641 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.1 OUTLIER -114.06 137.92 51.08 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.074 -0.512 . . . . 74.439999999999998 110.65 177.213 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 60.15 16.74 6.27 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.22 0.452 . . . . 65.129999999999995 112.22 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.74 11.19 64.12 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.576 -0.345 . . . . 73.340000000000003 113.478 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mt -129.46 142.18 44.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 122.331 -0.511 . . . . 74.5 110.193 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.546 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 38.4 p90 -108.16 143.28 37.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.924 0.392 . . . . 74.219999999999999 111.297 -177.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -119.05 99.26 6.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.333 0.587 . . . . 74.409999999999997 110.873 175.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 53.7 t -94.06 107.66 19.56 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.951 -0.568 . . . . 73.129999999999995 111.996 -178.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 97.4 m-20 -90.04 112.5 23.96 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.691 -0.231 . . . . 75.25 110.79 174.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.469 HD21 HD13 ' B' ' 8' ' ' ILE . 51.7 tp -98.5 132.08 44.22 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.693 0.282 . . . . 74.209999999999994 111.31 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.513 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.3 mmm -124.34 109.72 13.69 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.007 0.432 . . . . 72.450000000000003 111.312 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.4 HG23 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -141.78 161.01 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 116.101 -0.5 . . . . 73.409999999999997 111.792 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -93.81 137.89 32.56 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.242 0.544 . . . . 65.510000000000005 112.285 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.2 m -132.61 154.51 40.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.138 -0.483 . . . . 73.329999999999998 111.13 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.548 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 17.2 tppt? -75.36 -45.87 36.65 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.384 -0.371 . . . . 72.230000000000004 111.249 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.548 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 33.7 m-80 -134.76 165.2 25.83 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.011 0.434 . . . . 74.219999999999999 111.548 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 78.2 p -68.25 -26.45 65.68 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.329 -0.396 . . . . 72.030000000000001 111.803 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.04 -38.77 92.29 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.795 0.807 . . . . 72.219999999999999 110.422 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -59.52 -38.85 82.05 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.302 -0.863 . . . . 74.349999999999994 110.527 172.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.459 HD13 ' HB3' ' B' ' 6' ' ' ALA . 39.2 tp -67.86 -45.66 73.95 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.923 -0.581 . . . . 71.5 111.569 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 72.3 p -62.35 -37.04 84.13 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.881 0.372 . . . . 74.439999999999998 111.237 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.445 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 67.0 m -57.86 -41.88 83.35 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.314 -0.403 . . . . 72.340000000000003 111.188 175.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.0 mt -64.58 -42.38 95.67 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.702 -0.226 . . . . 74.230000000000004 111.527 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.574 ' HE2' ' HB3' ' B' ' 77' ' ' ARG . 47.6 mtt -52.66 -54.39 34.02 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.34 0.59 . . . . 73.510000000000005 110.308 175.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -53.74 -44.68 70.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.105 -0.952 . . . . 74.340000000000003 111.254 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' B' ' 61' ' ' THR . 49.4 mtpt -59.09 -40.17 84.45 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.146 0.498 . . . . 75.319999999999993 111.707 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.559 HD13 HD12 ' B' ' 10' ' ' ILE . 51.8 mt -76.14 -26.98 56.83 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.168 0.509 . . . . 74.230000000000004 111.583 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' B' ' 63' ' ' MET . 92.3 mtt180 -74.87 -7.55 53.81 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.319 0.489 . . . . 73.5 112.319 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -72.48 -15.56 61.8 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 122.202 -0.311 . . . . 73.310000000000002 111.533 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 51.3 t -84.16 123.83 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 121.048 0.452 . . . . 75.040000000000006 111.632 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -59.88 -36.32 76.68 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.929 -0.578 . . . . 65.329999999999998 112.537 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.526 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -70.24 -17.53 74.17 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 121.098 -0.573 . . . . 70.209999999999994 114.208 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . 0.448 HG22 ' HE1' ' B' ' 18' ' ' MET . 60.4 t -92.36 145.53 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 122.154 -0.615 . . . . 73.519999999999996 111.268 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.33 -8.99 5.24 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.406 0.521 . . . . 71.120000000000005 112.406 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.594 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.0 p -136.02 121.91 19.95 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.891 0.377 . . . . 75.439999999999998 111.497 174.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 49.2 t -139.64 103.81 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 110.096 -0.335 . . . . 75.409999999999997 110.096 173.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -136.85 164.83 27.38 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.574 -0.284 . . . . 74.219999999999999 110.354 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.574 ' HB3' ' HE2' ' B' ' 63' ' ' MET . 29.7 ptt180 -87.42 152.32 22.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.877 0.846 . . . . 74.5 111.476 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' B' ' 9' ' ' ARG . 96.0 mt -94.63 82.03 3.92 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.977 -1.01 . . . . 73.5 109.62 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 32.4 t -56.43 -44.48 80.45 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.211 -0.449 . . . . 75.209999999999994 111.81 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -97.88 106.43 18.73 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.256 0.551 . . . . 74.439999999999998 110.671 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.491 HD11 ' O ' ' B' ' 5' ' ' LEU . 28.0 mt -78.06 152.78 32.78 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.64 0.978 . . . . 74.400000000000006 113.64 -172.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -93.3 31.84 1.43 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 114.461 -1.245 . . . . 73.530000000000001 110.677 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -107.55 66.37 0.66 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.441 0.639 . . . . 73.439999999999998 111.476 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -150.24 48.11 0.9 Allowed 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.552 -0.749 . . . . 74.409999999999997 110.314 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -80.77 5.08 16.86 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 112.503 0.557 . . . . 73.140000000000001 112.503 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -105.77 108.69 20.34 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.017 0.437 . . . . 75.340000000000003 110.439 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -65.49 164.19 14.45 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.385 0.883 . . . . 72.549999999999997 113.385 -173.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 . . . . . 0 C--O 1.25 1.095 0 CA-C-N 115.213 -0.903 . . . . 73.510000000000005 111.084 173.876 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.415 ' SD ' ' HG2' ' A' ' 54' ' ' LYS . 25.2 mmt . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 120.807 0.337 . . . . 74.420000000000002 111.562 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.473 ' HB ' ' O ' ' A' ' 54' ' ' LYS . 8.8 m -93.89 33.65 1.3 Allowed 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.882 0.849 . . . . 73.239999999999995 109.135 171.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.463 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 8.5 p-10 -64.04 139.2 58.74 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.546 0.943 . . . . 75.030000000000001 113.546 -168.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -145.52 154.1 41.83 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.42 -0.809 . . . . 71.510000000000005 109.809 173.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 tp -78.72 103.35 8.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.215 0.531 . . . . 74.530000000000001 110.96 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.46 ' HB2' HD22 ' A' ' 59' ' ' LEU . . . -93.93 153.4 18.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.696 -0.684 . . . . 65.409999999999997 111.557 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.498 ' HA3' ' HB2' ' A' ' 78' ' ' LEU . . . -132.05 147.15 18.62 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.139 -0.553 . . . . 75.420000000000002 112.964 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.587 HD12 HD23 ' A' ' 49' ' ' LEU . 49.6 mt -127.54 136.83 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-O 120.876 0.369 . . . . 74.230000000000004 110.735 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.488 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 20.4 tpt180 -110.22 120.22 41.74 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.484 -0.325 . . . . 75.450000000000003 111.216 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.825 HD13 HD12 ' A' ' 66' ' ' LEU . 63.5 mt -123.15 131.44 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 111.83 0.307 . . . . 74.409999999999997 111.83 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.489 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 25.3 t -132.85 119.44 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.568 0.699 . . . . 74.109999999999999 110.72 169.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.91 161.54 26.31 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.512 -0.767 . . . . 61.43 112.428 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.77 128.87 37.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.288 0.566 . . . . 74.340000000000003 111.868 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.95 107.33 4.63 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.917 -0.583 . . . . 70.540000000000006 111.749 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -133.64 164.92 26.12 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.718 0.77 . . . . 74.019999999999996 112.828 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -43.46 -35.02 1.47 Allowed 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.152 -1.386 . . . . 74.230000000000004 114.332 -174.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.79 -5.5 13.78 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 120.654 -0.784 . . . . 74.450000000000003 114.049 -176.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.44 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 63.2 mmm -72.13 -52.29 17.38 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.99 0.737 . . . . 75.340000000000003 112.99 -174.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.1 p -60.92 -32.58 72.07 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.96 0.409 . . . . 72.140000000000001 111.535 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -75.79 -45.77 34.34 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.001 0.429 . . . . 70.200000000000003 111.013 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 25' ' ' VAL . 9.4 pt20 -70.33 -35.6 73.72 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.502 -0.317 . . . . 75.409999999999997 111.847 -176.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.575 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 12.7 mm -60.71 -54.59 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 112.394 0.516 . . . . 73.349999999999994 112.394 -177.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -74.1 -27.65 60.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.094 0.473 . . . . 63.030000000000001 110.521 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -61.0 -52.13 54.2 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 121.114 -0.565 . . . . 70.530000000000001 112.523 174.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 21' ' ' GLN . 97.6 t -58.73 -40.27 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-O 120.816 0.341 . . . . 74.349999999999994 111.54 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.423 HG23 HD13 ' A' ' 49' ' ' LEU . 70.9 mt -55.71 -42.83 71.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.14 0.495 . . . . 73.439999999999998 111.73 175.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 m -60.27 -22.04 62.64 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.15 -0.477 . . . . 71.25 111.727 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 43.3 mtpt -85.87 -4.93 59.29 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.064 -0.517 . . . . 75.219999999999999 112.371 -172.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -67.61 171.72 5.96 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.691 0.758 . . . . 72.109999999999999 112.603 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' OD1' ' NZ ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -75.77 -33.84 60.2 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.408 -0.815 . . . . 74.530000000000001 110.762 178.053 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -82.9 160.78 22.05 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.562 -0.745 . . . . 71.510000000000005 112.574 -174.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -95.25 130.22 42.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.889 -0.596 . . . . 74.230000000000004 111.273 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.499 ' HA ' HG22 ' A' ' 51' ' ' ILE . 61.3 mt -67.49 111.15 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.175 -0.466 . . . . 74.200000000000003 111.573 -177.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -84.14 -36.53 22.83 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.22 0.533 . . . . 74.150000000000006 110.505 178.251 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.498 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 87.9 m -158.88 132.44 7.42 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.807 -0.633 . . . . 65.099999999999994 110.56 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.586 HG22 ' HB3' ' B' ' 38' ' ' LEU . 10.5 tp -134.17 138.18 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.028 0.442 . . . . 71.329999999999998 110.823 177.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 64.7 t -135.67 136.19 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.33 -0.395 . . . . 74.230000000000004 110.667 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.636 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.0 tt -144.62 123.45 12.66 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.734 -0.469 . . . . 70.019999999999996 109.734 173.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -139.09 138.67 37.29 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.887 0.375 . . . . 62.530000000000001 111.47 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.495 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -103.34 121.64 43.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.383 0.611 . . . . 33.329999999999998 111.297 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -136.27 143.18 44.1 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.507 -0.769 . . . . 74.25 110.54 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 60.77 10.14 2.54 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.044 0.757 . . . . 70.219999999999999 113.044 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.31 -9.81 39.07 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 121.426 -0.416 . . . . 60.310000000000002 113.524 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.6 mt -119.26 159.88 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 122.634 -0.333 . . . . 73.430000000000007 110.157 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.575 ' CZ ' HG13 ' A' ' 22' ' ' ILE . 21.3 p90 -119.01 149.76 41.1 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.964 -0.46 . . . . 74.329999999999998 110.791 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -124.0 119.75 30.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.09 0.471 . . . . 70.450000000000003 111.1 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 42.4 t -111.3 129.15 56.08 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 112.062 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.428 ' O ' HD11 ' A' ' 36' ' ' ILE . 90.1 m-20 -108.67 114.83 28.96 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.373 -0.376 . . . . 74.019999999999996 110.524 175.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.587 HD23 HD12 ' A' ' 8' ' ' ILE . 38.6 tp -99.56 119.72 38.51 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.769 0.319 . . . . 63.409999999999997 111.858 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.498 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 68.1 mmm -115.78 111.99 21.33 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.896 0.379 . . . . 72.109999999999999 111.068 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.499 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -142.47 159.54 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.981 0.42 . . . . 71.430000000000007 111.827 -177.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -94.6 133.64 38.03 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.046 0.45 . . . . 73.409999999999997 111.916 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 3.1 m -133.13 154.15 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 116.45 -0.341 . . . . 74.409999999999997 110.558 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' O ' ' HB ' ' A' ' 2' ' ' THR . 0.0 OUTLIER -86.14 -33.68 20.79 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.893 0.377 . . . . 73.209999999999994 111.285 178.26 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -132.61 145.82 51.4 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.51 -0.313 . . . . 74.510000000000005 110.947 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.7 p -63.14 -25.95 68.59 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.904 0.383 . . . . 60.020000000000003 111.643 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.81 -36.45 81.16 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.727 0.775 . . . . 74.25 110.242 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' NZ ' ' OD1' ' A' ' 30' ' ' ASP . 48.5 tptt -62.22 -46.4 89.04 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.114 -0.948 . . . . 73.299999999999997 111.007 174.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.46 HD22 ' HB2' ' A' ' 6' ' ' ALA . 65.2 tp -62.87 -47.5 83.09 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.109 -0.496 . . . . 74.150000000000006 111.868 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.4 p -61.56 -30.17 70.49 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.761 0.315 . . . . 74.340000000000003 111.658 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.9 m -65.91 -43.87 86.88 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.314 -0.403 . . . . 71.439999999999998 111.63 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.79 -34.51 71.55 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.799 0.333 . . . . 65.129999999999995 111.481 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.454 ' CE ' ' HB2' ' A' ' 77' ' ' ARG . 62.2 mtt -54.93 -52.11 63.98 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.104 0.478 . . . . 74.150000000000006 110.997 175.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.46 -43.85 84.32 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.82 -0.627 . . . . 53.25 110.739 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -58.4 -47.22 84.6 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.109 -0.496 . . . . 74.349999999999994 111.899 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.825 HD12 HD13 ' A' ' 10' ' ' ILE . 81.4 mt -73.66 -26.54 60.8 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.178 0.513 . . . . 74.299999999999997 111.927 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -73.47 -8.38 55.65 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 116.379 -0.373 . . . . 74.530000000000001 111.925 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -79.09 -5.37 53.9 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 111.982 0.364 . . . . 74.230000000000004 111.982 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.511 HG11 HD12 ' A' ' 22' ' ' ILE . 89.1 t -76.4 134.7 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.693 0.759 . . . . 72.319999999999993 112.145 -175.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -49.11 -48.73 44.24 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.605 -1.18 . . . . 74.319999999999993 113.941 -176.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.89 4.61 63.27 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.775 -0.726 . . . . 42.350000000000001 114.794 -170.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.1 t -93.37 131.04 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-N 117.954 0.877 . . . . 62.32 111.562 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -120.81 -2.47 9.81 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.371 0.508 . . . . 75.200000000000003 112.371 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.489 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 29.9 p -138.83 122.12 17.05 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.746 0.308 . . . . 75.049999999999997 111.516 177.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.75 105.28 6.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 120.821 0.343 . . . . 74.409999999999997 110.355 174.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 9' ' ' ARG . 40.7 mt-10 -122.92 177.7 5.38 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.284 0.564 . . . . 73.409999999999997 112.203 -174.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.454 ' HB2' ' CE ' ' A' ' 63' ' ' MET . 10.5 ttp180 -104.21 127.66 51.86 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.772 -0.649 . . . . 72.400000000000006 111.144 172.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.498 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . 95.9 mt -76.12 91.0 3.1 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.042 0.449 . . . . 75.109999999999999 110.189 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.7 t -78.47 -52.63 8.25 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.145 0.498 . . . . 71.409999999999997 111.045 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -86.93 101.71 13.66 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.311 0.577 . . . . 75.400000000000006 110.996 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.5 mt -92.65 166.41 12.49 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.3 0.571 . . . . 71.439999999999998 112.279 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.59 18.84 17.29 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.865 -0.607 . . . . 72.310000000000002 111.538 174.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -80.33 76.29 7.13 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.063 0.459 . . . . 63.439999999999998 111.288 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -108.29 124.51 50.44 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.28 -0.418 . . . . 73.400000000000006 111.309 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -73.23 77.72 1.3 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.284 0.564 . . . . 65.310000000000002 110.544 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.465 ' O ' ' HB3' ' A' ' 87' ' ' HIS . 13.9 t-80 -75.86 143.33 41.84 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.419 -0.586 . . . . 72.349999999999994 109.419 177.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.465 ' HB3' ' O ' ' A' ' 86' ' ' HIS . 33.4 t-80 67.65 88.83 0.11 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.309 0.576 . . . . 72.409999999999997 110.312 -172.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 30.1 p80 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.756 -0.64 . . . . 75.519999999999996 111.96 -175.363 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 120.706 0.289 . . . . 74.439999999999998 111.56 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 35.8 m -84.67 130.72 34.67 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.261 0.467 . . . . 75.329999999999998 112.261 -176.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -130.96 154.54 48.03 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.069 -0.514 . . . . 70.010000000000005 109.846 171.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -132.06 157.15 44.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.246 0.546 . . . . 71.540000000000006 111.308 -176.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.7 tp -80.73 103.46 10.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.635 . . . . 73.450000000000003 110.838 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.69 140.53 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.716 -0.675 . . . . 74.450000000000003 111.703 -177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.56 146.37 18.72 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 121.205 -0.521 . . . . 72.349999999999994 112.951 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 20.9 mt -136.08 125.84 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 122.653 -0.322 . . . . 74.349999999999994 110.603 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.463 ' HB2' HD23 ' B' ' 78' ' ' LEU . 33.0 ttp-105 -103.56 123.01 46.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.935 0.398 . . . . 74.230000000000004 111.144 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.569 HD11 HD13 ' B' ' 66' ' ' LEU . 41.7 mt -108.86 116.92 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.065 -0.516 . . . . 70.109999999999999 110.698 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.595 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 76.0 t -114.63 114.62 47.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-O 121.408 0.623 . . . . 72.019999999999996 111.049 177.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.2 166.76 25.95 Favored Glycine 0 CA--C 1.523 0.583 0 CA-C-N 115.769 -0.65 . . . . 64.430000000000007 112.97 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.453 ' HG3' ' HD3' ' B' ' 15' ' ' LYS . 7.8 pt-20 -60.93 117.97 6.12 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 121.226 0.536 . . . . 74.310000000000002 112.226 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.56 101.8 0.37 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.16 -0.473 . . . . 71.239999999999995 111.126 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.453 ' HD3' ' HG3' ' B' ' 13' ' ' GLU . 49.2 mtpt -138.53 168.65 19.31 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.911 1.078 . . . . 72.519999999999996 113.911 -173.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -51.69 -31.01 24.22 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.068 -1.424 . . . . 71.140000000000001 114.24 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.26 -16.6 5.16 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.657 -0.782 . . . . 42.420000000000002 113.845 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.555 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 61.6 mmm -65.07 -51.8 59.36 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.377 0.88 . . . . 73.400000000000006 113.377 -173.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 64.3 p -60.55 -31.9 70.99 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.8 0.333 . . . . 75.540000000000006 111.595 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -76.51 -48.17 20.35 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.168 0.509 . . . . 71.450000000000003 111.127 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.508 ' O ' HG22 ' B' ' 25' ' ' VAL . 9.1 pt20 -66.33 -39.97 89.6 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.118 -0.492 . . . . 75.310000000000002 111.622 -176.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.422 HG13 ' HZ ' ' B' ' 45' ' ' PHE . 9.9 mm -60.19 -54.47 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 112.501 0.556 . . . . 74.450000000000003 112.501 -176.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 13.3 m -74.15 -26.95 60.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.171 0.51 . . . . 75.239999999999995 110.624 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.94 -43.59 97.96 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.991 -0.623 . . . . 62.049999999999997 112.202 171.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.567 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 77.2 t -60.91 -39.16 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 122.748 -0.266 . . . . 63.299999999999997 111.139 175.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.71 HD11 HD21 ' B' ' 49' ' ' LEU . 51.3 mm -52.36 -48.46 44.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-O 121.035 0.445 . . . . 75.329999999999998 111.792 176.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 60.7 p -62.87 -22.45 66.71 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.052 0.39 . . . . 75.140000000000001 112.052 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.567 ' HE3' ' HA ' ' B' ' 25' ' ' VAL . 10.0 mtmp? -78.7 -6.72 56.54 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.267 0.469 . . . . 72.430000000000007 112.267 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -67.63 162.48 23.48 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.741 0.782 . . . . 74.349999999999994 112.403 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -80.49 -21.89 41.51 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.325 -0.852 . . . . 55.420000000000002 111.671 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.4 t -86.24 155.99 20.47 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.162 0.506 . . . . 70.420000000000002 111.95 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -90.54 129.49 36.69 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.106 0.479 . . . . 75.349999999999994 111.619 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.423 ' HA ' HG21 ' B' ' 51' ' ' ILE . 65.5 mt -66.72 120.43 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 115.989 -0.55 . . . . 75.329999999999998 111.426 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -97.06 -39.02 9.53 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.315 0.579 . . . . 73.409999999999997 110.512 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 55.3 m -152.24 132.06 13.26 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.735 -0.666 . . . . 72.120000000000005 110.799 174.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.654 HD11 ' SG ' ' B' ' 47' ' ' CYS . 9.8 tp -133.81 132.92 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 120.859 0.361 . . . . 62.539999999999999 110.462 174.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 57.8 t -134.87 143.93 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.743 0.306 . . . . 72.510000000000005 110.656 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.586 ' HB3' HG22 ' A' ' 36' ' ' ILE . 7.9 tt -144.32 115.71 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.081 -0.387 . . . . 72.319999999999993 110.048 175.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -130.76 134.75 47.15 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.891 0.377 . . . . 74.150000000000006 110.959 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.536 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -99.78 112.6 24.84 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.425 0.631 . . . . 74.299999999999997 111.637 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -125.02 144.35 50.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.525 -0.762 . . . . 73.209999999999994 110.339 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 61.42 15.97 7.08 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.134 0.42 . . . . 72.200000000000003 112.134 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.95 5.92 67.64 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 121.407 -0.425 . . . . 63.219999999999999 113.23 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.8 mt -128.85 151.15 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 122.725 0.41 . . . . 70.0 110.227 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.536 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 37.4 p90 -113.15 143.62 44.05 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.857 -0.527 . . . . 74.239999999999995 111.539 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 1.8 t -118.28 106.3 12.64 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.01 -0.541 . . . . 72.439999999999998 111.197 176.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.654 ' SG ' HD11 ' B' ' 36' ' ' ILE . 42.2 t -91.33 114.27 26.75 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.105 -0.498 . . . . 71.329999999999998 111.076 177.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -100.8 109.92 21.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.697 0.399 . . . . 74.129999999999995 111.066 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.71 HD21 HD11 ' B' ' 26' ' ' ILE . 52.4 tp -98.41 130.87 45.04 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.957 0.408 . . . . 74.109999999999999 111.711 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.467 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.3 mmm -123.28 111.02 15.93 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.224 -0.443 . . . . 75.129999999999995 110.72 176.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.423 HG21 ' HA ' ' B' ' 33' ' ' ILE . 2.5 pp -143.24 162.1 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 116.337 -0.392 . . . . 75.129999999999995 111.677 -177.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -91.33 132.92 35.85 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.948 0.404 . . . . 74.150000000000006 111.661 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 19.9 m -122.04 144.22 32.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.144 -0.48 . . . . 73.219999999999999 111.023 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -79.35 -14.17 59.15 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.41 0.522 . . . . 74.340000000000003 112.41 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -163.77 172.1 14.6 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.823 0.344 . . . . 73.439999999999998 111.392 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -72.03 -33.85 68.34 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.86 0.689 . . . . 64.349999999999994 112.86 -176.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.54 -35.43 80.21 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.535 0.683 . . . . 71.310000000000002 110.298 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -57.8 -43.71 85.85 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.349 -0.842 . . . . 72.109999999999999 110.757 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 33.9 tp -63.5 -46.6 85.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.85 -0.613 . . . . 73.329999999999998 111.666 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 34.3 p -65.56 -29.95 70.63 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 111.99 0.367 . . . . 72.510000000000005 111.99 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 50.5 m -62.82 -41.22 99.22 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.808 0.337 . . . . 72.140000000000001 111.788 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.07 -35.21 76.36 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.774 0.287 . . . . 73.349999999999994 111.774 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.556 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 66.0 mtt -53.84 -53.93 45.61 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.477 -0.329 . . . . 74.25 110.986 177.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -52.98 -46.17 68.17 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.073 -0.512 . . . . 72.230000000000004 111.453 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -58.48 -35.34 72.05 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.831 -0.622 . . . . 74.140000000000001 111.168 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.569 HD13 HD11 ' B' ' 10' ' ' ILE . 70.1 mt -80.64 -29.1 36.76 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.067 0.46 . . . . 70.439999999999998 111.639 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' B' ' 63' ' ' MET . 47.3 mtp180 -73.47 -6.63 47.64 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.442 -0.344 . . . . 74.400000000000006 111.586 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.33 -15.07 62.83 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.972 0.36 . . . . 63.240000000000002 111.972 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.0 113.38 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 120.784 0.326 . . . . 73.349999999999994 111.501 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -57.96 -28.7 64.59 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.34 0.496 . . . . 64.140000000000001 112.34 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.555 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -64.48 -20.23 65.45 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 120.976 -0.63 . . . . 73.310000000000002 113.344 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.9 t -93.49 141.71 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 O-C-N 122.47 -0.429 . . . . 73.209999999999994 110.945 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.84 -23.71 6.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.469 -0.332 . . . . 75.299999999999997 111.836 176.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.595 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.0 OUTLIER -123.52 127.26 48.1 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.234 0.54 . . . . 73.230000000000004 111.578 176.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.454 HG22 ' HG2' ' B' ' 67' ' ' ARG . 51.9 t -132.69 104.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.164 -0.68 . . . . 72.400000000000006 109.164 171.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -128.77 154.54 46.28 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.141 0.496 . . . . 64.329999999999998 112.163 -170.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -83.99 133.5 34.68 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.092 -0.504 . . . . 73.409999999999997 112.137 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.463 HD23 ' HB2' ' B' ' 9' ' ' ARG . 87.5 mt -89.7 94.43 9.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.221 0.534 . . . . 74.329999999999998 110.004 170.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 60.1 p -79.4 -59.97 2.55 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.96 -0.564 . . . . 74.230000000000004 111.358 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -74.63 105.13 5.58 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.938 -0.574 . . . . 74.319999999999993 111.187 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.4 mt -106.85 159.72 16.04 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.101 0.477 . . . . 64.140000000000001 111.481 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -115.71 26.27 10.14 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.063 0.394 . . . . 75.140000000000001 112.063 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -79.11 37.18 0.31 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 120.915 0.388 . . . . 73.219999999999999 111.198 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -85.69 126.05 33.65 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.714 0.635 . . . . 75.439999999999998 112.714 -174.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -106.16 -5.0 19.65 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.034 0.445 . . . . 72.400000000000006 110.589 170.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -123.13 151.72 41.83 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.011 -0.54 . . . . 73.430000000000007 110.765 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -157.68 151.06 23.57 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.511 -0.313 . . . . 73.239999999999995 110.898 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 23.7 p80 . . . . . 0 C--O 1.254 1.291 0 CA-C-O 119.69 -0.195 . . . . 71.120000000000005 111.364 173.852 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.591 ' HE3' ' HD2' ' A' ' 54' ' ' LYS . 70.2 mtm . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 120.77 0.319 . . . . 74.409999999999997 110.991 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.3 m -95.83 126.42 41.07 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.182 0.438 . . . . 73.340000000000003 112.182 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 5.3 m-20 -88.9 150.84 22.67 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.185 -0.461 . . . . 72.450000000000003 111.428 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -129.06 154.1 46.99 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.815 -0.439 . . . . 71.019999999999996 109.815 172.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.4 tp -77.73 103.98 7.99 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.199 0.523 . . . . 72.540000000000006 111.299 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.433 ' HB2' HD12 ' A' ' 59' ' ' LEU . . . -97.86 134.45 40.99 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.016 -0.538 . . . . 73.439999999999998 111.671 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.83 141.35 15.88 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.046 -0.597 . . . . 72.549999999999997 113.387 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 40.6 mt -128.88 136.85 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 122.622 0.369 . . . . 74.340000000000003 110.367 177.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' NH2' HD22 ' A' ' 48' ' ' ASN . 18.5 ttm180 -118.15 125.0 49.36 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.1 0.476 . . . . 72.209999999999994 111.489 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.608 HD12 HD13 ' A' ' 66' ' ' LEU . 25.9 mt -112.87 116.83 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 115.668 -0.696 . . . . 75.239999999999995 110.674 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.556 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 95.2 t -115.79 113.59 43.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.547 0.689 . . . . 73.329999999999998 110.948 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.19 175.25 21.27 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.468 -0.787 . . . . 75.439999999999998 112.639 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.64 133.37 40.87 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.409 0.623 . . . . 73.230000000000004 112.124 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -70.92 86.45 0.71 Allowed 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.294 0.568 . . . . 75.200000000000003 111.953 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HB2' ' CG ' ' A' ' 18' ' ' MET . 43.0 mttp -102.09 158.54 16.09 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.508 0.67 . . . . 71.319999999999993 112.511 168.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -49.85 -31.32 11.67 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.657 -1.156 . . . . 73.430000000000007 113.599 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.67 0.2 17.94 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 120.601 -0.809 . . . . 72.209999999999994 114.399 -178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.433 ' CG ' ' HB2' ' A' ' 15' ' ' LYS . 53.5 mmm -74.29 -51.8 14.17 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 117.516 0.658 . . . . 75.519999999999996 112.53 -176.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -60.47 -31.26 70.28 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.266 0.555 . . . . 72.439999999999998 111.323 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.51 ' ND2' HG13 ' B' ' 33' ' ' ILE . 12.5 m120 -75.16 -48.3 24.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.652 -0.704 . . . . 74.340000000000003 110.948 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' HG21 ' A' ' 25' ' ' VAL . 2.1 pt20 -66.34 -37.42 85.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.174 -0.466 . . . . 71.450000000000003 111.474 -177.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 22' ' ' ILE . 12.1 mm -62.68 -54.89 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 112.234 0.457 . . . . 74.329999999999998 112.234 -177.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 m -72.97 -26.59 61.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.275 0.56 . . . . 75.150000000000006 110.193 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.527 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.03 -51.71 57.67 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 121.029 -0.605 . . . . 54.539999999999999 112.369 171.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 21' ' ' GLN . 87.4 t -59.66 -40.14 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-O 120.843 0.354 . . . . 74.329999999999998 111.174 175.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mt -54.0 -48.73 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 116.165 -0.471 . . . . 74.349999999999994 111.798 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.4 p -64.86 -22.02 66.91 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.607 0.241 . . . . 62.310000000000002 111.603 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 67.5 mttm -75.05 -5.59 44.89 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.16 0.43 . . . . 72.140000000000001 112.16 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -69.37 168.38 14.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.619 0.723 . . . . 73.25 112.338 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.34 -24.71 31.97 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.276 -0.875 . . . . 72.030000000000001 111.854 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 t -86.34 159.05 19.51 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.64 0.607 . . . . 73.129999999999995 112.64 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -91.06 124.2 35.11 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.924 -0.58 . . . . 63.520000000000003 111.804 -174.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.45 ' HA ' HG21 ' A' ' 51' ' ' ILE . 61.5 mt -76.43 110.67 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 116.455 -0.339 . . . . 73.230000000000004 111.747 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HA ' ' HD3' ' A' ' 34' ' ' ARG . 21.8 mmt85 -94.14 -20.51 19.82 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 122.063 -0.398 . . . . 75.129999999999995 111.711 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 6.8 m -158.43 142.85 15.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.353 -0.385 . . . . 74.329999999999998 110.725 174.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.627 HG21 ' HB3' ' B' ' 38' ' ' LEU . 0.0 OUTLIER -147.5 133.3 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.171 -0.307 . . . . 74.140000000000001 110.171 172.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.466 HG13 ' OD1' ' A' ' 39' ' ' ASN . 96.6 t -134.23 103.44 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-O 121.032 0.444 . . . . 74.340000000000003 111.726 178.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.513 ' HB3' HG23 ' B' ' 36' ' ' ILE . 8.3 tt -109.3 113.73 26.81 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 109.912 -0.403 . . . . 74.140000000000001 109.912 174.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.466 ' OD1' HG13 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -130.92 112.98 13.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.359 0.599 . . . . 74.439999999999998 111.637 178.788 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -85.64 136.08 33.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.645 0.736 . . . . 61.210000000000001 112.02 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.63 ' HD2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -119.64 -145.98 0.38 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.244 -0.889 . . . . 73.120000000000005 109.874 177.639 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.48 ' O ' HG13 ' A' ' 44' ' ' ILE . 3.9 m-20 -51.7 86.62 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 112.75 0.648 . . . . 73.409999999999997 112.75 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.7 5.64 32.04 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 114.775 0.67 . . . . 62.210000000000001 114.775 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 42' ' ' ASP . 3.4 mt -132.52 162.16 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 117.574 0.687 . . . . 72.219999999999999 110.804 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 35.3 p90 -133.07 150.75 52.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.713 0.292 . . . . 73.430000000000007 111.172 174.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.509 HG22 ' HE3' ' A' ' 41' ' ' LYS . 1.8 t -127.34 111.71 14.2 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.36 -0.382 . . . . 64.040000000000006 111.052 174.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.44 ' SG ' HD13 ' A' ' 36' ' ' ILE . 46.7 t -104.56 116.26 31.77 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.294 -0.412 . . . . 73.209999999999994 111.546 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.503 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 75.1 m-20 -97.57 114.07 25.91 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.36 0.264 . . . . 63.219999999999999 111.039 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.8 tp -98.12 123.25 42.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.842 0.353 . . . . 73.430000000000007 111.191 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.508 ' HG3' ' HE2' ' A' ' 83' ' ' HIS . 67.2 mmm -117.46 108.22 15.26 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.104 0.478 . . . . 73.310000000000002 111.264 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.45 HG21 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -139.99 161.4 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.935 -0.575 . . . . 74.409999999999997 111.592 -176.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 3' ' ' ASP . 47.7 m-85 -92.93 139.47 30.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.974 0.416 . . . . 72.430000000000007 111.487 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.7 m -132.75 141.8 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.01 0.433 . . . . 73.420000000000002 111.47 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.591 ' HD2' ' HE3' ' A' ' 1' ' ' MET . 17.9 mtmm -79.19 -15.5 57.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.331 -0.395 . . . . 74.010000000000005 112.06 177.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -160.05 153.22 21.89 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.818 0.342 . . . . 72.439999999999998 111.553 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -63.93 -27.89 69.45 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.366 -0.379 . . . . 73.209999999999994 112.006 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.07 -41.53 78.93 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.213 0.53 . . . . 62.439999999999998 110.655 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -57.43 -51.91 67.52 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.918 -0.583 . . . . 73.120000000000005 111.143 174.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.466 HD21 ' HD2' ' A' ' 77' ' ' ARG . 58.4 tp -59.12 -48.11 82.8 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.13 -0.486 . . . . 75.0 112.037 -177.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.4 p -63.72 -35.39 80.39 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.825 0.345 . . . . 74.510000000000005 111.448 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.2 m -64.88 -45.45 85.92 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.745 0.307 . . . . 74.430000000000007 110.948 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.5 mt -58.29 -49.14 78.2 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.602 -0.272 . . . . 71.209999999999994 111.416 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 57.6 mtm -61.49 -36.24 79.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 120.985 -0.286 . . . . 72.409999999999997 111.424 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.494 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 24.5 t70 -63.8 -45.77 88.16 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.907 -0.317 . . . . 73.409999999999997 110.5 174.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -51.38 -39.05 56.36 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.363 0.601 . . . . 72.230000000000004 110.955 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.608 HD13 HD12 ' A' ' 10' ' ' ILE . 38.0 mt -76.71 -28.93 56.02 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.808 -0.633 . . . . 70.450000000000003 111.403 177.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 67' ' ' ARG . 3.8 mmp_? -67.79 -18.92 65.01 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.382 -0.372 . . . . 74.329999999999998 111.767 176.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.494 ' HE3' ' O ' ' A' ' 64' ' ' ASP . 7.7 mmpt? -71.17 -15.87 62.5 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 111.875 0.324 . . . . 72.349999999999994 111.875 -176.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.402 HG12 ' HE2' ' A' ' 18' ' ' MET . 60.7 t -78.04 122.06 32.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 121.034 0.445 . . . . 74.340000000000003 111.932 -175.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -61.43 -28.23 69.11 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.717 -0.674 . . . . 63.119999999999997 112.441 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.6 -11.32 83.2 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 121.248 -0.501 . . . . 73.540000000000006 114.095 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.5 t -97.36 147.0 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 117.471 0.636 . . . . 75.049999999999997 111.327 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.35 -34.6 4.26 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 111.949 0.352 . . . . 75.420000000000002 111.949 175.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.556 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.4 p -116.39 130.9 57.01 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.141 0.496 . . . . 75.329999999999998 111.792 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.1 t -138.13 104.3 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 109.383 -0.599 . . . . 73.549999999999997 109.383 171.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -124.12 153.39 41.54 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.29 -0.414 . . . . 75.420000000000002 111.812 -171.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.466 ' HD2' HD21 ' A' ' 59' ' ' LEU . 30.4 ttt85 -82.77 126.99 33.02 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.952 0.406 . . . . 71.409999999999997 110.858 172.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.9 mt -76.85 96.59 4.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.994 0.426 . . . . 73.420000000000002 109.926 172.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.9 p -73.61 -57.31 4.08 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.08 0.467 . . . . 55.32 111.372 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -84.99 107.39 17.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.41 -0.359 . . . . 73.329999999999998 110.043 175.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.9 mt -84.87 151.68 24.12 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.627 0.727 . . . . 74.400000000000006 112.77 -173.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -90.56 15.88 10.05 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.267 -0.878 . . . . 72.209999999999994 110.837 175.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.508 ' HE2' ' HG3' ' A' ' 50' ' ' MET . 18.3 m-70 -88.92 73.5 8.35 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.535 0.683 . . . . 74.450000000000003 111.896 -174.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -62.76 101.71 0.28 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.399 -0.818 . . . . 74.530000000000001 111.827 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -55.29 132.27 47.5 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.121 -0.49 . . . . 74.219999999999999 111.049 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -121.54 177.95 5.01 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.174 0.511 . . . . 73.329999999999998 112.176 -171.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -133.29 -177.95 4.76 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.656 -0.702 . . . . 75.540000000000006 110.691 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.767 -0.635 . . . . 71.010000000000005 111.153 177.768 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.396 0.141 . . . . 74.409999999999997 111.217 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.45 HG23 ' O ' ' B' ' 2' ' ' THR . 11.7 m 62.82 24.14 14.38 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.594 0.711 . . . . 73.209999999999994 111.551 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.481 ' HA ' ' HA ' ' B' ' 54' ' ' LYS . 4.8 p-10 -95.91 170.85 9.01 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.148 0.499 . . . . 53.229999999999997 112.058 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.89 153.89 33.95 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.135 -0.484 . . . . 74.329999999999998 110.767 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 tp -78.8 103.21 8.6 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.041 0.448 . . . . 74.099999999999994 111.085 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.1 149.01 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.027 -0.533 . . . . 72.120000000000005 111.547 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.435 ' HA3' ' HB2' ' B' ' 78' ' ' LEU . . . -122.13 145.54 16.66 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.831 -0.7 . . . . 74.319999999999993 113.306 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.479 HD12 HD21 ' B' ' 49' ' ' LEU . 49.5 mt -132.86 149.71 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 122.72 0.408 . . . . 75.030000000000001 110.46 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -130.65 124.86 32.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.944 0.402 . . . . 74.329999999999998 111.171 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.534 ' HB ' ' HB3' ' B' ' 47' ' ' CYS . 35.3 mt -116.37 117.31 55.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.042 -0.526 . . . . 74.409999999999997 110.822 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.645 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 54.3 t -116.62 114.29 45.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-O 121.698 0.761 . . . . 73.120000000000005 111.29 176.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.45 170.89 24.23 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.324 -0.853 . . . . 70.019999999999996 112.234 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -68.48 134.67 50.47 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.111 0.481 . . . . 72.109999999999999 112.099 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -78.61 81.82 4.9 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.449 0.642 . . . . 74.109999999999999 111.433 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -94.43 166.71 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.649 0.738 . . . . 75.519999999999996 112.649 170.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -75.58 55.89 0.86 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.56 -1.2 . . . . 73.420000000000002 111.123 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.26 -27.48 0.25 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.945 -0.57 . . . . 74.200000000000003 112.939 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.442 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 38.6 mmm -56.84 -51.01 70.69 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.251 0.463 . . . . 75.230000000000004 112.251 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.7 p -58.3 -33.8 69.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.966 0.413 . . . . 75.109999999999999 111.831 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -72.47 -47.76 46.21 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.173 0.511 . . . . 73.430000000000007 110.659 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.442 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 8.7 pt20 -66.34 -36.7 83.58 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.984 -0.553 . . . . 73.239999999999995 111.441 -177.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.466 HD11 HG12 ' B' ' 69' ' ' VAL . 13.8 mm -62.01 -54.45 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 112.22 0.452 . . . . 74.310000000000002 112.22 -177.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -71.79 -27.24 62.81 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.228 0.537 . . . . 72.430000000000007 110.259 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.495 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.77 -47.58 90.24 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 115.869 -0.605 . . . . 73.209999999999994 112.437 173.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 21' ' ' GLN . 92.6 t -65.81 -38.81 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 122.611 -0.346 . . . . 74.430000000000007 111.111 175.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 22' ' ' ILE . 72.8 mt -58.11 -41.91 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 120.858 0.361 . . . . 71.239999999999995 111.717 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 84.0 p -65.03 -21.58 66.86 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 122.13 -0.356 . . . . 73.040000000000006 111.4 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 29.2 mtpp -80.58 -0.91 39.87 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.038 0.384 . . . . 72.540000000000006 112.038 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -70.22 163.71 25.85 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.515 0.674 . . . . 74.140000000000001 112.078 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -19.05 50.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.734 -0.666 . . . . 74.109999999999999 111.328 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.8 t -97.4 157.08 16.17 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.887 0.699 . . . . 74.25 112.887 -170.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -84.55 126.26 33.15 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.734 -0.666 . . . . 75.219999999999999 111.287 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.51 HG13 ' ND2' ' A' ' 20' ' ' ASN . 73.3 mt -75.83 99.4 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 120.925 0.393 . . . . 75.329999999999998 111.595 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.416 ' HD2' ' HB3' ' A' ' 40' ' ' ALA . 20.9 tpt180 -76.89 -27.35 54.95 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.272 0.558 . . . . 73.010000000000005 110.696 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 6.7 m -159.55 148.49 17.94 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.034 -0.53 . . . . 74.439999999999998 110.514 176.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 38' ' ' LEU . 17.5 tt -157.63 138.35 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.45 0.643 . . . . 74.120000000000005 111.628 171.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 92.8 t -130.37 146.96 33.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.563 -0.744 . . . . 70.329999999999998 110.022 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.627 ' HB3' HG21 ' A' ' 36' ' ' ILE . 9.6 tt -143.04 110.94 5.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.045 -0.354 . . . . 74.109999999999999 110.045 172.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' B' ' 45' ' ' PHE . 55.6 m-20 -113.53 107.91 16.45 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.474 -0.33 . . . . 73.310000000000002 111.485 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -90.74 103.69 16.36 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.274 0.559 . . . . 73.329999999999998 110.694 175.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' B' ' 43' ' ' GLY . 64.0 pttt -124.54 141.83 51.8 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.993 -0.549 . . . . 71.430000000000007 110.507 -178.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 18.6 t70 71.05 -32.8 0.25 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.573 0.583 . . . . 72.530000000000001 112.573 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' B' ' 41' ' ' LYS . . . 140.84 0.81 1.68 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.711 -0.556 . . . . 72.019999999999996 111.711 -171.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.06 153.13 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 122.77 0.428 . . . . 74.420000000000002 110.158 175.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.3 p90 -118.48 141.11 48.88 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.897 0.38 . . . . 73.120000000000005 111.367 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -113.49 99.89 8.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.992 0.425 . . . . 74.409999999999997 110.875 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 43.4 t -87.29 108.79 19.11 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.131 0.491 . . . . 72.530000000000001 111.803 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.53 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 15.2 m120 -93.15 105.34 17.44 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.217 -0.447 . . . . 73.299999999999997 111.3 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.479 HD21 HD12 ' B' ' 8' ' ' ILE . 63.7 tp -98.29 139.69 33.7 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.864 0.364 . . . . 74.140000000000001 111.37 -178.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.562 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.4 mmm -131.61 112.84 12.95 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.852 0.358 . . . . 75.349999999999994 110.857 176.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.503 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -139.43 159.07 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.982 0.42 . . . . 73.430000000000007 111.822 -176.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -93.23 132.71 37.15 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.022 0.439 . . . . 74.109999999999999 112.161 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 m -135.81 159.16 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 116.311 -0.404 . . . . 73.439999999999998 110.499 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.481 ' HA ' ' HA ' ' B' ' 3' ' ' ASP . 38.0 mtmm -97.64 -18.87 18.65 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.931 0.396 . . . . 75.219999999999999 111.983 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -136.95 142.27 42.64 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.946 0.403 . . . . 73.340000000000003 111.45 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -61.04 -29.89 69.99 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.862 0.363 . . . . 73.319999999999993 111.585 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.97 -38.67 91.72 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.579 0.704 . . . . 71.010000000000005 110.473 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -58.02 -40.85 81.82 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.447 -0.797 . . . . 75.230000000000004 110.959 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 57.3 tp -65.11 -47.62 76.51 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.039 -0.528 . . . . 73.420000000000002 111.587 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.3 p -64.62 -32.48 74.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.916 0.389 . . . . 65.209999999999994 111.235 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 56.1 m -58.43 -41.38 84.93 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.972 0.415 . . . . 73.549999999999997 111.326 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.11 -38.12 89.91 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.433 -0.349 . . . . 74.439999999999998 110.971 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.445 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 59.4 mtt -55.97 -53.68 53.91 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.53 -0.305 . . . . 74.25 110.678 176.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -53.61 -42.2 67.45 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.266 -0.424 . . . . 71.129999999999995 111.195 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -58.94 -45.24 90.91 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.209 0.528 . . . . 74.239999999999995 111.337 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 51.0 mt -72.71 -26.73 61.7 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.098 -0.501 . . . . 74.430000000000007 111.575 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 63' ' ' MET . 92.7 mtt180 -74.28 -8.35 55.92 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.245 -0.434 . . . . 71.239999999999995 111.672 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -77.71 -15.15 59.35 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.785 0.326 . . . . 73.120000000000005 111.672 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.466 HG12 HD11 ' B' ' 22' ' ' ILE . 45.1 t -76.03 118.89 23.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.379 0.609 . . . . 75.140000000000001 111.47 -177.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 pm0 -51.28 -33.13 27.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.971 -1.013 . . . . 75.439999999999998 113.359 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.72 -1.27 65.92 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 120.92 -0.657 . . . . 74.0 114.596 -174.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -104.88 129.9 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-N 117.811 0.806 . . . . 75.310000000000002 111.83 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -111.04 -17.37 13.28 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.495 0.554 . . . . 74.549999999999997 112.495 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.645 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.1 p -129.06 127.93 42.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.168 0.509 . . . . 70.420000000000002 111.893 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.0 t -135.95 104.75 4.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 116.051 -0.522 . . . . 73.25 109.841 172.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -123.73 170.99 9.96 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.283 -0.417 . . . . 53.229999999999997 111.875 -171.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -95.79 142.5 28.0 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.163 0.506 . . . . 70.120000000000005 111.259 172.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.435 ' HB2' ' HA3' ' B' ' 7' ' ' GLY . 97.5 mt -87.68 109.59 19.8 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.13 0.49 . . . . 75.120000000000005 110.285 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 79.6 p -89.51 -43.25 10.95 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.594 0.59 . . . . 75.310000000000002 112.594 -173.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -95.85 100.1 11.84 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 120.961 0.41 . . . . 63.020000000000003 110.886 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 mt -94.45 138.31 32.53 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.371 0.605 . . . . 74.239999999999995 112.582 -174.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.22 15.23 15.92 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.386 0.612 . . . . 74.040000000000006 111.485 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -79.03 -0.27 30.63 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.149 -0.478 . . . . 73.230000000000004 112.099 -175.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -63.3 -65.92 0.62 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.049 0.452 . . . . 74.430000000000007 111.292 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -82.14 66.93 7.94 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.289 0.566 . . . . 61.329999999999998 111.197 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -69.57 79.58 0.41 Allowed 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.328 0.585 . . . . 71.219999999999999 111.003 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -161.76 150.47 15.57 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.818 -0.628 . . . . 74.129999999999995 111.3 -174.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 60.2 m80 . . . . . 0 C--O 1.255 1.363 0 CA-C-O 118.729 -0.653 . . . . 75.120000000000005 111.431 175.552 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 mmt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.171 0.51 . . . . 74.430000000000007 111.883 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 t -89.71 -171.98 3.39 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.818 -0.628 . . . . 71.450000000000003 110.936 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.19 142.06 36.64 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.34 0.496 . . . . 74.530000000000001 112.34 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -136.75 157.41 46.83 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.821 0.343 . . . . 74.519999999999996 110.16 173.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.416 HD22 ' ND1' ' A' ' 83' ' ' HIS . 47.6 tp -83.01 107.29 15.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.255 0.55 . . . . 75.200000000000003 111.361 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.32 156.29 17.32 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.811 -0.631 . . . . 71.109999999999999 111.709 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.09 147.43 17.71 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 121.128 -0.558 . . . . 71.329999999999998 113.594 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.42 HG23 ' HG2' ' A' ' 63' ' ' MET . 41.3 mt -135.76 151.01 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.097 0.559 . . . . 74.230000000000004 110.397 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.452 ' HB2' HD22 ' A' ' 78' ' ' LEU . 68.4 ttt180 -131.01 137.56 49.26 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 122.066 -0.396 . . . . 74.540000000000006 111.167 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 66' ' ' LEU . 46.5 mt -127.9 118.6 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 116.297 -0.41 . . . . 72.120000000000005 111.722 -174.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.635 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.3 t -117.07 115.41 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.55 0.69 . . . . 75.349999999999994 110.8 172.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.69 168.68 25.83 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.681 -0.69 . . . . 72.349999999999994 112.792 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.55 132.09 46.35 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.392 0.615 . . . . 73.0 112.194 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.18 89.71 4.88 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.269 0.557 . . . . 75.439999999999998 111.664 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 35.6 mttp -100.83 173.5 6.47 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.797 1.036 . . . . 60.409999999999997 113.797 175.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -52.21 -13.5 0.34 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.984 -1.462 . . . . 74.140000000000001 114.499 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.46 2.37 0.93 Allowed Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.553 -0.832 . . . . 72.099999999999994 114.303 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.484 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 71.5 mmm -64.63 -51.42 62.73 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 117.685 0.742 . . . . 72.439999999999998 112.916 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.9 p -60.74 -32.23 71.52 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 122.024 -0.422 . . . . 75.450000000000003 111.772 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -74.83 -45.75 41.22 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.987 0.422 . . . . 75.329999999999998 110.837 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.484 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.2 pt20 -70.61 -33.19 70.77 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.209 -0.45 . . . . 75.430000000000007 111.77 -177.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.515 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 11.7 mm -63.91 -54.66 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 112.111 0.412 . . . . 53.219999999999999 112.111 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 m -72.29 -26.8 62.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.269 0.557 . . . . 71.439999999999998 110.062 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.592 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.66 -52.3 53.86 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.797 -0.638 . . . . 62.420000000000002 112.373 172.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 21' ' ' GLN . 69.9 t -60.32 -38.0 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 122.366 -0.491 . . . . 62.219999999999999 111.086 176.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 22' ' ' ILE . 69.2 mt -58.39 -45.09 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 116.2 -0.455 . . . . 72.25 111.774 175.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.423 ' HA ' HD11 ' A' ' 33' ' ' ILE . 96.9 p -67.99 -22.26 65.01 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.834 0.35 . . . . 64.439999999999998 111.137 178.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 95.5 mttt -75.55 -6.72 51.66 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.581 -0.281 . . . . 74.299999999999997 111.62 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.539 ' HE1' ' HZ2' ' A' ' 65' ' ' LYS . 18.3 m-30 -69.03 147.51 51.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.359 0.599 . . . . 73.329999999999998 112.18 178.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -63.64 -23.02 67.21 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.525 -0.761 . . . . 70.310000000000002 112.336 177.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.8 t -86.97 169.47 12.42 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.322 0.582 . . . . 73.519999999999996 112.293 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.435 ' O ' HG21 ' A' ' 51' ' ' ILE . 16.5 m120 -94.63 122.13 36.91 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 112.241 -177.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 27' ' ' SER . 57.8 mt -65.33 94.75 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-O 120.96 0.41 . . . . 64.519999999999996 110.68 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -80.24 -32.25 38.42 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.792 0.329 . . . . 72.519999999999996 110.765 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.566 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 63.7 m -155.85 135.91 12.88 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.202 -0.454 . . . . 75.010000000000005 110.732 174.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.572 ' O ' ' HA ' ' B' ' 37' ' ' VAL . 10.8 tp -136.01 144.35 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.673 0.273 . . . . 73.540000000000006 111.21 177.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 99.3 t -135.06 139.3 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.361 -0.381 . . . . 74.530000000000001 110.275 174.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.654 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.3 tt -145.08 127.65 16.09 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.583 -0.525 . . . . 73.540000000000006 109.583 171.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.445 ' OD1' HG23 ' A' ' 46' ' ' THR . 1.9 p-10 -144.86 119.34 9.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.209 0.528 . . . . 72.450000000000003 111.688 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -104.94 120.69 42.06 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.772 -0.649 . . . . 65.439999999999998 112.097 -177.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -129.85 142.21 50.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.403 -0.362 . . . . 72.450000000000003 111.416 177.521 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.4 t70 70.78 -28.43 0.18 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 113.314 0.857 . . . . 64.340000000000003 113.314 174.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.68 -2.96 1.29 Allowed Glycine 0 CA--C 1.524 0.613 0 C-N-CA 121.417 -0.42 . . . . 74.400000000000006 112.238 -175.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mt -124.9 154.5 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.693 0.282 . . . . 72.409999999999997 110.303 176.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.534 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 45.0 p90 -122.63 154.24 38.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 73.420000000000002 111.351 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 1.5 t -124.75 103.44 8.09 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.118 0.485 . . . . 73.140000000000001 111.352 172.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 45.1 t -97.23 117.67 31.97 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.424 -0.353 . . . . 61.439999999999998 111.609 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.496 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 3.1 m-20 -103.11 115.49 30.68 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.397 0.279 . . . . 63.219999999999999 110.935 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.1 tp -101.46 136.44 41.29 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.315 0.487 . . . . 62.520000000000003 112.315 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.564 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 72.5 mmm -127.31 112.85 15.53 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.246 -0.434 . . . . 74.409999999999997 110.765 175.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.435 HG21 ' O ' ' A' ' 32' ' ' ASN . 2.3 pp -141.86 165.72 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 116.355 -0.384 . . . . 72.450000000000003 111.72 -175.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -97.0 133.79 41.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.966 0.412 . . . . 74.349999999999994 111.953 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 m -132.38 153.32 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.167 -0.47 . . . . 75.209999999999994 110.948 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -91.17 -3.06 57.36 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.39 0.515 . . . . 72.420000000000002 112.39 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -169.28 148.02 3.83 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 120.769 0.319 . . . . 75.430000000000007 111.739 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.2 p -60.59 -26.23 66.82 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.309 0.485 . . . . 73.319999999999993 112.309 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.95 -44.31 96.41 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.349 0.595 . . . . 73.109999999999999 110.017 177.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -57.16 -41.22 78.79 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.459 -0.791 . . . . 74.129999999999995 110.843 174.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.7 tp -61.49 -47.41 85.78 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.098 -0.501 . . . . 72.5 111.501 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.3 p -64.9 -31.66 73.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.852 0.358 . . . . 70.310000000000002 111.183 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.439 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 95.0 m -62.16 -45.26 94.22 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.881 0.372 . . . . 73.510000000000005 111.242 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.9 -48.43 80.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.599 -0.273 . . . . 71.109999999999999 111.374 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.493 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 69.1 mtm -56.23 -39.03 71.87 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.849 0.357 . . . . 74.450000000000003 110.957 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 13.2 t70 -62.32 -46.32 89.26 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.521 -0.308 . . . . 64.019999999999996 110.722 175.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.617 ' HZ1' ' HB3' ' A' ' 65' ' ' LYS . 9.0 mtpm? -55.99 -38.71 70.81 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.067 0.461 . . . . 74.129999999999995 111.413 176.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.666 HD13 HD12 ' A' ' 10' ' ' ILE . 60.9 mt -73.07 -32.37 64.98 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.029 -0.532 . . . . 74.530000000000001 111.34 178.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 63' ' ' MET . 91.9 mtt180 -71.87 -8.85 56.82 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.833 0.349 . . . . 74.430000000000007 111.909 177.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.517 ' HE3' ' HA ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -79.67 -8.54 59.28 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 111.769 0.285 . . . . 75.019999999999996 111.769 177.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.9 t -78.65 131.34 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.162 0.506 . . . . 73.349999999999994 111.494 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 71' ' ' GLY . 19.0 pt20 -48.22 -48.78 34.85 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.692 0.997 . . . . 71.129999999999995 113.692 -174.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.457 ' N ' ' HG3' ' A' ' 70' ' ' GLN . . . -92.78 0.62 70.27 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 115.064 0.785 . . . . 63.32 115.064 -170.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.9 t -94.68 126.26 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 118.155 0.978 . . . . 72.340000000000003 111.747 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.11 -24.44 11.95 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.171 -0.468 . . . . 75.239999999999995 112.188 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.635 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.3 p -125.25 128.72 48.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.302 0.572 . . . . 70.219999999999999 112.091 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 37.7 t -141.33 105.19 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.762 -0.654 . . . . 64.219999999999999 109.339 172.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -118.1 164.07 15.68 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.271 0.558 . . . . 71.310000000000002 112.392 -173.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.426 ' NH1' ' OG ' ' A' ' 79' ' ' SER . 64.0 ttp85 -86.53 146.5 26.35 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.844 -0.616 . . . . 73.439999999999998 111.093 175.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 9' ' ' ARG . 98.0 mt -104.35 123.25 47.06 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.902 0.382 . . . . 72.409999999999997 110.882 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.426 ' OG ' ' NH1' ' A' ' 77' ' ' ARG . 71.2 m -101.33 -45.9 5.19 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.19 0.519 . . . . 73.439999999999998 111.33 -178.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -83.13 104.64 13.47 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.108 -0.496 . . . . 63.420000000000002 111.003 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.421 ' HB3' ' CD2' ' A' ' 83' ' ' HIS . 71.2 mt -112.48 139.43 48.06 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.997 0.427 . . . . 71.310000000000002 112.146 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -83.18 6.98 17.49 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.136 0.493 . . . . 74.409999999999997 111.489 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.421 ' CD2' ' HB3' ' A' ' 81' ' ' LEU . 25.6 m-70 -76.98 -18.53 58.16 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.591 0.589 . . . . 73.430000000000007 112.591 -169.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -106.93 102.02 11.41 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.081 0.467 . . . . 52.399999999999999 111.228 173.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -105.38 133.39 50.21 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.126 -0.488 . . . . 75.230000000000004 111.103 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -91.48 135.47 33.82 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.521 0.2 . . . . 74.120000000000005 111.308 -176.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -67.82 -31.64 71.63 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.908 0.385 . . . . 74.340000000000003 111.2 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.758 -0.639 . . . . 74.420000000000002 111.217 176.486 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.693 0.283 . . . . 75.040000000000006 111.338 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 93.6 m -75.25 107.23 7.21 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.154 0.502 . . . . 74.049999999999997 111.262 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.444 ' HA ' ' HA ' ' B' ' 54' ' ' LYS . 6.6 p-10 -74.78 139.95 43.68 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.931 -0.577 . . . . 61.229999999999997 112.357 -178.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -113.12 157.68 21.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.101 -0.5 . . . . 74.150000000000006 110.112 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.424 HD21 ' CE1' ' B' ' 83' ' ' HIS . 58.9 tp -80.05 108.53 13.72 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.102 0.477 . . . . 74.120000000000005 111.461 -178.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.426 ' HB1' HD21 ' B' ' 59' ' ' LEU . . . -108.48 156.03 19.93 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.984 -0.553 . . . . 71.409999999999997 112.069 -177.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.98 145.72 15.86 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 121.193 -0.527 . . . . 63.299999999999997 113.424 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 54.3 mt -132.48 141.16 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 122.883 0.473 . . . . 74.310000000000002 110.922 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.528 ' HB2' HD23 ' B' ' 78' ' ' LEU . 77.2 ttt180 -119.3 127.63 53.38 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 122.002 -0.436 . . . . 72.150000000000006 111.279 175.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' B' ' 46' ' ' THR . 22.0 mt -117.45 118.54 58.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-N 116.075 -0.511 . . . . 75.340000000000003 111.089 -178.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.593 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 89.3 t -118.34 118.73 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.47 0.652 . . . . 65.299999999999997 111.208 174.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.09 164.87 25.79 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.575 -0.739 . . . . 73.310000000000002 112.346 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -69.28 135.81 51.0 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.145 0.498 . . . . 72.129999999999995 111.844 -177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.83 87.94 0.54 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.383 0.611 . . . . 64.209999999999994 111.409 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.414 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 32.5 mmmt -88.57 -178.3 5.79 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 122.123 0.963 . . . . 75.450000000000003 112.663 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -45.17 -36.7 3.95 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 113.805 -1.543 . . . . 73.0 113.306 175.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.75 24.22 0.49 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 120.829 -0.7 . . . . 74.25 114.125 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.504 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 30.4 mmm -61.2 -50.04 74.74 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.574 0.583 . . . . 73.299999999999997 112.574 -179.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 68.1 p -55.01 -33.78 62.9 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.189 0.519 . . . . 73.409999999999997 111.525 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -76.02 -48.56 20.5 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.938 -0.573 . . . . 74.030000000000001 111.03 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.504 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -67.55 -37.86 83.31 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.319 -0.4 . . . . 73.430000000000007 111.561 -177.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 11.8 mm -57.79 -54.0 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 112.194 0.442 . . . . 64.329999999999998 112.194 -177.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m -73.37 -27.08 61.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.365 0.602 . . . . 70.129999999999995 110.491 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -38.98 96.65 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-N 115.947 -0.57 . . . . 64.310000000000002 112.765 172.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 21' ' ' GLN . 94.8 t -71.96 -35.44 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 O-C-N 122.433 -0.451 . . . . 74.510000000000005 111.029 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 66.4 mt -56.68 -41.33 74.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 120.947 0.403 . . . . 64.540000000000006 111.967 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.4 p -62.37 -20.86 64.85 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 120.782 0.325 . . . . 73.040000000000006 111.528 177.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -90.97 16.82 8.8 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 111.979 0.362 . . . . 72.439999999999998 111.979 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -84.0 166.9 17.38 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.059 0.933 . . . . 74.510000000000005 113.217 -178.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.66 13.61 5.51 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 114.574 -1.194 . . . . 63.039999999999999 111.555 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.4 t -134.15 163.71 28.99 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.84 -0.537 . . . . 71.209999999999994 111.915 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -97.0 134.18 40.7 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.012 0.434 . . . . 72.120000000000005 111.864 -177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.433 ' HA ' HG21 ' B' ' 51' ' ' ILE . 62.9 mt -72.43 120.68 21.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 116.155 -0.475 . . . . 75.219999999999999 111.951 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' B' ' 34' ' ' ARG . 20.6 mmt180 -98.79 -33.15 11.02 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.914 0.388 . . . . 75.239999999999995 111.174 173.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.654 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 30.3 m -153.92 132.09 11.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.181 -0.463 . . . . 74.409999999999997 111.033 174.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.638 HD13 ' SG ' ' B' ' 47' ' ' CYS . 10.4 tp -133.53 119.04 32.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.045 0.45 . . . . 72.340000000000003 110.188 173.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 77.9 t -131.35 104.59 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.05 0.452 . . . . 73.129999999999995 111.602 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.566 ' O ' ' HA ' ' A' ' 35' ' ' THR . 8.3 tt -111.62 131.32 55.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.406 -0.361 . . . . 71.209999999999994 110.051 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -143.37 139.11 29.86 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.981 0.42 . . . . 75.019999999999996 110.918 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.576 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -109.0 117.1 33.34 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.085 0.469 . . . . 75.319999999999993 111.349 178.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.469 ' HG2' ' OD2' ' B' ' 42' ' ' ASP . 0.0 OUTLIER -146.93 153.96 40.72 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.787 -0.642 . . . . 74.319999999999993 109.851 -179.522 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . 0.469 ' OD2' ' HG2' ' B' ' 41' ' ' LYS . 22.6 m-20 63.77 21.14 12.55 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.994 0.426 . . . . 74.010000000000005 111.388 -176.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.89 -5.15 85.64 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.541 -0.361 . . . . 50.130000000000003 113.851 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -124.8 162.03 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 122.537 -0.39 . . . . 74.25 110.201 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.576 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 25.9 p90 -121.72 144.72 48.62 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.873 -0.517 . . . . 74.540000000000006 111.685 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 8.7 t -122.75 111.79 17.13 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.005 -0.543 . . . . 75.010000000000005 110.987 175.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.638 ' SG ' HD13 ' B' ' 36' ' ' ILE . 44.9 t -92.14 128.63 38.06 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.262 -0.426 . . . . 73.049999999999997 110.726 176.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.431 ' O ' HD12 ' B' ' 36' ' ' ILE . 46.3 t-20 -109.41 113.32 26.02 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.332 -0.395 . . . . 64.349999999999994 110.671 -177.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 59.3 tp -111.62 117.38 32.79 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.246 0.546 . . . . 74.430000000000007 112.453 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.563 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 69.3 mmm -112.36 112.1 23.43 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.985 -0.552 . . . . 74.219999999999999 110.966 175.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.433 HG21 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -141.6 165.41 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 116.271 -0.422 . . . . 75.319999999999993 111.46 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -92.54 136.53 33.14 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.973 0.416 . . . . 62.109999999999999 111.833 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -130.86 141.35 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 116.238 -0.437 . . . . 74.010000000000005 110.851 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' B' ' 3' ' ' ASP . 0.1 OUTLIER -73.08 -11.55 60.59 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.669 0.618 . . . . 75.230000000000004 112.669 179.627 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -174.93 176.62 2.14 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.901 0.481 . . . . 74.400000000000006 110.962 173.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 81.9 p -70.06 -32.91 71.25 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.662 0.616 . . . . 75.420000000000002 112.662 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -62.72 -42.0 99.44 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.766 0.794 . . . . 63.229999999999997 110.217 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -58.14 -39.91 79.95 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.896 -1.047 . . . . 74.519999999999996 110.976 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.426 HD21 ' HB1' ' B' ' 6' ' ' ALA . 54.7 tp -66.77 -48.17 69.88 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.217 -0.447 . . . . 73.340000000000003 111.642 177.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 70.0 p -66.04 -27.72 68.31 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.423 -0.353 . . . . 62.340000000000003 111.858 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 92.2 m -58.3 -41.8 85.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.198 0.523 . . . . 73.219999999999999 111.051 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.51 -35.58 79.84 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.996 -0.547 . . . . 72.040000000000006 111.3 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.455 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 55.3 mtt -59.01 -51.1 71.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.884 0.373 . . . . 72.310000000000002 110.526 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.14 -45.11 79.7 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.011 -0.54 . . . . 74.239999999999995 110.991 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -55.43 -43.67 75.58 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.022 0.439 . . . . 74.439999999999998 111.71 176.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 43.6 mt -72.06 -33.11 67.7 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.184 0.516 . . . . 62.409999999999997 111.652 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' B' ' 63' ' ' MET . 98.2 mtt180 -70.15 -7.53 42.4 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.355 0.502 . . . . 75.510000000000005 112.355 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -71.95 -15.83 62.08 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 122.011 -0.431 . . . . 74.340000000000003 111.2 176.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 51.2 t -82.87 119.02 31.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.942 0.401 . . . . 63.0 111.257 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -62.66 -20.2 64.58 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.915 -0.584 . . . . 74.239999999999995 112.493 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.46 -20.47 66.48 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 121.116 -0.564 . . . . 73.5 113.73 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 53.4 t -91.3 146.06 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 117.423 0.611 . . . . 74.340000000000003 111.53 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -123.96 -21.46 5.09 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.298 0.481 . . . . 74.519999999999996 112.298 175.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.593 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 7.8 p -127.22 123.55 36.84 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.926 -0.483 . . . . 73.430000000000007 111.841 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.407 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 37.2 t -134.28 103.68 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 109.367 -0.605 . . . . 72.540000000000006 109.367 170.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -122.01 170.96 9.31 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.234 0.54 . . . . 75.150000000000006 112.231 -169.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -94.76 144.0 25.99 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.017 -0.538 . . . . 74.349999999999994 110.671 172.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' B' ' 9' ' ' ARG . 90.0 mt -92.12 125.13 36.68 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.384 -0.371 . . . . 75.329999999999998 111.349 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 97.2 p -88.93 -53.98 4.34 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.036 0.384 . . . . 75.400000000000006 112.036 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -99.85 108.25 20.47 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.138 0.494 . . . . 63.520000000000003 111.78 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.412 ' HB3' ' HD2' ' B' ' 83' ' ' HIS . 55.2 mt -89.6 178.4 6.29 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.053 -0.521 . . . . 73.329999999999998 111.582 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.91 6.26 25.15 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.908 0.385 . . . . 71.329999999999998 111.967 173.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.478 ' HE2' ' HG3' ' B' ' 50' ' ' MET . 43.1 m-70 -70.7 -12.56 61.63 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.692 0.627 . . . . 74.019999999999996 112.692 -175.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -91.95 22.13 4.48 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.043 0.449 . . . . 70.530000000000001 110.353 173.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -49.32 95.66 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.732 -0.667 . . . . 63.25 112.535 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -98.8 -154.33 0.46 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.62 -0.718 . . . . 73.5 109.215 170.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -112.69 90.72 3.42 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 120.949 0.404 . . . . 73.140000000000001 110.481 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.591 -0.718 . . . . 73.430000000000007 111.809 -178.415 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mmm . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 120.628 0.251 . . . . 75.420000000000002 111.507 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -79.44 152.56 30.22 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.946 0.403 . . . . 72.430000000000007 111.497 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -77.24 143.74 38.73 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.032 0.444 . . . . 75.230000000000004 111.531 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 6' ' ' ALA . 55.2 p90 -119.63 155.37 32.45 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.882 0.372 . . . . 75.120000000000005 110.418 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.2 tp -81.68 102.43 10.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.36 0.6 . . . . 71.120000000000005 110.931 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.416 ' HB3' ' CE2' ' A' ' 4' ' ' PHE . . . -95.37 155.75 16.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.589 -0.732 . . . . 74.129999999999995 111.575 -178.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.33 143.1 14.13 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.172 -0.467 . . . . 63.530000000000001 112.811 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.2 mt -131.34 138.08 54.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 122.727 -0.279 . . . . 73.319999999999993 110.601 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HB2' HD23 ' A' ' 78' ' ' LEU . 54.7 ttp180 -111.75 118.37 35.43 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.183 -0.302 . . . . 75.140000000000001 110.183 174.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 46' ' ' THR . 31.6 mt -105.91 116.6 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.625 -0.261 . . . . 74.239999999999995 110.799 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.572 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 54.4 t -116.31 113.55 43.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 121.669 0.747 . . . . 71.230000000000004 111.504 178.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.26 167.62 26.03 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.388 -0.824 . . . . 71.230000000000004 112.645 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -65.16 134.05 52.88 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.389 0.614 . . . . 73.209999999999994 112.403 -177.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.486 ' CG ' HH12 ' B' ' 34' ' ' ARG . 12.6 t70 -74.08 111.77 9.57 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.811 -0.631 . . . . 74.030000000000001 111.613 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -137.77 168.61 19.33 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.489 0.922 . . . . 64.450000000000003 113.489 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -72.07 57.9 0.35 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.181 -1.372 . . . . 73.299999999999997 112.03 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.38 -33.06 0.32 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 115.451 -0.795 . . . . 72.540000000000006 113.268 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.424 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 58.4 mmm -57.96 -51.62 68.89 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.951 0.723 . . . . 75.030000000000001 112.951 -178.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.3 p -59.39 -34.15 72.07 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.186 0.517 . . . . 74.019999999999996 111.573 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.481 ' HA ' HD11 ' B' ' 33' ' ' ILE . 2.2 m-20 -76.06 -42.38 47.72 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.89 -0.596 . . . . 71.030000000000001 111.39 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.46 ' O ' HG22 ' A' ' 25' ' ' VAL . 8.6 pt20 -71.93 -37.31 70.04 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.885 0.374 . . . . 73.430000000000007 111.293 -176.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.418 HD11 ' HA ' ' A' ' 22' ' ' ILE . 10.1 mm -61.36 -54.33 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.237 0.458 . . . . 71.319999999999993 112.237 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.0 m -71.38 -26.97 63.02 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.412 0.625 . . . . 75.340000000000003 110.027 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.563 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.43 -45.12 96.02 Favored Glycine 0 CA--C 1.528 0.869 0 CA-C-N 115.753 -0.658 . . . . 70.219999999999999 112.582 172.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 21' ' ' GLN . 89.6 t -65.55 -38.39 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 122.364 -0.492 . . . . 75.329999999999998 110.933 176.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.427 HG22 HD11 ' A' ' 49' ' ' LEU . 62.5 mt -55.75 -44.63 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 116.165 -0.47 . . . . 74.109999999999999 112.084 176.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.5 p -64.2 -21.59 66.63 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.872 0.368 . . . . 72.120000000000005 111.03 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 91.2 mttt -86.7 14.32 7.24 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.32 -0.4 . . . . 74.430000000000007 111.724 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -86.17 175.42 8.52 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.713 0.768 . . . . 71.109999999999999 112.496 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.45 8.55 38.16 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.157 -0.928 . . . . 73.549999999999997 111.468 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 t -129.0 165.95 20.14 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 112.515 0.561 . . . . 74.209999999999994 112.515 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -99.58 119.93 38.85 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.169 -0.469 . . . . 74.310000000000002 112.115 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.61 119.21 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 116.071 -0.513 . . . . 74.0 111.425 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 4.4 mmp_? -100.98 -30.66 11.51 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.462 0.649 . . . . 74.340000000000003 110.441 175.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 18.4 m -156.95 145.65 19.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.443 -0.798 . . . . 70.400000000000006 109.791 176.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' B' ' 37' ' ' VAL . 14.3 tt -153.63 144.28 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.099 0.476 . . . . 74.439999999999998 111.738 173.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.477 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 80.5 t -136.27 134.64 49.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-N 115.625 -0.716 . . . . 72.5 110.253 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.592 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.4 tt -136.46 111.43 8.89 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.928 -0.397 . . . . 75.200000000000003 109.928 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.441 ' OD1' HG22 ' A' ' 46' ' ' THR . 6.2 p-10 -130.62 126.05 35.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.187 0.517 . . . . 73.030000000000001 111.268 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -103.67 116.6 32.65 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.175 -0.466 . . . . 75.409999999999997 112.232 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.448 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -135.92 148.97 48.76 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.001 -0.545 . . . . 73.030000000000001 110.623 178.653 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.0 t70 64.81 14.65 9.33 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.361 0.6 . . . . 54.219999999999999 111.761 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.92 9.87 70.34 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 121.209 -0.519 . . . . 64.299999999999997 113.211 -177.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 mt -130.06 158.3 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 122.698 0.399 . . . . 75.030000000000001 109.945 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.471 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 45.5 p90 -128.46 145.57 51.06 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 122.054 -0.404 . . . . 73.120000000000005 111.299 178.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.531 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -116.97 106.18 13.13 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.214 0.53 . . . . 62.539999999999999 111.475 174.797 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.442 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 53.6 t -88.11 100.12 12.71 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.218 0.532 . . . . 63.229999999999997 111.225 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.477 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 16.0 m120 -84.1 105.13 14.73 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.883 -0.598 . . . . 72.140000000000001 111.322 177.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.427 HD11 HG22 ' A' ' 26' ' ' ILE . 52.9 tp -98.71 132.55 44.0 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.999 0.37 . . . . 70.519999999999996 111.999 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.517 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.9 mmm -122.57 111.79 17.21 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.389 -0.369 . . . . 71.099999999999994 111.172 175.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.39 161.91 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 116.319 -0.4 . . . . 72.409999999999997 111.952 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -91.07 131.38 36.68 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.023 0.44 . . . . 75.319999999999993 111.971 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.98 147.56 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.921 0.391 . . . . 74.25 110.693 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -74.94 -19.99 59.88 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.093 0.775 . . . . 71.040000000000006 113.093 -176.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -163.84 165.63 22.7 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.96 0.409 . . . . 73.439999999999998 111.599 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.6 p -63.57 -26.9 68.9 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.058 0.392 . . . . 64.519999999999996 112.058 -176.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.18 -41.93 80.7 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.352 0.596 . . . . 71.030000000000001 109.666 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -57.98 -34.6 70.14 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.12 -0.946 . . . . 70.109999999999999 110.989 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.0 tp -71.38 -48.0 52.71 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.933 -0.576 . . . . 74.340000000000003 111.427 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.3 p -61.71 -29.49 70.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.999 0.428 . . . . 74.209999999999994 111.193 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.452 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 50.6 m -61.23 -47.9 83.94 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.151 0.5 . . . . 75.420000000000002 110.751 175.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.93 -36.73 75.25 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.068 -0.515 . . . . 75.319999999999993 111.499 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.407 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 62.6 mtt -55.13 -53.62 53.62 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.064 0.459 . . . . 64.140000000000001 110.922 175.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.66 -41.97 82.56 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.902 -0.59 . . . . 72.549999999999997 110.907 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HZ1' ' HB3' ' A' ' 65' ' ' LYS . 7.5 mtpm? -59.19 -40.02 84.39 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.138 -0.483 . . . . 75.540000000000006 111.444 177.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.9 mt -74.65 -29.44 61.26 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.262 0.554 . . . . 74.030000000000001 111.157 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 63' ' ' MET . 96.8 mtt180 -72.55 -6.52 44.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.011 -0.54 . . . . 74.129999999999995 111.997 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -71.97 -8.81 56.63 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.775 0.321 . . . . 74.239999999999995 111.152 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.5 t -93.68 111.19 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-O 120.987 0.422 . . . . 74.010000000000005 110.869 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -57.69 -28.93 64.25 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.69 0.626 . . . . 73.150000000000006 112.69 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.68 -16.09 73.91 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 121.183 -0.532 . . . . 65.439999999999998 113.87 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.3 t -93.1 134.27 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 117.405 0.603 . . . . 74.329999999999998 111.478 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.9 -13.8 11.94 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.366 0.506 . . . . 72.25 112.366 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.572 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -134.26 125.98 28.85 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.07 0.462 . . . . 71.209999999999994 111.424 174.592 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.0 t -130.89 104.02 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 108.925 -0.768 . . . . 75.209999999999994 108.925 170.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -124.93 156.7 37.58 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.019 -0.537 . . . . 75.319999999999993 112.298 -166.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -86.48 139.63 30.71 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.202 0.525 . . . . 75.239999999999995 111.445 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 9' ' ' ARG . 94.9 mt -89.57 108.23 19.54 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.891 -0.595 . . . . 74.540000000000006 110.233 173.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.3 p -75.51 -63.48 1.28 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.312 0.486 . . . . 73.239999999999995 112.312 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.68 119.25 25.03 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.984 0.421 . . . . 72.140000000000001 111.727 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.86 -167.67 1.3 Allowed 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.279 -0.419 . . . . 74.200000000000003 111.185 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -147.62 21.5 1.16 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.926 0.393 . . . . 74.329999999999998 111.77 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -81.75 156.94 24.71 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.999 -0.438 . . . . 75.519999999999996 111.711 -173.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 61.48 24.19 14.33 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.347 -0.388 . . . . 74.409999999999997 111.419 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -74.49 29.83 0.08 Allowed 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.081 0.771 . . . . 75.430000000000007 113.081 -174.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -111.6 101.4 9.8 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.263 0.554 . . . . 74.200000000000003 110.897 177.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -66.31 128.16 35.07 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.183 -0.462 . . . . 75.109999999999999 111.023 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 44.0 m80 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.711 -0.662 . . . . 74.420000000000002 111.923 -179.294 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 120.769 0.319 . . . . 74.239999999999995 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 20.3 m -69.87 -8.94 52.74 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.517 0.932 . . . . 73.010000000000005 113.517 -172.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.567 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 11.7 t70 -56.9 140.79 47.29 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 122.056 -0.403 . . . . 63.409999999999997 111.543 -177.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -150.31 161.03 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.033 0.444 . . . . 75.239999999999995 111.412 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 48.5 tp -81.06 103.46 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.219 0.533 . . . . 74.409999999999997 110.79 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.422 ' HB2' HD21 ' B' ' 59' ' ' LEU . . . -96.49 152.18 18.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.817 -0.629 . . . . 73.200000000000003 112.209 -177.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.53 144.8 15.34 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 116.155 -0.475 . . . . 41.32 113.163 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 51.3 mt -133.59 143.41 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 122.864 0.466 . . . . 73.340000000000003 110.471 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.504 ' HB2' HD23 ' B' ' 78' ' ' LEU . 40.1 ttt180 -118.11 131.91 56.39 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.988 -0.445 . . . . 65.340000000000003 111.172 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.451 HD12 HD12 ' B' ' 66' ' ' LEU . 37.1 mt -119.46 117.33 53.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.001 -0.545 . . . . 73.420000000000002 110.856 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.611 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 60.3 t -121.83 118.65 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.593 0.711 . . . . 73.319999999999993 111.119 176.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.0 169.65 26.13 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-N 115.213 -0.903 . . . . 71.430000000000007 112.055 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -64.42 132.57 50.43 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.139 0.495 . . . . 75.540000000000006 111.625 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -71.9 89.67 1.09 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.354 0.597 . . . . 75.030000000000001 111.221 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -105.09 164.03 12.12 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.408 0.623 . . . . 71.319999999999993 112.156 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -64.68 5.42 0.3 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.175 -0.92 . . . . 74.420000000000002 113.374 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.3 -7.65 0.47 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 120.745 -0.74 . . . . 74.140000000000001 113.839 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.481 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 60.9 mmm -70.75 -52.26 21.9 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.466 0.913 . . . . 73.219999999999999 113.466 -173.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 75.8 p -61.7 -30.03 70.48 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.946 -0.471 . . . . 74.120000000000005 111.63 -178.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -76.49 -47.97 21.07 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.964 0.412 . . . . 74.299999999999997 110.819 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.531 ' O ' HG21 ' B' ' 25' ' ' VAL . 9.9 pt20 -66.45 -36.08 81.88 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.347 -0.388 . . . . 71.420000000000002 111.684 -177.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' B' ' 22' ' ' ILE . 12.0 mm -63.2 -53.61 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 112.398 0.518 . . . . 71.239999999999995 112.398 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 5.1 m -68.38 -27.31 66.12 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.218 0.532 . . . . 74.349999999999994 110.021 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.74 -46.34 94.4 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-N 116.051 -0.522 . . . . 74.239999999999995 112.589 171.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.531 HG21 ' O ' ' B' ' 21' ' ' GLN . 77.2 t -57.69 -45.65 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.252 0.548 . . . . 75.0 110.677 174.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.408 HG22 HD13 ' B' ' 49' ' ' LEU . 79.8 mt -60.08 -47.32 92.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-N 115.728 -0.669 . . . . 75.099999999999994 111.921 177.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' SER . . . . . 0.5 ' HA ' HD12 ' B' ' 33' ' ' ILE . 94.2 p -62.83 -24.48 67.8 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.233 0.457 . . . . 72.010000000000005 112.233 -176.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.54 14.77 25.38 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.365 0.505 . . . . 73.200000000000003 112.365 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -68.34 165.99 17.52 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.458 0.647 . . . . 75.540000000000006 111.465 173.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -92.96 7.85 42.3 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.552 -0.749 . . . . 74.340000000000003 111.703 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 t -111.22 159.8 17.56 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.895 0.379 . . . . 74.430000000000007 111.277 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . 0.419 ' O ' HG21 ' B' ' 51' ' ' ILE . 26.2 t-20 -86.85 120.77 28.49 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.993 0.425 . . . . 71.340000000000003 111.847 -176.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' B' ' 27' ' ' SER . 67.7 mt -67.67 111.16 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 121.174 0.512 . . . . 74.439999999999998 111.537 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.486 HH12 ' CG ' ' A' ' 14' ' ' ASP . 8.1 tpp180 -92.25 -34.92 14.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.162 -0.472 . . . . 74.340000000000003 110.893 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.592 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 67.5 m -158.67 132.66 7.75 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.308 -0.406 . . . . 74.109999999999999 110.852 174.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.503 HD12 ' SG ' ' B' ' 47' ' ' CYS . 11.2 tp -130.82 136.97 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 120.926 0.393 . . . . 74.530000000000001 110.779 174.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 58.5 t -133.18 140.42 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 116.283 -0.417 . . . . 74.409999999999997 110.381 176.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 35' ' ' THR . 9.9 tt -144.85 134.43 23.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 122.156 -0.34 . . . . 73.319999999999993 110.459 174.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -148.85 135.25 19.43 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.862 0.363 . . . . 70.140000000000001 111.242 172.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -99.68 123.88 44.37 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.3 -0.409 . . . . 75.239999999999995 111.427 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -141.58 144.59 34.32 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.065 -0.516 . . . . 73.129999999999995 111.138 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 63.24 13.85 7.28 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.499 0.555 . . . . 73.0 112.499 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.44 -2.62 65.3 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 121.061 -0.59 . . . . 73.310000000000002 112.644 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mt -116.97 178.63 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 123.437 0.695 . . . . 55.539999999999999 109.225 178.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 32.4 p90 -137.44 161.37 36.52 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.854 -0.529 . . . . 74.349999999999994 111.244 170.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 t -134.85 115.01 13.16 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.023 0.44 . . . . 75.439999999999998 111.088 174.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.503 ' SG ' HD12 ' B' ' 36' ' ' ILE . 46.3 t -108.11 120.14 41.48 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.286 -0.415 . . . . 75.25 111.29 178.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -103.0 111.63 24.06 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.773 0.321 . . . . 71.120000000000005 110.974 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.408 HD13 HG22 ' B' ' 26' ' ' ILE . 44.9 tp -99.06 132.53 44.3 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.053 0.454 . . . . 75.030000000000001 111.987 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.538 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 60.4 mmm -124.13 113.23 18.08 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.237 -0.438 . . . . 55.549999999999997 110.681 175.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.496 HG21 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -144.57 158.74 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.06 0.457 . . . . 72.450000000000003 111.755 -177.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -91.54 140.28 29.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.913 0.387 . . . . 75.109999999999999 111.57 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 8.9 m -139.66 140.89 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.489 -0.323 . . . . 74.099999999999994 110.258 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.769 ' HB2' ' HZ2' ' B' ' 54' ' ' LYS . 4.7 ttmp? -71.02 -36.25 72.34 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 111.994 0.368 . . . . 75.150000000000006 111.994 178.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.468 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 40.0 m-80 -135.44 151.31 50.29 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.527 -0.306 . . . . 64.030000000000001 111.273 -177.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 64.9 p -61.08 -30.18 70.19 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.777 0.323 . . . . 74.150000000000006 111.353 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -62.01 -40.49 95.86 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.616 0.722 . . . . 72.209999999999994 110.183 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 45.3 tptt -58.04 -40.5 81.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.287 -0.869 . . . . 74.310000000000002 110.843 174.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.602 ' HG ' ' HE2' ' B' ' 63' ' ' MET . 60.4 tp -68.37 -48.13 65.58 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.13 -0.486 . . . . 74.209999999999994 111.663 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 69.5 p -62.51 -34.96 77.92 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.053 0.454 . . . . 71.340000000000003 111.269 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 72.0 m -59.53 -40.72 88.1 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.239 -0.437 . . . . 63.219999999999999 111.279 175.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.09 -41.47 96.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.702 0.287 . . . . 73.230000000000004 111.306 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.602 ' HE2' ' HG ' ' B' ' 59' ' ' LEU . 50.5 mtt -55.67 -48.33 75.24 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.191 0.52 . . . . 72.420000000000002 110.275 175.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.9 -46.26 78.43 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.628 -0.715 . . . . 71.430000000000007 111.033 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' B' ' 61' ' ' THR . 52.9 mtpt -58.24 -37.54 75.1 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.22 -0.446 . . . . 72.120000000000005 111.749 178.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.451 HD12 HD12 ' B' ' 10' ' ' ILE . 59.0 mt -76.05 -33.23 59.59 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.143 0.497 . . . . 73.340000000000003 111.785 178.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' B' ' 63' ' ' MET . 86.9 mtt180 -67.69 -8.16 32.9 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.651 0.612 . . . . 74.040000000000006 112.651 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -71.93 -13.7 61.72 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 111.808 0.299 . . . . 75.129999999999995 111.808 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.0 t -86.98 117.26 30.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-O 120.99 0.424 . . . . 72.340000000000003 111.823 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.94 -23.0 63.19 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.93 0.715 . . . . 74.329999999999998 112.93 -177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.481 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -76.68 -16.95 80.33 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 120.957 -0.64 . . . . 74.439999999999998 113.695 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.42 141.85 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 117.227 0.514 . . . . 74.530000000000001 111.834 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.4 -6.96 6.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.578 0.584 . . . . 73.530000000000001 112.578 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.611 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.6 p -136.0 118.41 15.74 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.902 0.382 . . . . 71.209999999999994 111.588 175.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.0 t -135.45 105.37 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.717 -0.475 . . . . 74.340000000000003 109.717 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -142.09 171.89 13.44 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.131 0.491 . . . . 71.409999999999997 111.897 -173.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -85.31 147.32 26.6 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.383 0.611 . . . . 75.310000000000002 112.132 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.504 HD23 ' HB2' ' B' ' 9' ' ' ARG . 96.0 mt -93.19 109.81 21.32 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.857 -0.61 . . . . 75.219999999999999 110.268 173.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 83.9 p -71.82 -68.78 0.43 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.488 0.551 . . . . 72.109999999999999 112.488 -174.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -88.67 106.63 18.46 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.011 0.434 . . . . 74.310000000000002 111.486 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 51.6 mt -84.08 151.36 24.99 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.083 0.468 . . . . 73.120000000000005 111.577 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -104.31 23.6 12.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.124 0.488 . . . . 61.530000000000001 111.182 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.421 ' HE2' ' HG3' ' B' ' 50' ' ' MET . 21.7 m-70 -77.52 -19.05 56.41 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.465 -0.334 . . . . 74.409999999999997 111.521 -177.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -71.69 119.19 15.5 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.827 0.346 . . . . 72.450000000000003 110.45 174.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -79.62 128.01 32.87 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.958 0.408 . . . . 72.340000000000003 111.78 -176.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -96.05 100.71 12.34 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.251 0.548 . . . . 62.109999999999999 111.095 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -174.97 152.25 1.47 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.979 -0.555 . . . . 64.400000000000006 110.873 -177.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.919 -0.562 . . . . 75.140000000000001 111.306 178.4 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mmt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 110.48 -0.193 . . . . 70.340000000000003 110.48 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.2 m -77.32 80.79 3.82 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.129 0.49 . . . . 73.530000000000001 109.983 171.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.443 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 4.2 m-20 -79.67 116.16 19.69 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.356 -0.384 . . . . 74.310000000000002 110.083 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -121.81 161.95 21.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.382 0.61 . . . . 74.129999999999995 111.214 -175.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -82.03 102.61 11.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.737 -0.665 . . . . 74.040000000000006 110.234 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.405 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -94.17 134.73 36.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.915 -0.584 . . . . 71.540000000000006 112.007 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.13 145.48 16.6 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.19 -0.529 . . . . 75.349999999999994 112.607 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.422 HG23 ' HG2' ' A' ' 63' ' ' MET . 27.9 mt -130.51 136.99 57.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 122.529 -0.395 . . . . 73.329999999999998 110.539 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HB2' HD22 ' A' ' 78' ' ' LEU . 66.4 ttt180 -113.86 117.98 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 72.230000000000004 110.93 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.648 HD12 HD11 ' A' ' 66' ' ' LEU . 33.5 mt -109.65 117.03 53.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.472 . . . . 62.520000000000003 110.618 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.623 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 49.3 t -117.5 105.87 18.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.717 0.77 . . . . 74.120000000000005 111.011 174.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.08 162.37 21.87 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.1 -0.955 . . . . 74.219999999999999 112.175 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -76.97 126.78 31.54 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.393 0.616 . . . . 72.319999999999993 112.062 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -69.32 105.43 2.55 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.905 -0.589 . . . . 62.32 111.561 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -165.8 137.51 3.91 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.228 0.455 . . . . 73.439999999999998 112.228 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 59.69 14.69 4.2 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.973 1.101 . . . . 65.230000000000004 113.973 171.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.613 ' HA2' ' ND2' ' B' ' 32' ' ' ASN . . . 100.32 21.79 12.65 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.453 -0.88 . . . . 51.130000000000003 113.828 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.459 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 36.8 mmm -53.9 -48.76 69.81 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.901 0.382 . . . . 75.019999999999996 112.029 176.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.1 p -54.0 -41.78 68.32 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.119 0.485 . . . . 65.129999999999995 111.829 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.44 ' OD1' ' HA ' ' B' ' 27' ' ' SER . 56.5 t30 -76.56 -42.35 43.18 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.029 -0.532 . . . . 73.120000000000005 110.963 -175.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.469 ' O ' HG21 ' A' ' 25' ' ' VAL . 8.2 pt20 -66.79 -33.86 76.55 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.885 0.374 . . . . 74.430000000000007 111.242 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 22' ' ' ILE . 7.1 mm -61.59 -53.01 54.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 112.183 0.438 . . . . 54.340000000000003 112.183 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 m -70.01 -27.56 64.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.328 0.585 . . . . 73.099999999999994 110.107 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.12 -33.78 81.11 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 115.879 -0.6 . . . . 74.019999999999996 112.546 170.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 21' ' ' GLN . 92.0 t -74.56 -35.53 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 121.012 0.435 . . . . 73.420000000000002 110.955 174.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.401 HG22 HD11 ' A' ' 33' ' ' ILE . 70.0 mt -61.41 -36.56 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 CA-C-O 120.996 0.427 . . . . 73.310000000000002 111.466 176.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.2 p -63.77 -20.6 65.89 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 122.123 -0.361 . . . . 72.409999999999997 111.651 176.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.521 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 11.5 mmpt? -71.65 -8.33 53.45 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 111.807 0.299 . . . . 75.219999999999999 111.807 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -74.83 159.97 31.26 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.737 1.014 . . . . 73.010000000000005 113.737 -172.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -85.8 -10.43 55.48 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.739 -1.119 . . . . 70.219999999999999 111.197 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 t -100.97 173.47 6.47 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.937 0.399 . . . . 75.439999999999998 111.781 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -106.1 121.48 44.24 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.789 0.328 . . . . 73.340000000000003 111.761 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.401 HD11 HG22 ' A' ' 26' ' ' ILE . 59.8 mt -68.56 105.28 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 116.32 -0.4 . . . . 75.030000000000001 111.39 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.96 -21.03 25.1 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.844 -0.535 . . . . 74.200000000000003 110.968 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 90.5 m -158.07 131.91 7.9 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.009 -0.542 . . . . 72.340000000000003 110.839 175.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.66 HD12 ' SG ' ' A' ' 47' ' ' CYS . 10.8 tp -135.02 133.83 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.945 0.402 . . . . 75.510000000000005 110.303 173.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.521 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 95.7 t -127.82 136.43 60.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 116.081 -0.509 . . . . 72.530000000000001 110.261 176.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.609 ' HB3' HG23 ' B' ' 36' ' ' ILE . 8.2 tt -143.94 122.51 12.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.845 0.355 . . . . 72.430000000000007 110.092 175.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 4.1 p-10 -144.7 124.99 13.76 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.93 -0.577 . . . . 73.510000000000005 110.931 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.42 113.25 25.85 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.15 0.5 . . . . 74.209999999999994 112.164 -177.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -138.49 157.01 47.01 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.791 -0.64 . . . . 74.319999999999993 109.459 175.312 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.415 ' OD2' ' HG2' ' A' ' 41' ' ' LYS . 21.8 m-20 65.31 14.78 9.65 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.097 0.475 . . . . 72.319999999999993 110.856 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.98 9.96 86.56 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 121.383 -0.437 . . . . 73.109999999999999 112.54 -173.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.3 mt -128.63 154.75 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 122.921 0.488 . . . . 73.510000000000005 110.447 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.458 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 49.5 p90 -119.61 144.67 47.0 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.784 -0.573 . . . . 74.140000000000001 111.352 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 t -116.08 99.62 7.37 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.038 0.447 . . . . 74.010000000000005 111.095 174.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.66 ' SG ' HD12 ' A' ' 36' ' ' ILE . 42.4 t -87.02 111.19 20.63 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.008 0.432 . . . . 73.519999999999996 111.285 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.521 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 14.5 m120 -97.8 106.97 19.36 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.094 -0.503 . . . . 72.349999999999994 111.112 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD23 HD11 ' A' ' 8' ' ' ILE . 62.3 tp -98.91 133.26 43.45 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.885 0.374 . . . . 75.040000000000006 111.776 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.536 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 66.6 mmm -123.0 112.07 17.36 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.903 0.383 . . . . 73.310000000000002 111.075 175.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.81 158.91 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 111.542 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -90.21 139.24 30.83 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.991 0.424 . . . . 73.439999999999998 111.505 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 30.8 m -131.82 147.27 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 120.981 0.42 . . . . 65.400000000000006 111.363 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.483 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.5 ptmt -85.21 -14.2 47.57 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.092 -0.504 . . . . 74.040000000000006 112.316 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.483 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.7 p30 -164.71 167.79 18.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.097 0.475 . . . . 74.239999999999995 111.655 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.4 p -67.33 -36.8 82.18 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.397 0.518 . . . . 75.430000000000007 112.397 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.03 -33.37 75.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.729 0.776 . . . . 74.510000000000005 110.296 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 49.7 tptt -59.47 -47.12 86.7 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.38 -0.827 . . . . 75.409999999999997 110.819 172.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 77' ' ' ARG . 54.7 tp -64.43 -47.93 77.23 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.038 -0.528 . . . . 64.349999999999994 111.693 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.7 p -61.5 -35.44 77.7 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 111.662 0.245 . . . . 74.109999999999999 111.662 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.9 m -63.24 -44.15 96.04 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.68 0.276 . . . . 72.430000000000007 111.127 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.8 mt -58.02 -46.18 85.71 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.937 0.399 . . . . 74.420000000000002 111.22 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.422 ' HG2' HG23 ' A' ' 8' ' ' ILE . 71.4 mtm -61.95 -33.54 74.47 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.387 -0.369 . . . . 74.519999999999996 111.48 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -69.1 -44.34 72.65 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.048 0.451 . . . . 75.310000000000002 110.551 174.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -54.55 -40.95 69.22 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.213 0.53 . . . . 75.040000000000006 111.327 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.648 HD11 HD12 ' A' ' 10' ' ' ILE . 59.4 mt -74.21 -33.25 63.32 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.883 -0.599 . . . . 73.299999999999997 111.535 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 67' ' ' ARG . 44.0 ttm105 -71.91 -6.44 41.94 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.966 -0.561 . . . . 71.040000000000006 111.972 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -70.82 -16.61 62.74 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 122.096 -0.377 . . . . 71.450000000000003 111.441 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.9 t -78.49 116.99 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.12 0.486 . . . . 74.010000000000005 111.47 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -57.45 -26.75 61.67 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.921 0.711 . . . . 73.430000000000007 112.921 -176.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.02 -11.35 85.27 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.864 -0.684 . . . . 72.439999999999998 113.442 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.4 t -93.14 144.11 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 O-C-N 122.199 -0.589 . . . . 75.25 111.178 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -128.43 -8.02 5.22 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 112.031 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.623 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.2 p -139.11 126.38 21.43 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.061 0.458 . . . . 73.340000000000003 111.335 173.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 t -136.32 103.47 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.945 -0.761 . . . . 73.400000000000006 108.945 171.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -124.41 154.38 40.51 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.491 0.552 . . . . 74.430000000000007 112.491 -169.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.408 ' HG3' HD22 ' A' ' 59' ' ' LEU . 52.4 ttp85 -82.14 131.76 35.24 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.773 -0.649 . . . . 75.299999999999997 111.671 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.404 HD22 ' HB2' ' A' ' 9' ' ' ARG . 98.5 mt -95.58 105.37 17.35 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.972 0.415 . . . . 74.040000000000006 111.269 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.5 p -89.97 -38.73 13.44 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.033 0.444 . . . . 74.25 110.823 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -76.69 100.77 5.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.083 -0.508 . . . . 71.5 111.244 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.4 mt -106.7 155.45 19.66 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.3 0.571 . . . . 72.510000000000005 111.951 -177.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -120.76 29.3 7.47 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.696 -0.684 . . . . 72.439999999999998 111.712 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -80.88 77.96 7.72 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.105 0.479 . . . . 75.209999999999994 112.202 -175.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -107.06 116.91 32.75 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.025 0.441 . . . . 62.310000000000002 111.123 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -125.51 -54.27 1.56 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.555 -0.293 . . . . 74.099999999999994 111.652 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 57.71 23.79 9.9 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.08 0.467 . . . . 72.420000000000002 111.247 -177.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -77.02 81.47 3.54 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.157 -0.474 . . . . 75.0 111.985 -171.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.1 m80 . . . . . 0 C--O 1.252 1.216 0 CA-C-N 116.127 -0.488 . . . . 74.049999999999997 111.047 175.02 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.726 0.298 . . . . 75.409999999999997 110.824 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 4.6 t -151.04 132.55 14.73 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.888 0.375 . . . . 62.140000000000001 112.005 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -80.27 158.34 26.19 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.265 -0.425 . . . . 73.400000000000006 111.622 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -151.06 154.55 37.22 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.042 0.449 . . . . 74.319999999999993 111.301 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.6 tp -79.07 103.14 8.81 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.968 -0.56 . . . . 75.109999999999999 110.535 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.492 ' HB2' HD22 ' B' ' 59' ' ' LEU . . . -96.27 133.22 40.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 64.319999999999993 112.136 -176.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.46 150.48 17.63 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.198 -0.525 . . . . 75.109999999999999 113.354 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 53.8 mt -135.78 128.24 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 122.563 0.345 . . . . 74.409999999999997 110.424 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.521 ' HB2' HD23 ' B' ' 78' ' ' LEU . 66.7 ttt180 -100.78 136.95 39.83 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.894 -0.504 . . . . 74.340000000000003 111.331 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.606 HD13 HD13 ' B' ' 66' ' ' LEU . 62.7 mt -126.05 117.96 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.862 -0.608 . . . . 74.030000000000001 110.973 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.637 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 43.1 t -118.02 112.96 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 121.591 0.71 . . . . 72.409999999999997 110.919 172.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.04 165.34 25.16 Favored Glycine 0 CA--C 1.522 0.478 0 CA-C-N 115.512 -0.767 . . . . 73.209999999999994 112.553 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -67.66 126.97 31.05 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.313 0.577 . . . . 72.530000000000001 111.828 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.95 94.39 0.63 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.201 0.524 . . . . 71.329999999999998 110.983 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -118.78 175.14 5.88 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.792 1.034 . . . . 75.219999999999999 113.792 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 67.31 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 113.188 -1.823 . . . . 72.219999999999999 113.361 175.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.39 -15.28 8.68 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.029 -0.605 . . . . 71.310000000000002 114.442 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.415 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 36.8 mmm -53.94 -50.67 65.92 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 117.601 0.701 . . . . 74.549999999999997 112.737 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.9 p -58.59 -36.54 74.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.257 0.551 . . . . 74.019999999999996 111.377 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -73.67 -40.76 63.45 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.904 -0.589 . . . . 75.340000000000003 110.868 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.479 ' O ' HG23 ' B' ' 25' ' ' VAL . 9.9 pt20 -73.82 -35.58 64.86 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.1 -0.5 . . . . 74.430000000000007 111.395 -178.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.417 HG13 ' HZ ' ' B' ' 45' ' ' PHE . 12.4 mm -62.08 -54.29 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 112.256 0.465 . . . . 73.25 112.256 -177.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -67.64 -27.33 66.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.47 0.652 . . . . 73.239999999999995 110.006 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.54 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -62.07 -48.51 82.68 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.752 -0.658 . . . . 71.329999999999998 112.591 172.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 21' ' ' GLN . 90.7 t -61.05 -37.59 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.889 0.376 . . . . 63.119999999999997 111.113 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.457 HG23 HD12 ' B' ' 49' ' ' LEU . 73.3 mt -58.24 -41.63 81.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-O 121.079 0.466 . . . . 74.319999999999993 111.34 175.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' SER . . . . . 0.44 ' HA ' ' OD1' ' A' ' 20' ' ' ASN . 6.2 m -59.89 -23.89 63.84 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.33 0.586 . . . . 65.430000000000007 111.233 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 43.1 mtpt -87.23 20.62 2.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.75 -0.659 . . . . 72.439999999999998 111.641 -175.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -92.64 164.76 13.28 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.411 0.624 . . . . 72.209999999999994 111.782 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.38 -23.97 54.13 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.597 -0.729 . . . . 74.140000000000001 111.345 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.1 t -91.28 178.71 5.9 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.653 -0.703 . . . . 73.150000000000006 112.457 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . 0.613 ' ND2' ' HA2' ' A' ' 17' ' ' GLY . 28.5 t-20 -106.39 125.21 50.72 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.256 -0.429 . . . . 74.239999999999995 111.476 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.443 ' HA ' HG22 ' B' ' 51' ' ' ILE . 62.1 mt -66.89 103.73 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 116.341 -0.39 . . . . 73.129999999999995 111.382 177.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -82.35 -32.57 29.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 72.510000000000005 110.603 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.595 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 69.7 m -153.89 132.48 12.17 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.951 -0.568 . . . . 64.439999999999998 110.987 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.609 HG23 ' HB3' ' A' ' 38' ' ' LEU . 10.7 tp -135.7 137.7 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 120.996 0.427 . . . . 75.230000000000004 110.822 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.477 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 84.7 t -133.35 141.57 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.141 -0.482 . . . . 65.200000000000003 110.611 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 35' ' ' THR . 7.7 tt -145.4 131.87 19.74 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 122.109 -0.369 . . . . 72.299999999999997 110.194 174.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -149.61 148.9 29.88 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 120.838 0.351 . . . . 73.200000000000003 111.056 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.31 138.43 43.52 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.129 0.49 . . . . 73.040000000000006 110.434 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -126.9 -93.13 0.48 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.018 -0.537 . . . . 74.310000000000002 112.356 -170.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.55 44.68 0.99 Allowed 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 122.783 0.433 . . . . 72.349999999999994 111.501 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.64 18.58 77.34 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.58 -0.819 . . . . 73.439999999999998 111.422 -170.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.1 mt -135.31 147.78 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 123.642 0.777 . . . . 74.109999999999999 109.484 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 44.4 p90 -112.02 137.06 50.57 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.655 -0.418 . . . . 75.519999999999996 111.037 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.3 t -111.3 100.24 8.89 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.368 0.604 . . . . 75.120000000000005 111.341 174.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.521 ' SG ' HD13 ' B' ' 36' ' ' ILE . 48.4 t -91.11 131.34 36.74 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.077 -0.511 . . . . 74.329999999999998 111.907 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.477 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 16.2 m120 -111.7 110.73 21.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 122.495 0.318 . . . . 75.319999999999993 110.888 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.457 HD12 HG23 ' B' ' 26' ' ' ILE . 46.5 tp -99.11 137.29 37.85 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.883 0.373 . . . . 73.409999999999997 111.875 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.517 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.3 mmm -131.67 112.3 12.44 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.254 -0.43 . . . . 75.340000000000003 111.275 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.443 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -138.76 160.77 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.349 -0.387 . . . . 72.030000000000001 111.612 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -93.56 137.47 32.81 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.977 0.417 . . . . 74.420000000000002 111.912 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.9 m -131.95 163.43 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 116.178 -0.464 . . . . 73.140000000000001 110.904 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -93.29 -16.89 24.24 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 111.765 0.284 . . . . 75.129999999999995 111.765 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -161.46 172.86 15.75 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.101 0.477 . . . . 72.400000000000006 111.811 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -74.61 -30.53 61.7 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.085 -0.507 . . . . 74.319999999999993 112.331 -177.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -63.58 -39.9 95.59 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.964 0.887 . . . . 63.520000000000003 109.76 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -59.88 -35.56 75.08 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.583 -1.189 . . . . 63.32 111.423 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.589 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 57.4 tp -76.67 -47.44 22.09 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.287 -0.415 . . . . 75.099999999999994 111.653 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 73.1 p -59.48 -32.12 69.97 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.935 0.398 . . . . 74.030000000000001 111.594 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 70.2 m -64.25 -42.42 96.51 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.256 -0.429 . . . . 75.200000000000003 111.747 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 64.7 mt -62.1 -37.32 84.66 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.69 0.281 . . . . 74.129999999999995 111.109 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.589 ' HE3' ' HG ' ' B' ' 59' ' ' LEU . 56.2 mtt -55.78 -50.93 69.11 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.104 0.478 . . . . 72.109999999999999 110.632 175.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.37 -43.2 96.81 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.784 -0.644 . . . . 60.130000000000003 111.008 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -56.54 -40.7 75.54 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.082 0.468 . . . . 74.5 111.551 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.606 HD13 HD13 ' B' ' 10' ' ' ILE . 65.9 mt -74.01 -35.02 64.37 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.163 -0.471 . . . . 73.230000000000004 111.747 178.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . 0.408 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 95.2 mtt180 -68.71 -7.79 36.72 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.802 0.667 . . . . 73.510000000000005 112.802 -179.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -72.61 -13.3 61.35 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.102 -0.374 . . . . 73.420000000000002 111.467 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 40.8 t -86.44 108.54 17.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.301 0.572 . . . . 75.140000000000001 111.336 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -34.43 9.14 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.311 -0.859 . . . . 74.120000000000005 113.082 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.5 -20.52 73.77 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.134 -0.555 . . . . 74.400000000000006 113.927 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . 0.434 HG11 HG21 ' B' ' 10' ' ' ILE . 93.5 t -99.29 134.09 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 122.358 -0.495 . . . . 74.430000000000007 111.484 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -117.06 -7.62 11.3 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.709 0.633 . . . . 74.230000000000004 112.709 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.637 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 8.8 p -136.31 121.46 19.03 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.95 0.405 . . . . 64.349999999999994 111.572 175.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.408 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 43.6 t -135.39 104.64 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.558 -0.534 . . . . 72.530000000000001 109.558 171.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -128.71 168.82 15.26 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.179 0.514 . . . . 70.040000000000006 112.328 -170.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -86.71 139.57 30.63 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.042 -0.526 . . . . 74.219999999999999 112.315 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' B' ' 9' ' ' ARG . 96.2 mt -108.47 96.64 6.49 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.071 -0.513 . . . . 73.019999999999996 110.788 174.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 71.6 m -96.85 -22.01 17.16 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.005 0.431 . . . . 64.430000000000007 111.41 175.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -86.13 81.99 8.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.066 0.46 . . . . 74.310000000000002 110.286 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 63.9 mt -98.0 141.92 30.36 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.733 0.642 . . . . 72.409999999999997 112.733 -172.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.28 3.88 50.6 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.795 -0.639 . . . . 63.310000000000002 110.59 176.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -63.39 -13.56 40.97 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.651 -0.704 . . . . 74.010000000000005 111.278 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -85.75 87.58 7.42 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.855 -0.424 . . . . 74.129999999999995 109.855 172.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -71.2 74.54 0.69 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.554 0.692 . . . . 74.25 111.614 -177.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -82.0 56.91 3.29 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.958 -0.564 . . . . 73.329999999999998 111.591 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -153.92 147.5 25.14 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.432 -0.349 . . . . 74.310000000000002 110.959 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 72.7 t60 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.87 -0.586 . . . . 73.310000000000002 111.446 -177.704 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 tpp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 111.496 0.184 . . . . 75.299999999999997 111.496 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.2 m 75.6 -32.45 0.21 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.245 0.618 . . . . 74.310000000000002 112.094 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -71.77 164.61 25.67 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.197 0.523 . . . . 71.5 111.961 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -155.05 162.21 41.12 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.194 -0.457 . . . . 74.530000000000001 111.074 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.65 105.64 12.05 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.25 0.548 . . . . 74.340000000000003 110.713 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.56 149.44 24.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.817 -0.629 . . . . 65.340000000000003 111.898 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.42 148.07 16.73 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.334 -0.46 . . . . 75.219999999999999 113.117 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.3 mt -134.36 139.64 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.687 0.395 . . . . 71.150000000000006 110.422 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' HB3' ' HG3' ' A' ' 76' ' ' GLU . 35.3 ttm180 -117.42 120.9 39.56 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.278 0.561 . . . . 74.120000000000005 111.351 177.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.568 HD11 HD13 ' A' ' 66' ' ' LEU . 53.1 mt -110.77 118.9 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.605 -0.725 . . . . 75.230000000000004 111.588 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.593 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 74.8 t -125.17 121.23 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.458 0.647 . . . . 74.5 111.102 174.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.44 168.18 29.1 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 115.655 -0.702 . . . . 74.109999999999999 112.521 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.39 129.93 41.82 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.251 0.548 . . . . 72.430000000000007 111.37 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -74.62 103.15 4.81 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.161 -0.472 . . . . 74.200000000000003 111.516 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.506 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 10.1 mmmm -112.78 -177.89 3.26 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.971 0.891 . . . . 75.030000000000001 112.616 -177.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.412 ' O ' ' ND2' ' B' ' 32' ' ' ASN . 37.4 m-80 -50.14 -27.93 6.57 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.269 -1.332 . . . . 74.349999999999994 114.019 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.33 23.61 0.86 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 119.97 -1.11 . . . . 64.409999999999997 114.822 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.506 ' HG2' ' HB2' ' A' ' 15' ' ' LYS . 74.4 mmm -70.07 -51.34 32.72 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 117.715 0.757 . . . . 74.409999999999997 112.191 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.0 p -57.86 -37.24 73.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.938 0.399 . . . . 73.120000000000005 111.812 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -76.38 -46.86 25.44 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.241 -0.436 . . . . 75.209999999999994 110.743 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.484 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.1 pt20 -65.03 -36.14 83.42 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.708 0.29 . . . . 74.5 111.633 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.441 HD11 ' HA ' ' A' ' 22' ' ' ILE . 10.8 mm -64.48 -53.56 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.043 0.386 . . . . 73.120000000000005 112.043 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.8 m -68.99 -27.7 65.94 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.094 0.473 . . . . 71.030000000000001 110.39 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.02 -49.32 68.03 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 116.206 -0.452 . . . . 75.310000000000002 112.339 173.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 21' ' ' GLN . 77.1 t -56.8 -39.35 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.208 0.528 . . . . 74.010000000000005 110.682 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.456 HG22 HD13 ' A' ' 49' ' ' LEU . 73.4 mt -63.49 -46.21 95.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 115.905 -0.589 . . . . 73.310000000000002 111.705 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.0 p -65.86 -22.42 66.53 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 111.984 0.364 . . . . 72.219999999999999 111.984 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -97.4 24.02 6.98 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.909 0.385 . . . . 73.439999999999998 111.338 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -78.49 -174.58 3.88 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.494 0.664 . . . . 74.439999999999998 111.351 171.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -91.44 -40.83 11.2 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.368 -0.833 . . . . 72.25 111.727 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 t -76.85 173.45 11.7 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.029 -0.532 . . . . 63.119999999999997 112.332 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.516 ' OD1' ' HB2' ' B' ' 20' ' ' ASN . 62.0 t30 -110.13 142.52 41.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.136 0.493 . . . . 74.519999999999996 111.631 -176.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -75.08 115.48 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.775 -0.648 . . . . 74.219999999999999 112.199 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 12.4 mmt180 -92.04 -33.14 14.93 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.149 0.5 . . . . 75.5 110.885 174.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 12.3 m -157.39 144.48 18.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.938 -0.573 . . . . 75.319999999999993 109.937 175.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 17.8 tt -152.41 131.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.942 0.401 . . . . 74.010000000000005 111.08 171.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.543 HG23 HG13 ' B' ' 37' ' ' VAL . 93.7 t -131.06 106.18 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.128 -0.487 . . . . 73.230000000000004 111.197 -176.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.56 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.3 tt -118.64 121.81 41.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.59 -0.277 . . . . 71.409999999999997 110.973 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.01 141.85 31.45 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 120.874 0.368 . . . . 72.019999999999996 111.344 173.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.569 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -109.88 129.37 55.66 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.4 0.519 . . . . 75.049999999999997 112.4 -176.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.38 162.21 40.86 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.797 -0.638 . . . . 74.319999999999993 110.268 178.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 63.53 15.58 8.94 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.689 0.396 . . . . 60.549999999999997 111.695 -177.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.36 4.27 90.24 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.007 -0.615 . . . . 73.450000000000003 112.276 -174.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.44 170.68 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 109.538 -0.542 . . . . 75.219999999999999 109.538 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 21.4 p90 -131.94 150.74 52.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.1 -0.375 . . . . 75.549999999999997 110.676 172.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 3.8 t -132.71 121.53 23.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 74.420000000000002 111.251 176.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.8 t -119.8 119.76 34.53 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.107 -0.497 . . . . 74.519999999999996 111.48 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.424 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.9 m-20 -98.37 115.27 28.11 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 120.77 0.319 . . . . 61.240000000000002 110.848 176.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.456 HD13 HG22 ' A' ' 26' ' ' ILE . 50.1 tp -98.73 128.79 45.1 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.436 -0.347 . . . . 72.299999999999997 111.423 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.43 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 70.5 mmm -120.44 110.27 16.3 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.393 -0.367 . . . . 74.120000000000005 110.996 178.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 32' ' ' ASN . 2.3 pp -143.0 162.19 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 116.177 -0.465 . . . . 75.329999999999998 111.789 -175.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -90.79 136.94 32.74 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.747 0.308 . . . . 74.439999999999998 111.479 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 m -129.58 142.72 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 120.867 0.365 . . . . 70.450000000000003 111.533 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.613 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 18.5 ptpt -68.75 -20.84 64.39 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.632 0.604 . . . . 73.450000000000003 112.632 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.613 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.0 p30 -166.19 168.48 15.25 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.1 0.476 . . . . 75.230000000000004 111.907 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.2 p -63.61 -32.26 73.68 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.207 -0.451 . . . . 72.150000000000006 112.061 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HB3' ' OD1' ' A' ' 55' ' ' ASN . 21.4 t70 -65.04 -40.97 95.59 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.499 0.666 . . . . 71.549999999999997 109.806 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -60.02 -30.99 69.53 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.351 -0.84 . . . . 74.0 111.348 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.6 tp -76.47 -48.62 18.96 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.347 -0.388 . . . . 74.040000000000006 111.811 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.45 ' HA ' ' HG3' ' A' ' 63' ' ' MET . 5.1 t -68.3 -28.58 67.3 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.979 0.419 . . . . 64.310000000000002 111.65 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.8 m -59.0 -40.74 85.83 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.915 0.388 . . . . 74.519999999999996 110.997 172.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.79 -34.98 78.39 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.336 -0.227 . . . . 75.319999999999993 111.245 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.45 ' HG3' ' HA ' ' A' ' 60' ' ' THR . 50.7 mtt -54.25 -51.78 63.43 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.955 0.407 . . . . 73.120000000000005 110.3 175.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 33.1 t70 -52.29 -51.8 56.51 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.9 -0.591 . . . . 62.200000000000003 111.474 178.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -53.43 -37.32 62.46 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.757 -0.656 . . . . 74.319999999999993 111.82 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.568 HD13 HD11 ' A' ' 10' ' ' ILE . 52.4 mt -81.71 -28.38 33.47 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.049 0.452 . . . . 74.209999999999994 111.676 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 63' ' ' MET . 92.1 mtt180 -75.38 -7.47 54.12 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.419 -0.355 . . . . 75.230000000000004 111.752 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.676 ' HZ1' ' HB3' ' A' ' 68' ' ' LYS . 2.3 mmmp? -72.28 -8.13 53.19 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.81 0.338 . . . . 73.349999999999994 111.734 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.5 t -92.25 114.94 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 121.145 0.498 . . . . 74.310000000000002 111.393 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -56.0 -23.23 31.55 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.958 0.725 . . . . 75.329999999999998 112.958 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.88 -17.01 73.65 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 120.893 -0.67 . . . . 64.530000000000001 113.921 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.442 HG22 ' HE3' ' A' ' 18' ' ' MET . 57.9 t -96.33 126.3 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 117.674 0.737 . . . . 73.430000000000007 111.772 -178.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.27 -12.61 15.04 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.56 0.578 . . . . 72.400000000000006 112.56 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.593 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.8 p -131.72 117.94 19.29 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.324 0.583 . . . . 72.519999999999996 111.75 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.9 t -130.27 104.87 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.143 -0.688 . . . . 64.140000000000001 109.143 169.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.444 ' HG3' ' HB3' ' A' ' 9' ' ' ARG . 8.2 pt-20 -130.14 162.0 29.83 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.795 0.665 . . . . 72.349999999999994 112.795 -167.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -91.63 130.48 37.43 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.674 -0.693 . . . . 72.420000000000002 112.048 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.6 mt -96.15 107.66 20.01 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.266 -0.425 . . . . 74.310000000000002 111.332 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.6 t -87.69 -47.74 8.42 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.006 0.432 . . . . 64.340000000000003 110.785 176.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -75.34 124.96 28.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.42 -0.355 . . . . 73.319999999999993 110.244 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.441 ' HB3' ' HD2' ' A' ' 83' ' ' HIS . 71.1 mt -130.68 152.32 50.17 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.069 0.462 . . . . 74.540000000000006 110.775 -173.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.76 -0.43 38.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.372 0.606 . . . . 64.099999999999994 111.397 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.441 ' HD2' ' HB3' ' A' ' 81' ' ' LEU . 21.6 m-70 -73.11 -41.24 64.24 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.893 -0.594 . . . . 73.319999999999993 111.05 -176.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 85.3 t60 68.02 -16.29 0.19 Allowed 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.983 1.105 . . . . 71.239999999999995 113.983 171.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -68.48 102.56 1.47 Allowed 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.834 -0.541 . . . . 54.210000000000001 112.196 -176.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -69.83 178.31 2.69 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.712 -0.677 . . . . 74.349999999999994 109.673 172.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -49.53 -22.29 1.21 Allowed 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.994 -0.441 . . . . 73.120000000000005 111.849 174.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 . . . . . 0 C--O 1.254 1.294 0 CA-C-O 118.95 -0.547 . . . . 74.430000000000007 110.906 173.543 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.6 ttm . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 120.835 0.35 . . . . 74.109999999999999 111.166 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 59.4 m -99.54 151.84 20.69 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.88 0.371 . . . . 73.439999999999998 111.24 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -71.4 179.62 2.87 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 121.223 0.535 . . . . 73.209999999999994 112.264 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -154.75 163.68 39.9 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.35 -0.386 . . . . 73.030000000000001 111.081 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -86.09 108.48 18.3 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.913 0.387 . . . . 72.310000000000002 111.299 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.4 146.16 25.46 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.175 -0.466 . . . . 61.420000000000002 111.83 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.47 142.94 14.4 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 121.225 -0.512 . . . . 71.030000000000001 113.208 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mt -132.5 146.45 32.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 122.814 0.446 . . . . 74.140000000000001 110.458 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -126.83 130.68 50.72 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.177 -0.327 . . . . 73.129999999999995 110.877 173.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.561 ' O ' ' HA ' ' B' ' 46' ' ' THR . 25.9 mt -118.07 116.63 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 116.364 -0.38 . . . . 75.530000000000001 111.464 -177.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.598 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 87.0 t -117.43 113.43 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.637 0.732 . . . . 65.319999999999993 111.133 175.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.64 169.68 23.71 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 115.378 -0.828 . . . . 45.43 112.176 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -66.68 137.12 56.46 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.334 0.588 . . . . 63.210000000000001 111.824 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -74.09 93.4 2.27 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 110.749 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.61 ' HB2' ' HG3' ' B' ' 18' ' ' MET . 8.6 mmmm -97.1 -177.84 3.99 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.513 0.931 . . . . 74.109999999999999 113.513 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -31.37 -44.78 0.07 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 113.556 -1.656 . . . . 73.140000000000001 113.146 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.56 28.54 0.29 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 121.028 -0.606 . . . . 71.450000000000003 113.279 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.61 ' HG3' ' HB2' ' B' ' 15' ' ' LYS . 38.7 mtp -61.61 -43.98 97.84 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.396 -0.473 . . . . 71.349999999999994 112.249 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 47.2 p -55.64 -39.02 70.31 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.976 0.417 . . . . 73.219999999999999 111.896 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.516 ' HB2' ' OD1' ' A' ' 32' ' ' ASN . 36.0 t-20 -75.4 -47.06 29.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.934 0.397 . . . . 72.109999999999999 111.194 -178.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.538 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 8.5 pt20 -64.52 -38.72 92.0 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.576 -0.284 . . . . 75.140000000000001 111.391 -178.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.426 HD11 ' HA ' ' B' ' 22' ' ' ILE . 9.2 mm -56.89 -53.51 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.722 0.296 . . . . 65.140000000000001 111.704 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 9.4 m -72.26 -28.08 62.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.424 0.63 . . . . 65.230000000000004 110.428 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.27 -35.8 92.56 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 115.878 -0.601 . . . . 72.319999999999993 113.128 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.17 -35.63 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 122.397 -0.472 . . . . 74.150000000000006 111.039 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.461 HG23 HD11 ' B' ' 49' ' ' LEU . 62.3 mt -56.12 -42.72 73.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.906 0.384 . . . . 73.310000000000002 111.508 175.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 91.8 p -61.53 -21.11 63.97 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.882 0.372 . . . . 71.319999999999993 111.431 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -87.63 9.34 21.65 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.252 0.464 . . . . 75.409999999999997 112.252 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -78.4 174.99 10.7 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.644 0.735 . . . . 64.450000000000003 112.145 178.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.45 13.99 22.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.412 -0.813 . . . . 64.239999999999995 111.097 -177.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.475 HG22 HD11 ' B' ' 51' ' ' ILE . 4.6 t -135.24 169.42 17.5 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.966 0.413 . . . . 70.549999999999997 112.01 -174.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 16' ' ' ASN . 22.3 m120 -97.4 120.01 36.99 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.561 0.578 . . . . 75.230000000000004 112.561 -174.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 59.8 mt -63.51 95.98 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 115.88 -0.6 . . . . 74.329999999999998 111.359 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -77.5 -28.23 52.08 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.228 0.537 . . . . 75.349999999999994 111.306 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.522 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 69.3 m -156.43 132.16 9.6 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.859 -0.61 . . . . 73.230000000000004 110.447 175.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.756 HD13 ' SG ' ' B' ' 47' ' ' CYS . 10.6 tp -135.33 120.87 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 120.9 0.381 . . . . 75.540000000000006 110.321 175.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.543 HG13 HG23 ' A' ' 37' ' ' VAL . 67.7 t -127.9 103.29 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.063 0.459 . . . . 74.019999999999996 111.221 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 35' ' ' THR . 8.2 tt -110.8 119.44 39.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.462 -0.336 . . . . 74.420000000000002 110.149 177.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -123.22 128.14 49.59 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.094 0.473 . . . . 74.319999999999993 110.539 172.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -104.48 117.62 34.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 63.409999999999997 110.932 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.21 136.53 43.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.032 0.444 . . . . 72.230000000000004 111.343 -177.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 t70 38.63 69.54 0.26 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.23 1.012 . . . . 75.349999999999994 113.365 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.32 -4.7 24.64 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.048 0.779 . . . . 64.209999999999994 115.048 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.03 169.3 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 118.065 0.932 . . . . 62.450000000000003 111.002 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.54 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 45.0 p90 -140.06 163.08 33.65 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.794 0.33 . . . . 75.420000000000002 111.087 173.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.561 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.7 t -137.23 117.14 13.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.932 0.396 . . . . 73.319999999999993 111.136 171.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.756 ' SG ' HD13 ' B' ' 36' ' ' ILE . 43.4 t -100.83 113.24 25.99 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.035 -0.53 . . . . 63.240000000000002 111.036 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -97.6 107.63 20.17 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.383 -0.371 . . . . 75.219999999999999 111.135 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.461 HD11 HG23 ' B' ' 26' ' ' ILE . 52.5 tp -98.67 133.1 43.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.994 0.425 . . . . 71.200000000000003 112.042 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.522 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.4 mmm -125.73 111.41 14.89 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.425 -0.352 . . . . 65.340000000000003 110.975 175.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.475 HD11 HG22 ' B' ' 31' ' ' THR . 2.6 pp -140.34 159.09 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 120.832 0.349 . . . . 74.549999999999997 111.793 -176.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -90.2 137.57 32.24 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.881 0.372 . . . . 70.329999999999998 111.567 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 11.8 m -131.32 148.44 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 116.134 -0.484 . . . . 72.519999999999996 111.015 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.408 ' H ' ' HD2' ' B' ' 54' ' ' LYS . 0.0 OUTLIER -80.51 -23.18 40.26 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.439 0.638 . . . . 71.299999999999997 110.559 177.576 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -154.17 164.09 39.07 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.417 -0.81 . . . . 72.099999999999994 111.305 -173.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -72.55 -28.34 62.77 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.057 0.392 . . . . 73.219999999999999 112.057 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.48 -42.27 82.3 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.159 0.504 . . . . 64.239999999999995 110.764 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.31 -50.8 70.4 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.977 -0.556 . . . . 70.230000000000004 110.714 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 49.6 tp -58.94 -46.85 87.0 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.94 -0.573 . . . . 74.439999999999998 111.643 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 51.2 p -66.68 -27.63 67.81 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.127 0.417 . . . . 74.299999999999997 112.127 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 88.3 m -73.16 -41.4 63.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.873 0.368 . . . . 73.109999999999999 110.861 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 86.5 mt -58.28 -36.56 73.49 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.848 0.356 . . . . 72.409999999999997 111.333 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.456 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 65.6 mtt -52.29 -53.67 41.2 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.189 -0.46 . . . . 73.109999999999999 110.86 175.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -54.99 -51.85 64.93 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.142 -0.481 . . . . 70.129999999999995 110.989 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -51.74 -34.42 39.07 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.164 -0.471 . . . . 72.129999999999995 111.761 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.497 HD11 HD12 ' B' ' 10' ' ' ILE . 44.2 mt -82.84 -30.0 29.01 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.133 0.492 . . . . 74.049999999999997 111.644 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' B' ' 63' ' ' MET . 97.1 mtt180 -76.45 -7.06 54.3 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.411 0.523 . . . . 74.040000000000006 112.411 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -70.48 -19.22 62.96 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.757 0.313 . . . . 75.209999999999994 110.84 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.7 t -81.92 107.77 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-O 120.95 0.405 . . . . 72.140000000000001 110.11 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -63.29 -13.21 35.9 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.558 0.577 . . . . 70.519999999999996 112.558 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.99 -22.83 70.58 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.361 -0.447 . . . . 32.310000000000002 113.373 175.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -86.34 137.85 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 122.328 -0.513 . . . . 70.349999999999994 110.93 177.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.5 -20.54 11.24 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.477 0.547 . . . . 75.319999999999993 112.477 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.598 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.8 p -129.76 124.25 32.99 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.175 0.512 . . . . 74.450000000000003 112.021 178.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.429 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 47.9 t -135.35 104.26 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 109.138 -0.69 . . . . 72.129999999999995 109.138 171.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -123.27 164.52 18.61 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.935 0.717 . . . . 75.209999999999994 112.935 -168.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -94.53 126.32 39.74 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.696 -0.684 . . . . 62.530000000000001 111.24 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.29 115.37 22.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.818 0.342 . . . . 74.310000000000002 111.283 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 43.3 t -86.1 -62.99 1.39 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.024 0.44 . . . . 65.349999999999994 111.396 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -73.82 105.9 5.31 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.947 0.403 . . . . 75.540000000000006 110.594 177.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 49.8 mt -94.9 139.8 30.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.295 0.569 . . . . 73.409999999999997 112.025 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -84.45 25.64 0.86 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.731 0.777 . . . . 75.129999999999995 110.678 178.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.452 ' HE2' ' HG3' ' B' ' 50' ' ' MET . 23.8 m-70 -100.27 -16.78 17.6 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.247 -0.888 . . . . 71.400000000000006 111.264 -178.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -154.63 134.04 12.63 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.221 -0.445 . . . . 74.200000000000003 111.31 -176.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -87.96 -36.79 16.88 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.216 0.532 . . . . 75.230000000000004 110.258 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -159.26 149.02 18.77 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.836 -0.62 . . . . 74.329999999999998 110.994 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -55.26 146.29 19.49 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.862 0.319 . . . . 74.010000000000005 111.862 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 . . . . . 0 C--O 1.252 1.212 0 CA-C-O 118.981 -0.533 . . . . 73.150000000000006 112.083 177.643 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 120.813 0.34 . . . . 74.140000000000001 110.827 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -110.26 162.3 14.76 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.291 0.567 . . . . 64.109999999999999 112.02 -178.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -139.06 -179.97 6.16 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.707 -0.679 . . . . 74.439999999999998 110.84 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -152.63 155.29 37.05 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.156 0.503 . . . . 73.510000000000005 110.873 173.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 tp -79.99 105.18 11.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.445 0.64 . . . . 74.25 110.806 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.464 ' HB3' HD12 ' A' ' 59' ' ' LEU . . . -93.88 129.95 40.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.504 -0.771 . . . . 72.439999999999998 111.898 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.16 149.3 17.89 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 121.289 -0.481 . . . . 50.420000000000002 112.725 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.608 HD12 HD23 ' A' ' 49' ' ' LEU . 38.2 mt -134.3 137.93 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.853 0.326 . . . . 63.329999999999998 111.164 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' HB2' HD23 ' A' ' 78' ' ' LEU . 33.0 ttt180 -114.14 122.68 47.58 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.713 -0.221 . . . . 74.019999999999996 110.899 176.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.642 HD13 HD13 ' A' ' 66' ' ' LEU . 24.4 mt -118.46 116.85 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 116.682 -0.235 . . . . 72.200000000000003 111.114 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.532 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 87.9 t -119.15 118.1 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 121.518 0.675 . . . . 75.299999999999997 111.668 176.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.26 165.61 25.97 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 115.488 -0.778 . . . . 70.120000000000005 112.203 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -71.68 138.79 48.86 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 121.206 0.527 . . . . 75.200000000000003 112.362 -177.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.1 90.26 0.09 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.121 -0.49 . . . . 64.329999999999998 111.872 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.624 ' HB2' ' HG3' ' A' ' 18' ' ' MET . 10.5 mmmm -96.53 -177.52 3.96 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.712 0.768 . . . . 75.420000000000002 112.14 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -42.82 -29.49 0.32 Allowed 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.387 1.254 . . . . 74.299999999999997 114.387 178.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.12 42.28 0.16 Allowed Glycine 0 CA--C 1.529 0.962 0 C-N-CA 120.198 -1.001 . . . . 71.109999999999999 114.341 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.624 ' HG3' ' HB2' ' A' ' 15' ' ' LYS . 45.5 mtp -68.62 -37.29 79.64 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.928 -0.748 . . . . 73.209999999999994 112.401 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 p -60.81 -35.93 77.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.778 0.323 . . . . 70.439999999999998 111.328 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -69.02 -48.73 62.26 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.139 0.495 . . . . 75.219999999999999 110.72 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.504 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.8 pt20 -66.03 -36.26 82.76 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.074 -0.512 . . . . 72.409999999999997 111.552 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.449 ' HA ' HD13 ' A' ' 22' ' ' ILE . 11.4 mm -63.07 -52.96 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 111.703 0.26 . . . . 74.099999999999994 111.703 -178.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.5 m -71.4 -27.03 63.03 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.157 0.503 . . . . 75.25 110.205 176.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.99 -44.35 97.29 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-N 116.117 -0.492 . . . . 74.230000000000004 112.568 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 21' ' ' GLN . 88.7 t -62.86 -34.62 67.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 122.24 -0.565 . . . . 74.310000000000002 110.445 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.43 HG21 HD11 ' A' ' 33' ' ' ILE . 73.7 mt -65.93 -39.04 83.5 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.084 -0.507 . . . . 73.420000000000002 111.49 175.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.6 p -68.79 -20.56 64.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.269 0.557 . . . . 75.140000000000001 110.74 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HD2' ' HA ' ' A' ' 25' ' ' VAL . 62.7 mttm -73.58 -16.66 61.24 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.993 -0.548 . . . . 70.150000000000006 111.796 174.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -66.06 147.85 52.71 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.388 0.613 . . . . 71.010000000000005 112.269 -178.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -72.48 -22.88 60.99 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.728 -0.669 . . . . 73.530000000000001 111.361 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.9 t -83.16 161.36 21.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.357 -0.383 . . . . 73.340000000000003 110.769 175.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.585 ' HA ' HD21 ' B' ' 20' ' ' ASN . 2.7 m120 -106.97 137.25 45.39 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.377 0.608 . . . . 72.239999999999995 112.44 -178.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.43 HD11 HG21 ' A' ' 26' ' ' ILE . 3.0 mp -61.7 109.26 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.203 -0.908 . . . . 75.549999999999997 111.502 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -82.6 -37.75 24.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.613 0.72 . . . . 75.129999999999995 109.904 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 13.3 m -155.49 145.34 21.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.159 -0.928 . . . . 73.530000000000001 109.417 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -154.13 133.62 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.199 0.523 . . . . 65.010000000000005 111.996 174.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.436 HG13 HG22 ' B' ' 37' ' ' VAL . 60.4 t -132.87 104.58 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.904 -0.589 . . . . 73.450000000000003 111.022 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.628 ' HB3' HG21 ' B' ' 36' ' ' ILE . 6.5 tt -105.36 116.59 32.2 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.209 -0.663 . . . . 74.430000000000007 109.209 175.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.18 125.38 31.06 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.234 0.54 . . . . 73.150000000000006 111.562 177.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.31 135.51 41.64 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.714 -0.675 . . . . 74.140000000000001 111.845 -178.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.613 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -113.59 -137.08 0.37 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.626 -0.715 . . . . 75.140000000000001 110.814 -178.699 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.48 87.0 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.6 0.593 . . . . 75.25 112.6 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.93 2.82 48.59 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 114.754 0.662 . . . . 53.25 114.754 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.574 ' HB ' ' HE3' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -136.87 161.01 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 117.535 0.668 . . . . 75.420000000000002 110.617 179.11 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 42.3 p90 -131.61 150.97 51.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.719 0.295 . . . . 75.319999999999993 111.205 176.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 3.2 t -124.17 113.65 18.61 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.041 0.448 . . . . 73.430000000000007 110.54 172.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.4 t -93.5 105.24 17.32 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.103 -0.499 . . . . 45.200000000000003 111.285 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -89.11 105.27 17.68 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.556 -0.293 . . . . 72.400000000000006 110.858 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.608 HD23 HD12 ' A' ' 8' ' ' ILE . 55.6 tp -99.04 134.37 41.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.767 0.318 . . . . 75.319999999999993 111.841 -179.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.549 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 67.5 mmm -127.08 112.92 15.75 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.781 0.324 . . . . 74.010000000000005 111.318 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.452 HG21 ' O ' ' A' ' 32' ' ' ASN . 2.5 pp -141.88 161.72 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-N 116.421 -0.354 . . . . 73.200000000000003 111.427 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -95.56 133.42 39.61 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.127 0.489 . . . . 73.319999999999993 112.036 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.6 m -131.3 142.98 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 116.081 -0.508 . . . . 74.030000000000001 111.006 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.502 ' HD3' ' H ' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -86.41 -12.24 49.71 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.759 0.314 . . . . 74.010000000000005 111.84 174.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.497 ' HB2' ' HB3' ' A' ' 58' ' ' LYS . 11.9 m120 -133.14 140.94 47.88 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 122.02 -0.425 . . . . 61.340000000000003 111.684 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.8 p -64.13 -39.13 93.37 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.469 0.652 . . . . 75.25 110.399 171.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.71 -41.73 95.8 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.33 -0.85 . . . . 74.540000000000006 110.484 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 55' ' ' ASN . 40.5 tptt -57.34 -33.15 67.45 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.271 -0.877 . . . . 75.019999999999996 111.322 175.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 6' ' ' ALA . 40.4 tp -72.7 -47.82 43.97 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 120.699 0.285 . . . . 72.329999999999998 111.694 175.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -58.53 -32.98 69.37 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.734 0.302 . . . . 64.049999999999997 110.963 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.545 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 91.6 m -56.04 -45.56 79.16 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.212 -0.449 . . . . 72.230000000000004 111.248 175.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.37 -48.39 78.11 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.384 -0.371 . . . . 74.219999999999999 111.594 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.499 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 75.9 mtm -57.83 -39.16 76.99 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.757 0.313 . . . . 73.340000000000003 111.115 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.45 -45.95 90.13 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.963 0.411 . . . . 65.239999999999995 110.929 174.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 61' ' ' THR . 29.8 mtpp -57.43 -36.86 71.9 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.082 -0.508 . . . . 73.420000000000002 111.498 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.642 HD13 HD13 ' A' ' 10' ' ' ILE . 42.4 mt -77.22 -27.96 53.59 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.161 -0.472 . . . . 71.450000000000003 111.9 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 63' ' ' MET . 98.4 mtt180 -71.47 -7.28 46.41 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.277 0.473 . . . . 70.299999999999997 112.277 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -72.69 -10.06 59.35 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 111.868 0.322 . . . . 75.310000000000002 111.868 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.2 t -85.52 113.53 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.174 0.511 . . . . 74.230000000000004 111.735 -177.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -54.97 -30.57 59.42 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.084 0.772 . . . . 74.430000000000007 113.084 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.27 -17.27 79.64 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.103 -0.57 . . . . 73.299999999999997 113.989 -177.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 99.6 t -86.58 146.7 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 117.294 0.547 . . . . 70.120000000000005 111.304 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -125.57 -15.38 6.09 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.613 0.598 . . . . 74.519999999999996 112.613 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.532 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 2.9 p -130.97 122.98 27.84 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.12 0.486 . . . . 60.240000000000002 111.618 175.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.0 t -137.18 104.91 3.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 109.453 -0.573 . . . . 75.310000000000002 109.453 172.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -134.87 163.35 30.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.202 -0.454 . . . . 63.049999999999997 111.862 -171.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -85.01 145.0 27.92 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.329 0.585 . . . . 74.030000000000001 112.22 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.462 HD23 ' HB2' ' A' ' 9' ' ' ARG . 93.6 mt -100.54 111.53 23.79 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.923 -0.581 . . . . 75.540000000000006 110.537 172.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.6 p -92.81 -58.76 2.24 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.051 0.453 . . . . 63.399999999999999 111.86 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -69.73 100.66 1.53 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.287 0.565 . . . . 74.400000000000006 111.908 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.6 mt -112.93 158.75 19.83 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.069 -0.514 . . . . 74.430000000000007 111.571 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.92 11.43 22.28 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.09 0.404 . . . . 74.230000000000004 112.09 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -71.2 130.73 42.19 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.833 0.349 . . . . 75.349999999999994 111.653 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -106.48 142.36 36.27 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.782 0.325 . . . . 75.430000000000007 111.577 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -93.19 -5.29 50.37 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.968 0.413 . . . . 55.119999999999997 111.07 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -60.03 111.41 1.49 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.78 0.659 . . . . 74.230000000000004 112.78 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -101.33 164.37 11.81 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.584 -0.735 . . . . 74.349999999999994 109.863 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.593 -0.718 . . . . 75.239999999999995 110.996 174.21 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 120.681 0.277 . . . . 72.409999999999997 111.055 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.6 t -93.52 155.0 17.58 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.371 -0.377 . . . . 72.230000000000004 111.831 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.492 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 2.1 p-10 -72.67 134.75 45.22 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.124 0.488 . . . . 72.150000000000006 112.043 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -131.4 158.63 40.26 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.194 -0.457 . . . . 73.030000000000001 110.608 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 50.5 tp -77.55 105.14 8.51 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.216 0.531 . . . . 75.219999999999999 111.067 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.17 133.28 47.29 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.069 -0.514 . . . . 72.5 111.831 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.02 144.26 15.86 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.018 -0.61 . . . . 61.140000000000001 113.095 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.48 HD11 HD22 ' B' ' 49' ' ' LEU . 37.3 mt -125.93 142.01 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 122.451 0.3 . . . . 74.439999999999998 110.401 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.47 ' HB3' ' HG3' ' B' ' 76' ' ' GLU . 0.0 OUTLIER -120.64 118.24 29.63 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.907 0.384 . . . . 75.340000000000003 110.252 -177.163 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' B' ' 46' ' ' THR . 40.3 mt -115.65 117.61 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 116.344 -0.389 . . . . 72.420000000000002 111.544 -176.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.541 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 53.6 t -117.55 109.89 29.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.453 0.644 . . . . 74.400000000000006 110.605 172.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.86 161.58 23.78 Favored Glycine 0 CA--C 1.522 0.49 0 CA-C-N 115.575 -0.738 . . . . 51.450000000000003 112.258 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -69.68 143.3 53.2 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.391 0.615 . . . . 74.430000000000007 112.205 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.35 91.02 0.53 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.952 -0.567 . . . . 74.030000000000001 111.435 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.522 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 23.8 mmtm -89.69 -178.94 5.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.607 0.718 . . . . 74.030000000000001 111.957 170.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -66.79 -21.29 66.05 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.953 -1.021 . . . . 74.349999999999994 112.288 178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.441 ' HA2' ' ND2' ' A' ' 32' ' ' ASN . . . -151.86 26.42 0.92 Allowed Glycine 0 CA--C 1.529 0.943 0 C-N-CA 120.559 -0.829 . . . . 60.43 114.28 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.522 ' HG2' ' HB2' ' B' ' 15' ' ' LYS . 38.7 mmm -74.33 -50.19 19.82 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.942 -0.74 . . . . 74.340000000000003 112.267 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.0 p -55.2 -39.7 69.93 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.941 0.401 . . . . 73.420000000000002 111.777 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.585 HD21 ' HA ' ' A' ' 32' ' ' ASN . 9.8 t-20 -76.04 -44.81 37.43 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.883 0.373 . . . . 73.25 110.957 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.448 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 7.9 pt20 -65.77 -34.63 78.61 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.681 0.277 . . . . 64.420000000000002 111.66 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' B' ' 22' ' ' ILE . 9.4 mm -64.96 -53.56 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 111.916 0.339 . . . . 71.340000000000003 111.916 -178.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.6 m -70.88 -27.3 63.72 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.099 0.476 . . . . 64.219999999999999 110.418 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.41 -52.46 53.07 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 116.071 -0.513 . . . . 75.030000000000001 112.303 171.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 50.1 t -56.38 -40.47 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.041 0.448 . . . . 64.420000000000002 110.967 174.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.53 -46.36 93.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 115.997 -0.547 . . . . 72.230000000000004 112.193 177.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 89.7 p -63.01 -22.26 66.73 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 120.911 0.386 . . . . 70.230000000000004 111.544 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.745 ' HB3' ' HZ3' ' B' ' 28' ' ' LYS . 7.6 mtpm? -73.32 -13.8 61.18 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.279 0.474 . . . . 75.239999999999995 112.279 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -66.47 154.78 39.36 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.599 0.714 . . . . 75.230000000000004 112.741 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.461 ' CG ' ' HZ1' ' B' ' 58' ' ' LYS . 4.2 p-10 -67.65 -37.12 81.97 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.101 -0.954 . . . . 74.430000000000007 111.733 176.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.5 t -74.77 151.14 39.15 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.966 -0.561 . . . . 70.209999999999994 111.79 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -83.22 123.49 29.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.836 0.35 . . . . 73.549999999999997 110.97 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.478 ' HA ' HG21 ' B' ' 51' ' ' ILE . 67.2 mt -66.15 95.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.088 0.47 . . . . 75.219999999999999 111.099 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.57 -31.76 65.49 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.974 0.416 . . . . 75.540000000000006 110.747 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.575 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 53.4 m -159.83 139.06 11.03 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.051 -0.522 . . . . 64.329999999999998 110.964 175.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.628 HG21 ' HB3' ' A' ' 38' ' ' LEU . 10.6 tp -138.19 131.75 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 120.735 0.302 . . . . 53.229999999999997 110.51 174.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.436 HG22 HG13 ' A' ' 37' ' ' VAL . 94.2 t -131.27 108.5 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-O 120.762 0.315 . . . . 74.519999999999996 111.455 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tt -114.42 116.18 28.48 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.812 0.339 . . . . 75.040000000000006 110.305 177.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 5.0 p-10 -135.02 128.37 32.21 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.041 0.448 . . . . 74.319999999999993 111.467 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -108.86 134.95 50.86 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.105 0.479 . . . . 72.219999999999999 111.897 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.39 152.92 33.76 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.013 -0.54 . . . . 74.230000000000004 110.677 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 57.8 20.66 6.72 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.948 0.722 . . . . 64.150000000000006 112.948 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.83 11.12 65.99 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 120.947 -0.644 . . . . 63.130000000000003 113.394 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mt -134.63 158.5 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 122.716 0.406 . . . . 74.319999999999993 110.163 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.517 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 39.4 p90 -128.5 143.01 50.91 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.888 -0.507 . . . . 72.310000000000002 111.213 178.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.548 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.1 t -118.84 99.94 7.07 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.315 0.579 . . . . 71.510000000000005 111.431 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' B' ' 36' ' ' ILE . 44.2 t -95.18 119.18 33.24 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.31 -0.404 . . . . 71.519999999999996 111.28 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.462 ' O ' HD11 ' B' ' 36' ' ' ILE . 52.1 m-20 -103.23 116.34 32.28 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.679 0.276 . . . . 72.099999999999994 110.808 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.48 HD22 HD11 ' B' ' 8' ' ' ILE . 42.6 tp -98.83 125.65 44.26 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.062 0.458 . . . . 65.420000000000002 111.675 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.521 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 58.8 mmm -117.15 107.36 14.38 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.305 -0.407 . . . . 73.310000000000002 111.038 178.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.478 HG21 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -140.03 177.03 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.235 -0.439 . . . . 74.439999999999998 111.829 -176.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -108.52 129.65 55.29 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.084 0.469 . . . . 75.409999999999997 111.863 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 15.3 m -124.79 142.8 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 116.299 -0.41 . . . . 75.329999999999998 111.402 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.503 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 19.0 ptpt -70.18 -29.1 65.89 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.249 0.462 . . . . 75.420000000000002 112.249 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.503 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 12.3 p30 -156.74 176.81 12.25 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.121 0.486 . . . . 72.239999999999995 111.631 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 69.7 p -72.24 -33.37 67.49 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.441 0.534 . . . . 64.530000000000001 112.441 -176.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.424 ' HA ' ' HG1' ' B' ' 60' ' ' THR . 16.3 t70 -65.32 -37.41 87.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.677 0.751 . . . . 74.109999999999999 110.066 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.461 ' HZ1' ' CG ' ' B' ' 30' ' ' ASP . 48.3 tptt -57.87 -43.62 86.11 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.24 -0.891 . . . . 72.420000000000002 110.902 172.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.548 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 64.4 tp -65.77 -47.35 75.48 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.189 -0.459 . . . . 70.109999999999999 111.829 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' THR . . . . . 0.424 ' HG1' ' HA ' ' B' ' 57' ' ' ASP . 67.5 p -61.61 -27.46 68.67 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 111.723 0.268 . . . . 75.109999999999999 111.723 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 84.9 m -60.27 -48.85 79.98 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.094 0.473 . . . . 73.319999999999993 111.02 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 68.8 mt -58.54 -37.61 76.05 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.241 -0.436 . . . . 75.25 111.005 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.548 ' HE3' ' HG ' ' B' ' 59' ' ' LEU . 62.9 mtt -53.94 -50.25 66.87 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.27 -0.423 . . . . 72.230000000000004 110.797 176.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.509 ' O ' ' HE3' ' B' ' 68' ' ' LYS . 18.0 t70 -57.07 -47.67 80.45 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.493 -0.321 . . . . 72.010000000000005 110.768 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -53.01 -41.52 64.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.105 0.478 . . . . 75.140000000000001 111.887 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.48 HD12 HD11 ' B' ' 10' ' ' ILE . 43.1 mt -76.0 -26.49 56.75 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.065 -0.516 . . . . 75.109999999999999 111.502 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.3 mtt180 -78.8 -7.86 58.24 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.375 -0.375 . . . . 72.120000000000005 111.953 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.509 ' HE3' ' O ' ' B' ' 64' ' ' ASP . 9.4 mmpt? -72.12 -25.96 61.94 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.864 0.364 . . . . 74.340000000000003 111.444 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.445 ' CG1' ' SD ' ' B' ' 18' ' ' MET . 46.1 t -78.7 125.34 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 121.42 0.629 . . . . 72.420000000000002 112.103 -174.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -56.53 -31.7 64.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.436 -0.802 . . . . 72.310000000000002 112.685 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.421 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -73.11 -24.32 75.95 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 114.523 0.569 . . . . 64.239999999999995 114.523 -177.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . 0.446 HG23 ' HE3' ' B' ' 18' ' ' MET . 42.4 t -90.8 139.78 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 117.871 0.835 . . . . 74.209999999999994 111.688 -177.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.411 ' CE2' HG12 ' B' ' 11' ' ' VAL . 0.5 OUTLIER -121.0 -17.62 7.76 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.457 0.539 . . . . 75.140000000000001 112.457 176.877 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.541 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 4.2 p -128.98 119.69 24.75 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.016 0.436 . . . . 73.140000000000001 112.035 176.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 47.5 t -132.05 105.29 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.825 -0.435 . . . . 74.109999999999999 109.825 172.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.47 ' HG3' ' HB3' ' B' ' 9' ' ' ARG . 7.8 pt-20 -133.49 165.87 23.88 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.084 -0.507 . . . . 71.420000000000002 112.027 -170.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.407 HH11 ' CD2' ' B' ' 59' ' ' LEU . 22.1 ttt85 -91.07 130.63 36.96 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.321 0.489 . . . . 74.209999999999994 112.321 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.433 ' HG ' ' HB2' ' B' ' 9' ' ' ARG . 96.9 mt -91.18 106.39 18.47 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.167 -0.47 . . . . 54.549999999999997 110.482 173.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 47.1 t -89.75 -37.26 14.66 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.011 0.434 . . . . 74.329999999999998 111.367 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -89.1 97.73 11.36 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.999 0.428 . . . . 70.109999999999999 110.506 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 mt -95.89 156.28 16.4 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.745 0.646 . . . . 62.109999999999999 112.745 -172.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.35 21.29 4.56 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.581 -0.736 . . . . 75.140000000000001 110.301 172.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -104.59 73.27 1.08 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.798 -0.637 . . . . 74.420000000000002 111.777 -174.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.82 133.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.023 0.44 . . . . 61.25 111.369 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -126.37 138.91 53.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 73.109999999999999 110.578 176.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -65.61 94.06 0.18 Allowed 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.981 0.42 . . . . 75.310000000000002 111.607 -175.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -98.32 83.74 3.11 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.055 0.455 . . . . 73.230000000000004 111.008 176.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 . . . . . 0 C--O 1.25 1.125 0 CA-C-N 115.546 -0.752 . . . . 75.310000000000002 112.13 -179.168 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.3 mtm . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 120.677 0.275 . . . . 74.510000000000005 111.217 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.6 p -53.83 113.67 1.29 Allowed 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.226 0.454 . . . . 75.109999999999999 112.226 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.483 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 8.4 p-10 -71.81 120.03 16.82 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.197 0.522 . . . . 74.219999999999999 111.157 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -125.96 154.74 42.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.958 0.408 . . . . 74.329999999999998 110.173 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.5 tp -78.81 103.01 8.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.555 0.693 . . . . 73.019999999999996 110.772 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.473 ' HB1' HD23 ' A' ' 59' ' ' LEU . . . -94.0 132.71 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.473 -0.785 . . . . 72.430000000000007 111.697 -178.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.24 146.06 17.69 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.176 -0.535 . . . . 62.539999999999999 112.771 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.404 HD11 HD23 ' A' ' 49' ' ' LEU . 55.2 mt -132.58 132.61 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 122.675 -0.309 . . . . 74.239999999999995 110.88 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.508 ' HB2' HD23 ' A' ' 78' ' ' LEU . 56.4 ttt180 -109.45 124.39 50.96 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.958 0.409 . . . . 74.549999999999997 110.837 174.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.547 ' HB ' ' HB3' ' A' ' 47' ' ' CYS . 37.9 mt -113.38 116.82 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.896 -0.593 . . . . 74.239999999999995 110.728 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.615 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 59.9 t -118.68 109.9 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 121.782 0.801 . . . . 75.120000000000005 111.062 175.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.33 164.28 23.88 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.213 -0.903 . . . . 75.329999999999998 111.813 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.98 140.16 48.98 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.398 0.618 . . . . 74.450000000000003 112.477 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -71.45 103.74 3.02 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.735 -0.666 . . . . 73.019999999999996 110.644 177.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 18' ' ' MET . 0.0 OUTLIER -163.36 147.5 10.81 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.361 -0.381 . . . . 75.010000000000005 111.39 -178.663 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 52.37 19.26 1.09 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.881 1.067 . . . . 74.409999999999997 113.881 168.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.54 34.98 27.04 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 120.88 -0.676 . . . . 74.430000000000007 113.192 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.498 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 52.0 mmm -55.89 -49.04 74.49 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.804 0.441 . . . . 64.010000000000005 112.017 178.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.9 p -50.58 -37.71 41.37 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.118 0.485 . . . . 65.129999999999995 111.735 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.543 ' HA ' HD11 ' B' ' 33' ' ' ILE . 26.0 t-20 -75.46 -46.8 30.37 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.987 -0.551 . . . . 65.239999999999995 111.039 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.498 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.5 pt20 -66.15 -38.19 87.51 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.854 0.359 . . . . 74.209999999999994 111.299 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 22' ' ' ILE . 13.8 mm -63.62 -53.81 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 112.241 0.46 . . . . 74.430000000000007 112.241 -176.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 m -68.8 -27.57 65.98 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.367 0.603 . . . . 73.209999999999994 110.284 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.95 -46.61 93.74 Favored Glycine 0 CA--C 1.528 0.867 0 CA-C-N 115.803 -0.635 . . . . 71.140000000000001 112.608 173.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 21' ' ' GLN . 95.5 t -64.3 -37.21 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 122.569 -0.371 . . . . 64.5 111.299 176.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.445 HG23 HD13 ' A' ' 49' ' ' LEU . 68.0 mt -55.21 -44.68 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 120.998 0.428 . . . . 75.099999999999994 112.034 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.3 p -61.97 -21.72 65.05 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.168 -0.332 . . . . 74.510000000000005 111.561 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -85.03 11.43 9.58 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.071 0.397 . . . . 74.230000000000004 112.071 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -82.41 162.25 22.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.362 0.601 . . . . 71.109999999999999 112.401 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.77 29.6 0.89 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.801 -0.636 . . . . 71.430000000000007 111.518 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 t -138.21 149.03 45.41 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.952 0.406 . . . . 63.439999999999998 111.418 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -80.61 123.01 27.79 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.33 -0.396 . . . . 74.129999999999995 111.344 -175.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.488 ' HA ' HG22 ' A' ' 51' ' ' ILE . 72.5 mt -68.61 104.48 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.819 0.342 . . . . 73.030000000000001 111.496 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -31.18 22.04 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.845 0.355 . . . . 74.439999999999998 110.776 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.644 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 34.5 m -156.93 133.38 9.93 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.491 -0.322 . . . . 61.43 111.688 175.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.686 HD12 ' SG ' ' A' ' 47' ' ' CYS . 9.8 tp -135.53 130.05 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 110.177 -0.305 . . . . 74.219999999999999 110.177 172.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.7 t -136.0 104.75 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 120.971 0.415 . . . . 73.329999999999998 111.18 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.624 ' HB3' HG23 ' B' ' 36' ' ' ILE . 8.8 tt -113.92 133.03 55.71 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.59 -0.277 . . . . 75.420000000000002 110.474 178.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -142.29 138.53 31.41 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.795 0.331 . . . . 75.230000000000004 110.976 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -101.54 118.6 37.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.086 0.469 . . . . 61.409999999999997 111.591 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.09 157.85 43.74 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.2 -0.455 . . . . 65.310000000000002 110.604 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 64.23 13.36 7.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.918 0.487 . . . . 54.310000000000002 112.119 -177.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.83 11.11 77.63 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.995 -0.622 . . . . 55.520000000000003 112.466 -174.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -131.95 173.0 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.297 -0.631 . . . . 70.450000000000003 109.297 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 40.3 p90 -131.02 146.94 52.56 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.72 -0.612 . . . . 75.140000000000001 111.166 173.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.3 t -121.33 104.74 9.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.15 0.5 . . . . 75.430000000000007 110.914 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.686 ' SG ' HD12 ' A' ' 36' ' ' ILE . 46.2 t -90.83 114.39 26.79 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.093 -0.503 . . . . 54.219999999999999 111.189 178.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.411 ' O ' HD11 ' A' ' 36' ' ' ILE . 3.5 m-20 -100.34 105.42 16.94 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.777 0.323 . . . . 74.049999999999997 111.069 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.445 HD13 HG23 ' A' ' 26' ' ' ILE . 53.2 tp -98.24 135.7 39.49 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.012 0.434 . . . . 74.430000000000007 111.873 -178.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.559 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 57.0 mmm -129.9 110.92 12.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 116.25 -0.432 . . . . 71.329999999999998 110.923 177.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -141.87 159.48 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 116.179 -0.464 . . . . 74.540000000000006 111.732 -177.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -92.7 130.97 38.16 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.085 0.469 . . . . 62.5 111.39 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 22.4 m -120.68 158.56 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.212 0.53 . . . . 71.209999999999994 111.578 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.515 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.0 ptmt -88.13 -7.83 56.34 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.138 -0.483 . . . . 75.540000000000006 112.224 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.515 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.8 p30 -177.82 173.07 1.62 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.873 0.469 . . . . 74.420000000000002 111.076 175.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -69.76 -39.81 76.47 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.525 0.565 . . . . 71.310000000000002 112.525 -176.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.16 -35.37 80.56 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.803 0.811 . . . . 63.439999999999998 110.076 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -57.93 -33.06 68.4 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.14 -0.937 . . . . 73.519999999999996 111.023 173.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.473 HD23 ' HB1' ' A' ' 6' ' ' ALA . 58.9 tp -77.42 -47.99 18.35 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.08 -0.509 . . . . 75.439999999999998 111.474 176.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.0 p -60.67 -28.39 68.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.948 0.404 . . . . 73.409999999999997 111.771 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.7 m -61.78 -41.58 97.9 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.021 0.438 . . . . 74.319999999999993 110.951 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.4 -36.53 82.61 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.389 -0.369 . . . . 74.5 110.895 177.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 59.6 mtt -57.11 -48.23 79.15 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.011 0.434 . . . . 63.130000000000003 110.694 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -58.98 -45.66 90.03 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.816 -0.629 . . . . 64.129999999999995 111.314 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -55.89 -46.64 78.3 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.03 -0.532 . . . . 74.329999999999998 111.651 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.546 HD13 HD12 ' A' ' 10' ' ' ILE . 41.6 mt -72.3 -28.29 63.0 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.267 0.556 . . . . 74.0 111.495 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -74.83 -7.42 53.37 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.85 -0.613 . . . . 75.129999999999995 112.076 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -71.62 -17.13 62.29 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.092 -0.38 . . . . 71.049999999999997 111.945 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.09 119.68 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.828 0.347 . . . . 75.219999999999999 111.611 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -56.64 -32.13 65.04 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.029 0.381 . . . . 71.349999999999994 112.029 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.01 -18.54 76.44 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.365 -0.445 . . . . 71.239999999999995 114.116 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.75 120.78 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 117.226 0.513 . . . . 65.219999999999999 111.244 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -106.32 -5.85 18.78 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.535 0.569 . . . . 64.040000000000006 112.535 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.615 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 8.4 p -137.51 120.65 16.73 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.018 0.437 . . . . 74.319999999999993 111.75 174.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.3 t -127.75 103.96 11.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.293 -0.632 . . . . 75.299999999999997 109.293 170.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -130.12 167.18 18.75 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.048 0.451 . . . . 71.219999999999999 112.111 -172.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -94.87 139.79 30.83 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.278 0.561 . . . . 74.540000000000006 111.518 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.508 HD23 ' HB2' ' A' ' 9' ' ' ARG . 94.7 mt -89.04 102.05 14.7 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.929 -0.578 . . . . 74.329999999999998 110.131 171.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.1 p -77.95 -63.43 1.39 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.157 -0.474 . . . . 74.219999999999999 111.57 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.67 102.94 5.55 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.11 0.481 . . . . 74.129999999999995 111.129 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.6 mt -92.33 150.61 20.74 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.149 0.5 . . . . 73.310000000000002 111.943 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -110.77 33.75 4.39 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.949 -0.568 . . . . 74.340000000000003 111.41 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -87.56 79.82 8.21 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.169 0.509 . . . . 75.420000000000002 111.763 -176.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -134.87 124.53 25.17 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.189 -0.46 . . . . 73.310000000000002 110.897 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -56.81 113.38 1.63 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 111.953 0.353 . . . . 75.439999999999998 111.953 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -69.17 78.67 0.35 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.271 0.557 . . . . 61.409999999999997 111.009 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -89.12 3.98 50.01 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.974 -0.557 . . . . 73.510000000000005 112.092 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.254 1.315 0 CA-C-O 118.651 -0.69 . . . . 74.310000000000002 111.137 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.7 tpp . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.774 0.321 . . . . 63.399999999999999 111.051 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 64.2 m -80.11 137.66 36.78 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.618 -0.265 . . . . 71.310000000000002 111.233 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.505 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 4.8 m-20 -67.18 119.96 12.96 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.905 0.383 . . . . 70.209999999999994 111.212 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -117.47 157.27 26.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 72.209999999999994 109.934 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.428 HD21 ' CE1' ' B' ' 83' ' ' HIS . 43.1 tp -75.53 102.59 5.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.053 0.454 . . . . 73.019999999999996 110.84 178.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.0 158.39 15.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.099 0.476 . . . . 62.109999999999999 111.306 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.37 153.52 21.99 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.977 -0.63 . . . . 73.319999999999993 112.741 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 57.9 mt -137.45 140.85 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 122.587 0.355 . . . . 74.120000000000005 110.646 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.516 ' HB2' HD23 ' B' ' 78' ' ' LEU . 66.0 ttt180 -118.2 123.26 45.05 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.942 0.401 . . . . 73.239999999999995 110.77 175.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.596 HD11 HD13 ' B' ' 66' ' ' LEU . 48.7 mt -113.14 116.42 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.045 -0.525 . . . . 75.519999999999996 110.847 -179.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.616 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 92.2 t -114.38 116.86 53.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.473 0.654 . . . . 75.420000000000002 110.882 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.05 167.91 25.52 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.632 -0.713 . . . . 63.420000000000002 112.935 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.23 121.43 12.54 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 121.35 0.595 . . . . 72.030000000000001 112.229 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -68.78 92.33 0.48 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.146 0.498 . . . . 73.019999999999996 111.747 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -112.25 168.49 9.58 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.918 0.866 . . . . 75.209999999999994 113.32 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -75.47 41.19 0.18 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.34 -1.3 . . . . 75.340000000000003 112.892 -175.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.13 -27.71 0.06 OUTLIER Glycine 0 CA--C 1.525 0.68 0 CA-C-N 115.849 -0.614 . . . . 74.409999999999997 112.094 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.443 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 58.1 mmm -56.64 -50.86 70.8 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.291 0.478 . . . . 71.099999999999994 112.291 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 70.0 p -60.18 -31.99 70.64 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.904 0.383 . . . . 75.109999999999999 111.456 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.43 ' ND2' HG13 ' A' ' 33' ' ' ILE . 14.4 m120 -74.27 -48.2 30.16 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.16 0.505 . . . . 73.239999999999995 110.878 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.48 ' O ' HG22 ' B' ' 25' ' ' VAL . 9.7 pt20 -65.39 -36.05 82.81 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.086 -0.506 . . . . 75.319999999999993 111.621 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' B' ' 22' ' ' ILE . 10.9 mm -62.53 -53.58 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 112.333 0.494 . . . . 62.140000000000001 112.333 -176.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 3.5 m -70.95 -27.41 63.72 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.39 -0.524 . . . . 73.439999999999998 110.261 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.18 -48.26 86.8 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-N 116.142 -0.481 . . . . 74.239999999999995 112.562 173.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.48 HG22 ' O ' ' B' ' 21' ' ' GLN . 94.5 t -59.57 -38.16 74.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 122.464 -0.433 . . . . 75.010000000000005 110.993 175.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.404 HG21 HD13 ' B' ' 49' ' ' LEU . 72.0 mt -60.02 -41.58 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 116.279 -0.419 . . . . 75.230000000000004 112.003 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 52.3 p -65.21 -20.86 66.63 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.992 0.425 . . . . 75.219999999999999 111.334 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 28.0 mtpp -76.84 -8.24 56.96 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.186 0.439 . . . . 74.349999999999994 112.186 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 22.8 m-30 -68.92 179.26 1.88 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.517 0.675 . . . . 72.329999999999998 112.187 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -109.1 5.07 23.7 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.781 -0.645 . . . . 74.219999999999999 112.158 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.0 t -106.73 166.88 10.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.593 0.59 . . . . 72.239999999999995 112.593 -174.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -94.85 122.18 37.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.928 -0.578 . . . . 64.310000000000002 111.947 -176.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 20' ' ' ASN . 60.4 mt -76.14 126.6 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.092 -0.504 . . . . 74.010000000000005 111.847 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' B' ' 34' ' ' ARG . 35.1 mmt180 -105.1 -28.93 10.72 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.041 0.448 . . . . 74.5 111.018 174.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.544 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 95.5 m -156.92 132.87 9.57 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.143 -0.48 . . . . 73.420000000000002 111.425 176.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 38' ' ' LEU . 10.6 tp -131.94 132.48 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.917 0.389 . . . . 63.210000000000001 110.378 172.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 97.8 t -126.29 141.06 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.255 -0.43 . . . . 75.530000000000001 110.663 178.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.644 ' O ' ' HA ' ' A' ' 35' ' ' THR . 8.0 tt -145.09 116.61 8.08 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.576 -0.527 . . . . 74.540000000000006 109.576 171.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' B' ' 39' ' ' ASN . 3.6 p-10 -135.76 127.22 28.62 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.088 0.47 . . . . 75.310000000000002 111.542 178.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -102.78 133.92 47.03 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.212 0.53 . . . . 54.039999999999999 112.165 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -151.56 147.4 26.75 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.729 -0.668 . . . . 74.329999999999998 110.453 176.477 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.4 t70 64.1 20.34 12.15 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.164 0.507 . . . . 64.409999999999997 111.914 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.79 6.76 82.32 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.841 -0.695 . . . . 73.430000000000007 113.067 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mt -125.43 161.7 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 109.69 -0.485 . . . . 71.120000000000005 109.69 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.547 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 36.7 p90 -131.56 145.61 51.81 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.981 -0.449 . . . . 73.540000000000006 111.23 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.3 t -120.19 108.17 13.9 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.084 0.469 . . . . 63.109999999999999 111.446 176.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 48.4 t -96.58 116.46 29.14 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.41 -0.359 . . . . 74.540000000000006 111.313 177.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.4 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 2.5 m-20 -104.8 113.3 26.81 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.973 0.416 . . . . 74.209999999999994 111.205 -177.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.404 HD13 HG21 ' B' ' 26' ' ' ILE . 58.4 tp -98.3 134.21 41.63 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.228 -0.442 . . . . 62.240000000000002 111.844 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.42 ' HE2' ' NE2' ' B' ' 83' ' ' HIS . 67.6 mmm -124.03 110.55 14.9 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.812 0.339 . . . . 73.420000000000002 111.121 176.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.504 HG21 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -142.31 158.82 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 121.093 0.473 . . . . 72.200000000000003 111.993 -176.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -92.36 135.8 33.73 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 111.837 0.31 . . . . 75.439999999999998 111.837 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 3.6 m -136.61 146.79 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.723 0.297 . . . . 72.530000000000001 111.161 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -73.18 -17.84 61.33 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.578 0.584 . . . . 75.109999999999999 112.578 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.3 155.56 7.89 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.212 0.449 . . . . 74.25 112.212 -178.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -58.6 -25.03 62.21 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.851 0.686 . . . . 75.219999999999999 112.851 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.21 -41.0 92.11 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.755 0.788 . . . . 72.230000000000004 110.639 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -61.74 -38.94 89.8 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.995 -1.002 . . . . 73.420000000000002 111.123 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.412 HD21 ' HB2' ' B' ' 77' ' ' ARG . 57.0 tp -68.4 -45.24 73.22 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.059 -0.519 . . . . 74.230000000000004 111.583 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 71.9 p -65.41 -34.04 77.36 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.011 0.434 . . . . 74.120000000000005 111.682 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 85.2 m -62.56 -40.5 97.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.309 -0.405 . . . . 63.210000000000001 111.388 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.42 -38.85 92.74 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.608 -0.269 . . . . 74.519999999999996 111.676 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.573 ' HE3' ' HB3' ' B' ' 77' ' ' ARG . 57.9 mtt -51.25 -52.66 42.73 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.028 0.442 . . . . 70.209999999999994 110.714 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.527 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 27.3 t70 -54.35 -52.97 59.91 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.663 -0.698 . . . . 74.099999999999994 111.103 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -50.26 -39.16 44.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.108 0.48 . . . . 74.239999999999995 111.836 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.596 HD13 HD11 ' B' ' 10' ' ' ILE . 59.9 mt -79.6 -26.61 41.2 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.143 -0.48 . . . . 64.420000000000002 111.766 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.8 mtt180 -75.62 -11.03 59.93 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.45 -0.341 . . . . 73.140000000000001 111.755 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 13.1 mmmm -75.37 2.71 10.64 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.838 0.351 . . . . 75.209999999999994 111.905 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.3 t -97.17 125.59 50.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 CA-C-O 120.776 0.322 . . . . 74.540000000000006 111.36 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -56.96 -30.5 64.11 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 112.894 0.701 . . . . 74.099999999999994 112.894 -175.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.48 -10.08 74.34 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.953 -0.641 . . . . 73.239999999999995 114.323 -174.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.9 t -97.22 135.82 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 117.614 0.707 . . . . 64.25 111.466 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -121.8 -10.26 8.73 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.484 0.55 . . . . 75.310000000000002 112.484 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.616 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.3 p -135.31 122.7 21.85 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.03 0.443 . . . . 54.399999999999999 111.471 175.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 44.1 t -135.82 104.19 4.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 116.277 -0.419 . . . . 74.439999999999998 110.034 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -123.73 168.93 12.04 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.5 -0.318 . . . . 73.150000000000006 111.121 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.573 ' HB3' ' HE3' ' B' ' 63' ' ' MET . 13.3 ptt180 -98.81 136.43 38.85 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.425 0.631 . . . . 75.299999999999997 110.992 176.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' B' ' 9' ' ' ARG . 94.9 mt -79.59 91.64 5.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.929 -0.578 . . . . 72.5 110.619 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -72.14 -58.54 3.34 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.046 -0.524 . . . . 71.030000000000001 111.329 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.27 103.25 6.2 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.931 0.396 . . . . 74.239999999999995 110.763 178.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -102.85 147.45 26.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.248 0.547 . . . . 71.530000000000001 111.975 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.645 ' HG3' ' H ' ' B' ' 83' ' ' HIS . 5.9 pt-20 -91.58 -95.28 0.13 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.962 -0.563 . . . . 71.530000000000001 109.946 171.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.645 ' H ' ' HG3' ' B' ' 82' ' ' GLU . 49.3 m-70 67.77 -22.74 0.12 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.139 0.792 . . . . 73.230000000000004 113.139 175.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . 0.458 ' H ' ' C ' ' B' ' 82' ' ' GLU . 51.0 t60 -80.28 123.36 27.9 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.105 -0.702 . . . . 75.549999999999997 109.105 172.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -49.76 -31.22 11.0 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.814 1.042 . . . . 73.219999999999999 113.814 -170.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -69.6 84.58 0.44 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 121.066 0.46 . . . . 75.310000000000002 111.016 175.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -160.04 142.39 13.27 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.222 -0.445 . . . . 75.519999999999996 111.908 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 30.0 m80 . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.497 -0.763 . . . . 74.239999999999995 110.888 170.804 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.453 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.138 0.494 . . . . 74.109999999999999 111.386 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 t -154.72 -36.06 0.09 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.806 -0.634 . . . . 73.430000000000007 110.575 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.534 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 24.2 t70 -171.65 112.4 0.33 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.422 -0.808 . . . . 74.109999999999999 109.093 173.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -128.34 154.51 45.88 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.984 0.421 . . . . 73.140000000000001 110.976 -175.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' A' ' 50' ' ' MET . 51.0 tp -78.94 102.73 8.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.282 0.563 . . . . 74.439999999999998 110.977 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.461 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -93.65 150.02 20.75 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.945 -0.571 . . . . 71.310000000000002 111.702 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.28 143.61 14.46 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.018 -0.61 . . . . 51.219999999999999 113.622 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.1 mt -132.72 144.8 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 122.886 0.474 . . . . 73.239999999999995 110.043 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.502 ' HB2' HD22 ' A' ' 78' ' ' LEU . 62.9 ttt180 -121.89 133.39 54.86 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.659 -0.651 . . . . 75.310000000000002 111.3 175.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.453 ' HB ' ' HB3' ' A' ' 47' ' ' CYS . 19.8 mt -121.3 117.36 52.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 115.931 -0.577 . . . . 73.319999999999993 110.881 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.565 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 52.3 t -122.01 118.63 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 121.513 0.673 . . . . 74.019999999999996 111.227 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.42 158.88 27.79 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.46 -0.791 . . . . 60.149999999999999 112.779 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.04 128.08 35.4 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.078 0.466 . . . . 74.310000000000002 111.314 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.42 109.68 7.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.823 0.344 . . . . 65.409999999999997 111.174 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 18' ' ' MET . 20.5 ptmt -149.24 128.77 13.09 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.36 0.504 . . . . 74.319999999999993 112.36 -176.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 56.33 26.49 10.65 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.889 1.07 . . . . 74.409999999999997 113.889 172.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.553 ' HA2' HD21 ' B' ' 32' ' ' ASN . . . 86.83 37.68 8.42 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 120.826 -0.702 . . . . 75.200000000000003 113.799 177.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.565 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 35.0 mtp -66.22 -42.13 89.13 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.359 0.503 . . . . 63.329999999999998 112.359 178.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.4 p -50.65 -29.76 11.84 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.906 0.384 . . . . 63.340000000000003 111.936 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.465 ' ND2' HG13 ' B' ' 33' ' ' ILE . 14.8 m120 -72.89 -48.15 39.77 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.084 0.469 . . . . 74.239999999999995 111.034 178.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 18' ' ' MET . 1.7 pt20 -66.06 -38.31 88.0 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.983 -0.553 . . . . 74.219999999999999 111.16 -177.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.522 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 22.3 mm -62.27 -53.76 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 112.43 0.53 . . . . 72.439999999999998 112.43 -175.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 m -72.09 -26.79 62.29 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.431 -0.508 . . . . 62.229999999999997 110.502 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.68 -45.81 95.07 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 120.88 -0.676 . . . . 62.200000000000003 112.147 172.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.523 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 89.4 t -62.35 -35.63 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.647 0.26 . . . . 74.230000000000004 111.476 176.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.566 HD11 HD23 ' A' ' 49' ' ' LEU . 48.7 mm -51.52 -43.11 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-O 121.284 0.564 . . . . 75.209999999999994 111.329 176.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 m -59.0 -32.62 69.87 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.945 -0.57 . . . . 73.299999999999997 111.518 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' ' 25' ' ' VAL . 37.6 mtmt -86.58 18.29 3.42 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.974 -0.557 . . . . 73.519999999999996 112.361 -171.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 21.6 m-30 -90.05 -5.78 56.23 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 111.975 0.361 . . . . 74.340000000000003 111.975 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 67.86 1.97 2.9 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.521 0.563 . . . . 73.019999999999996 112.521 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 t -101.58 147.48 26.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.239 -0.288 . . . . 72.420000000000002 111.037 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -72.5 120.54 18.26 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.065 0.46 . . . . 73.230000000000004 111.55 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.502 ' HA ' HG23 ' A' ' 51' ' ' ILE . 79.1 mt -72.35 101.07 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 116.158 -0.474 . . . . 71.319999999999993 111.459 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -82.21 -33.57 29.3 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.911 0.386 . . . . 75.400000000000006 110.472 178.609 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 46.2 m -155.25 132.62 11.05 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.743 0.306 . . . . 72.010000000000005 111.753 176.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.694 HD11 ' SG ' ' A' ' 47' ' ' CYS . 9.8 tp -140.45 131.55 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 110.232 -0.285 . . . . 75.329999999999998 110.232 174.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.88 104.84 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 120.932 0.396 . . . . 74.140000000000001 111.785 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.643 ' HB3' HG23 ' B' ' 36' ' ' ILE . 8.0 tt -113.51 127.15 55.99 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 122.304 -0.248 . . . . 72.310000000000002 110.35 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -138.81 131.88 29.69 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.801 0.334 . . . . 75.329999999999998 110.97 173.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -97.79 104.56 16.6 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.25 0.548 . . . . 70.530000000000001 111.559 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' HE3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -128.8 152.81 48.06 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.918 -0.583 . . . . 75.340000000000003 110.372 178.039 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 66.6 8.71 6.05 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.537 0.335 . . . . 74.340000000000003 111.502 -176.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.77 75.58 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 121.257 -0.497 . . . . 62.409999999999997 112.674 -173.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.7 mt -125.64 153.85 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.16 0.584 . . . . 73.319999999999993 110.241 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 39.8 p90 -113.84 147.1 38.98 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.63 -0.669 . . . . 75.030000000000001 111.489 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 t -122.66 100.33 6.86 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.202 0.525 . . . . 71.099999999999994 110.96 173.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.694 ' SG ' HD11 ' A' ' 36' ' ' ILE . 48.6 t -94.34 113.59 25.5 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.042 -0.526 . . . . 61.100000000000001 111.402 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.421 ' O ' HD13 ' A' ' 36' ' ' ILE . 2.3 m-20 -100.89 112.06 24.41 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.769 0.319 . . . . 75.530000000000001 111.21 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.566 HD23 HD11 ' A' ' 26' ' ' ILE . 51.1 tp -98.74 134.28 41.87 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.224 -0.443 . . . . 71.109999999999999 112.147 -178.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.566 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 58.6 mmm -131.98 112.04 12.05 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.229 -0.442 . . . . 71.400000000000006 110.766 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.502 HG23 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -141.69 159.71 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 116.362 -0.381 . . . . 74.120000000000005 111.647 -176.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -92.72 145.82 24.12 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.026 0.441 . . . . 75.409999999999997 111.724 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 13.6 m -146.83 153.22 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 116.31 -0.404 . . . . 74.329999999999998 111.118 -177.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -91.24 -9.28 45.82 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.003 0.371 . . . . 74.519999999999996 112.003 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -160.78 160.45 31.25 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.039 0.447 . . . . 74.519999999999996 111.737 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.9 p -72.36 -23.95 61.21 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.133 0.419 . . . . 74.010000000000005 112.133 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.83 -40.28 96.24 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.914 0.864 . . . . 75.349999999999994 109.837 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -59.49 -43.12 93.38 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.675 -1.148 . . . . 74.430000000000007 111.356 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.498 ' HG ' ' HE3' ' A' ' 63' ' ' MET . 50.4 tp -65.28 -48.04 74.57 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.384 -0.371 . . . . 73.349999999999994 111.811 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.7 p -64.67 -28.35 69.55 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.864 0.364 . . . . 75.109999999999999 111.66 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.2 m -61.44 -42.41 98.72 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.154 0.502 . . . . 75.329999999999998 111.413 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.65 -37.74 88.6 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 111.091 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.498 ' HE3' ' HG ' ' A' ' 59' ' ' LEU . 51.8 mtt -56.74 -49.38 75.38 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.222 0.534 . . . . 75.120000000000005 110.805 176.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.414 ' O ' ' HE2' ' A' ' 68' ' ' LYS . 10.7 t70 -58.37 -44.92 89.05 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.576 -0.738 . . . . 55.140000000000001 110.728 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -58.21 -40.79 82.54 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.931 0.396 . . . . 73.310000000000002 111.827 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.416 HD13 HD11 ' A' ' 10' ' ' ILE . 44.7 mt -76.04 -31.92 59.08 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.064 0.459 . . . . 74.239999999999995 112.178 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -71.35 -7.76 49.26 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 112.648 0.61 . . . . 73.519999999999996 112.648 -174.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.414 ' HE2' ' O ' ' A' ' 64' ' ' ASP . 70.9 mmtt -72.68 -18.85 61.51 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.168 0.433 . . . . 75.239999999999995 112.168 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.428 HG13 ' HE1' ' A' ' 18' ' ' MET . 60.1 t -77.06 121.27 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 112.209 0.448 . . . . 75.400000000000006 112.209 -173.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 71' ' ' GLY . 6.7 pt20 -54.62 -34.45 62.11 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.855 0.687 . . . . 74.400000000000006 112.855 -177.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.558 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -75.94 -22.25 74.66 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.146 -0.55 . . . . 75.150000000000006 113.816 -176.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.2 t -88.94 133.12 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 117.12 0.46 . . . . 73.019999999999996 111.396 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.62 -8.61 10.9 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.373 0.509 . . . . 75.099999999999994 112.373 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.565 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 6.2 p -133.64 118.74 18.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.173 0.511 . . . . 73.409999999999997 111.492 175.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.4 t -134.69 102.52 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.681 -0.488 . . . . 74.040000000000006 109.681 171.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -137.68 173.7 11.37 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.255 0.55 . . . . 72.010000000000005 111.873 -173.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -87.47 148.07 25.11 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.846 -0.616 . . . . 74.120000000000005 111.523 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 9' ' ' ARG . 94.5 mt -96.77 104.97 17.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.288 -0.414 . . . . 71.329999999999998 110.697 174.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.6 p -80.19 -60.0 2.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.906 0.384 . . . . 74.209999999999994 111.598 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -76.37 104.1 6.71 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.274 0.559 . . . . 72.510000000000005 110.956 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.4 mt -100.57 132.66 45.84 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.12 -0.491 . . . . 72.310000000000002 111.81 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -94.25 27.26 2.96 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.527 0.679 . . . . 73.439999999999998 110.888 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -81.51 69.57 8.19 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.27 0.557 . . . . 64.230000000000004 111.895 -174.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -60.63 133.15 55.81 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.47 -0.786 . . . . 73.040000000000006 111.708 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -109.63 121.29 44.89 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.465 0.543 . . . . 74.420000000000002 112.465 -174.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -168.53 122.59 0.88 Allowed 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.023 0.44 . . . . 75.5 111.027 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -108.8 131.66 54.75 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.403 -0.362 . . . . 71.219999999999999 111.141 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.695 -0.669 . . . . 74.329999999999998 111.491 178.844 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.534 ' SD ' ' N ' ' B' ' 1' ' ' MET . 3.0 mpp? . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.696 0.284 . . . . 64.109999999999999 111.216 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 11.5 t -175.18 -176.9 0.98 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.81 0.444 . . . . 74.340000000000003 110.377 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -154.75 145.89 22.79 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.078 0.466 . . . . 71.010000000000005 112.008 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -149.86 148.86 29.66 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.114 -0.493 . . . . 72.120000000000005 110.104 168.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 49.1 tp -77.36 102.14 6.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.257 0.551 . . . . 70.439999999999998 110.927 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.509 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -94.65 138.07 32.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.907 -0.588 . . . . 73.340000000000003 111.227 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.484 ' HA3' ' HB2' ' B' ' 78' ' ' LEU . . . -114.24 143.08 17.88 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 121.034 -0.603 . . . . 72.450000000000003 113.518 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.55 HD13 HD22 ' B' ' 49' ' ' LEU . 41.1 mt -128.45 145.21 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.815 -0.439 . . . . 75.409999999999997 109.815 175.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.462 ' HB2' HD22 ' B' ' 78' ' ' LEU . 35.9 ttt180 -121.95 124.98 45.33 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.997 -0.439 . . . . 74.129999999999995 110.81 175.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.487 HD11 HD13 ' B' ' 66' ' ' LEU . 42.2 mt -113.3 117.25 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.535 . . . . 74.420000000000002 110.709 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.563 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 59.4 t -120.53 112.62 37.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 CA-C-O 121.342 0.592 . . . . 72.019999999999996 110.816 177.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.09 168.04 24.71 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.412 -0.813 . . . . 74.310000000000002 112.878 -177.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.419 ' HG3' ' HG2' ' B' ' 15' ' ' LYS . 14.6 pt-20 -76.44 143.64 40.43 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.24 0.459 . . . . 74.430000000000007 112.24 -176.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.69 94.11 0.06 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.268 0.47 . . . . 74.219999999999999 112.268 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.658 ' HZ1' ' HB3' ' B' ' 15' ' ' LYS . 3.5 mmmp? -107.63 145.87 32.74 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.68 -0.236 . . . . 72.140000000000001 111.214 172.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 4.37 -65.36 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 O-C-N 124.764 1.29 . . . . 75.340000000000003 114.365 164.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.15 31.91 1.92 Allowed Glycine 0 CA--C 1.528 0.859 0 CA-C-N 115.732 -0.667 . . . . 70.310000000000002 113.529 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.476 ' CG ' ' HB2' ' B' ' 15' ' ' LYS . 20.3 mmm -66.16 -48.3 71.2 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 122.493 -0.416 . . . . 74.329999999999998 111.961 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 67.7 p -59.23 -30.99 68.65 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.139 0.495 . . . . 71.129999999999995 111.502 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.414 ' ND2' HG13 ' A' ' 33' ' ' ILE . 14.0 m120 -76.24 -48.41 20.4 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.061 -0.518 . . . . 70.040000000000006 110.949 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.473 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.6 pt20 -67.0 -39.74 87.18 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.305 -0.407 . . . . 73.209999999999994 111.678 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.414 ' O ' HG13 ' B' ' 26' ' ' ILE . 10.5 mm -56.36 -54.33 29.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 112.007 0.373 . . . . 75.099999999999994 112.007 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 15.6 m -74.67 -28.59 60.9 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.093 0.473 . . . . 71.519999999999996 110.76 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.17 95.54 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-N 116.083 -0.508 . . . . 75.219999999999999 112.633 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 21' ' ' GLN . 91.9 t -71.61 -36.88 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 120.91 0.386 . . . . 73.019999999999996 110.836 175.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.419 HG21 HD13 ' B' ' 49' ' ' LEU . 71.2 mt -56.66 -40.18 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 120.806 0.336 . . . . 73.409999999999997 111.753 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 61.9 p -62.24 -21.74 65.41 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 120.764 0.316 . . . . 72.549999999999997 111.326 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -80.52 -1.55 42.3 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 111.882 0.327 . . . . 71.420000000000002 111.882 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -73.2 154.18 40.37 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.563 0.697 . . . . 73.340000000000003 112.332 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.32 10.51 2.45 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.363 -0.835 . . . . 65.040000000000006 111.948 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.504 ' HG1' ' HB ' ' B' ' 51' ' ' ILE . 1.8 t -125.79 162.62 24.69 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 112.531 0.567 . . . . 73.329999999999998 112.531 -176.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . 0.553 HD21 ' HA2' ' A' ' 17' ' ' GLY . 25.4 t-20 -87.38 132.12 34.07 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.0 -0.545 . . . . 74.040000000000006 111.505 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.465 HG13 ' ND2' ' A' ' 20' ' ' ASN . 64.8 mt -78.01 100.3 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.315 -0.402 . . . . 73.450000000000003 110.778 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' B' ' 34' ' ' ARG . 0.5 OUTLIER -77.51 -32.81 54.39 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.113 0.483 . . . . 70.209999999999994 111.1 -177.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 72.0 m -156.1 133.28 10.68 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.926 -0.579 . . . . 74.540000000000006 110.861 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.718 HD11 ' SG ' ' B' ' 47' ' ' CYS . 10.7 tp -134.15 130.12 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 120.993 0.425 . . . . 73.540000000000006 110.588 175.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 85.7 t -126.15 138.68 53.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 CA-C-N 116.437 -0.347 . . . . 70.310000000000002 110.254 177.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.631 ' O ' ' HA ' ' A' ' 35' ' ' THR . 7.7 tt -144.1 116.31 8.45 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.866 -0.42 . . . . 71.510000000000005 109.866 175.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.426 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 2.5 p-10 -134.9 109.64 8.63 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.221 0.534 . . . . 63.200000000000003 111.564 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -92.24 130.82 37.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.355 0.598 . . . . 65.129999999999995 112.493 -177.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.523 ' HD3' ' N ' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -154.43 157.92 39.19 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.614 -0.721 . . . . 74.25 110.118 175.532 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 63.54 11.6 5.79 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 112.348 0.499 . . . . 71.109999999999999 112.348 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.53 11.36 60.87 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 121.124 -0.56 . . . . 72.340000000000003 112.86 -177.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.8 mt -136.0 158.26 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 122.922 0.489 . . . . 75.420000000000002 110.598 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.52 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 43.2 p90 -129.38 140.07 51.48 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 122.052 -0.405 . . . . 74.329999999999998 111.517 177.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -112.09 102.26 10.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.095 0.474 . . . . 73.439999999999998 111.755 175.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.718 ' SG ' HD11 ' B' ' 36' ' ' ILE . 51.8 t -91.06 113.41 25.66 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.235 -0.438 . . . . 75.540000000000006 111.632 177.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -94.88 110.9 22.73 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.546 0.338 . . . . 74.430000000000007 111.065 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.55 HD22 HD13 ' B' ' 8' ' ' ILE . 55.1 tp -98.22 131.58 44.45 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.109 0.481 . . . . 72.430000000000007 112.013 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.728 ' SD ' ' NE2' ' B' ' 83' ' ' HIS . 0.1 OUTLIER -126.19 111.02 14.12 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.171 -0.468 . . . . 74.519999999999996 110.976 176.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.504 ' HB ' ' HG1' ' B' ' 31' ' ' THR . 2.6 pp -139.53 159.69 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 112.219 0.451 . . . . 75.140000000000001 112.219 -175.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -97.67 130.94 44.63 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.127 0.489 . . . . 74.430000000000007 111.789 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.77 155.96 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.954 0.407 . . . . 74.209999999999994 111.609 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.575 ' HB2' ' HZ2' ' B' ' 54' ' ' LYS . 10.2 mtmp? -88.64 -12.97 40.99 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.264 -0.426 . . . . 74.409999999999997 111.868 177.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -164.31 166.59 20.7 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.903 0.382 . . . . 65.439999999999998 111.529 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 66.2 p -72.5 -35.8 68.23 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.689 0.626 . . . . 65.540000000000006 112.689 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.41 -32.37 73.79 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.641 0.734 . . . . 71.219999999999999 110.538 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -59.04 -44.44 91.76 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.284 -0.871 . . . . 73.150000000000006 110.981 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.509 HD22 ' HB1' ' B' ' 6' ' ' ALA . 64.0 tp -67.24 -47.33 71.11 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.287 -0.415 . . . . 71.430000000000007 111.579 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 75.4 p -60.1 -36.95 78.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.606 -0.27 . . . . 74.549999999999997 111.486 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 82.1 m -63.1 -42.27 99.55 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.443 -0.344 . . . . 73.310000000000002 111.069 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 50.5 mt -59.88 -47.99 83.51 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.937 0.398 . . . . 75.409999999999997 111.199 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.57 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 71.7 mtm -59.8 -39.89 86.51 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.747 0.308 . . . . 71.099999999999994 110.953 176.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.15 -38.2 85.57 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.077 0.465 . . . . 71.439999999999998 111.012 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -62.28 -42.82 99.68 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.321 0.581 . . . . 71.140000000000001 111.029 174.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.487 HD13 HD11 ' B' ' 10' ' ' ILE . 65.3 mt -71.26 -26.85 63.07 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.992 -0.549 . . . . 71.200000000000003 111.742 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.5 mtt180 -68.44 -9.02 45.78 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 111.983 0.364 . . . . 74.219999999999999 111.983 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -76.78 -9.67 58.84 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.722 0.638 . . . . 71.400000000000006 112.722 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.8 t -92.46 125.49 45.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-O 121.491 0.662 . . . . 74.310000000000002 112.548 -174.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -58.43 -30.84 67.2 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.379 -0.828 . . . . 64.219999999999999 112.749 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.18 -11.94 84.53 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.254 -0.498 . . . . 73.109999999999999 114.186 -176.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.54 134.27 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 117.537 0.668 . . . . 73.450000000000003 111.942 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.29 -19.37 10.21 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.282 -0.417 . . . . 75.319999999999993 112.072 176.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.563 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 0.7 OUTLIER -124.13 118.38 26.77 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.946 -0.471 . . . . 74.400000000000006 111.655 176.077 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 39.6 t -128.28 110.27 21.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 109.053 -0.721 . . . . 75.109999999999999 109.053 170.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -137.71 160.93 37.88 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.745 0.646 . . . . 71.230000000000004 112.745 -173.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.433 ' HG3' HD23 ' B' ' 59' ' ' LEU . 76.1 ttt-85 -88.7 122.76 32.46 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.783 -0.644 . . . . 75.239999999999995 111.457 177.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.484 ' HB2' ' HA3' ' B' ' 7' ' ' GLY . 94.7 mt -70.45 99.55 1.62 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.939 0.399 . . . . 75.230000000000004 110.957 176.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 69.0 p -73.58 -58.27 3.42 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.133 0.492 . . . . 55.520000000000003 111.677 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -83.86 120.95 26.68 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 116.322 -0.399 . . . . 71.439999999999998 111.078 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.411 ' CD1' ' HE1' ' B' ' 50' ' ' MET . 48.4 mt -111.34 152.42 27.29 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.484 0.659 . . . . 62.210000000000001 112.053 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -89.73 19.86 4.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.623 -0.717 . . . . 71.129999999999995 110.583 172.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.728 ' NE2' ' SD ' ' B' ' 50' ' ' MET . 42.8 m-70 -99.11 -62.69 1.2 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.935 0.717 . . . . 75.019999999999996 112.935 -172.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -70.14 7.81 0.9 Allowed 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 112.801 0.667 . . . . 71.430000000000007 112.801 -168.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -95.84 11.18 34.6 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.242 0.544 . . . . 72.540000000000006 110.31 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -66.96 83.6 0.11 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.71 -0.677 . . . . 75.530000000000001 112.395 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -103.3 2.28 33.95 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.354 0.597 . . . . 65.140000000000001 110.58 173.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.528 -0.76 . . . . 74.409999999999997 110.745 178.702 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtt . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.037 0.446 . . . . 74.340000000000003 111.704 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 m -117.07 9.34 13.59 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.427 0.632 . . . . 75.519999999999996 110.186 173.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 5.2 m-20 -61.96 121.41 12.9 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.862 -0.608 . . . . 74.409999999999997 111.191 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -111.9 155.16 24.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.982 0.42 . . . . 75.209999999999994 109.975 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.0 tp -77.68 104.34 8.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.43 0.633 . . . . 74.109999999999999 110.808 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.48 ' HB3' HD11 ' A' ' 59' ' ' LEU . . . -93.09 136.85 32.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.728 -0.669 . . . . 74.219999999999999 111.542 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.69 138.43 14.81 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 121.276 -0.487 . . . . 63.32 113.189 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 mt -128.61 150.35 34.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 122.746 0.419 . . . . 75.129999999999995 110.359 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -128.77 130.33 46.88 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.894 0.378 . . . . 74.349999999999994 111.054 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.794 HD11 HD12 ' A' ' 66' ' ' LEU . 38.8 mt -120.41 117.36 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.999 -0.546 . . . . 63.340000000000003 110.981 -177.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.609 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 68.1 t -118.04 115.84 49.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.489 0.662 . . . . 74.25 111.058 174.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.0 162.93 27.09 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.59 -0.732 . . . . 73.150000000000006 112.59 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.38 139.21 47.72 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.12 0.486 . . . . 72.200000000000003 111.669 -177.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -76.03 108.23 8.79 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.266 -0.425 . . . . 74.150000000000006 111.893 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 17' ' ' GLY . 30.3 mtmm -134.92 127.13 30.05 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.299 -0.41 . . . . 73.400000000000006 111.248 175.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 53.96 -75.37 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.079 0.862 . . . . 74.420000000000002 113.162 167.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -149.04 30.09 1.22 Allowed Glycine 0 CA--C 1.525 0.678 0 CA-C-N 115.245 -0.889 . . . . 73.439999999999998 112.684 -175.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.444 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 59.0 mmm -57.5 -50.67 72.31 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.982 0.42 . . . . 71.219999999999999 111.647 177.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.8 p -56.7 -34.68 67.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 74.519999999999996 111.777 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -74.35 -45.88 44.33 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.05 0.452 . . . . 73.510000000000005 110.793 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.46 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.6 pt20 -67.54 -35.87 79.9 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.093 -0.503 . . . . 73.439999999999998 111.206 -176.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.454 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 12.1 mm -62.97 -53.57 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 111.998 0.369 . . . . 75.439999999999998 111.998 -178.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.4 ' HA ' HD11 ' A' ' 26' ' ' ILE . 10.1 m -72.02 -26.93 62.41 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.393 0.616 . . . . 62.140000000000001 110.152 177.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.37 -43.28 99.56 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 115.735 -0.666 . . . . 75.299999999999997 112.724 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 21' ' ' GLN . 75.2 t -66.31 -37.55 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-O 120.952 0.406 . . . . 75.019999999999996 110.795 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.4 HD11 ' HA ' ' A' ' 23' ' ' THR . 74.0 mt -55.97 -43.31 74.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 121.008 0.432 . . . . 72.230000000000004 111.702 175.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.9 p -66.31 -21.13 66.25 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 120.794 0.331 . . . . 71.420000000000002 111.438 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 57.8 mtpt -77.25 -3.9 42.13 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.268 0.47 . . . . 75.219999999999999 112.268 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -74.14 165.05 25.82 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.466 0.65 . . . . 74.230000000000004 111.945 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -78.57 -33.45 47.65 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.768 -0.651 . . . . 64.349999999999994 111.275 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -78.04 168.39 19.96 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.827 -0.624 . . . . 75.0 112.338 -176.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -104.18 136.46 43.75 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.109 0.48 . . . . 70.140000000000001 111.561 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' B' ' 20' ' ' ASN . 67.6 mt -65.5 131.89 31.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.233 0.539 . . . . 73.150000000000006 111.434 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HG2' ' HA ' ' A' ' 51' ' ' ILE . 8.7 mmm180 -110.23 -34.12 6.46 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.347 0.594 . . . . 75.340000000000003 110.266 176.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.455 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 34.1 m -157.23 132.46 9.02 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.826 -0.625 . . . . 64.230000000000004 110.263 175.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.616 HD13 ' SG ' ' A' ' 47' ' ' CYS . 10.9 tp -134.73 128.88 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 121.028 0.442 . . . . 65.230000000000004 110.578 175.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.482 HG11 HG23 ' B' ' 37' ' ' VAL . 59.8 t -126.15 121.13 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 116.457 -0.338 . . . . 62.109999999999999 110.794 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.478 ' O ' ' HA ' ' B' ' 35' ' ' THR . 9.5 tt -134.48 128.27 33.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.041 -0.412 . . . . 74.219999999999999 110.787 178.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.554 ' N ' HD21 ' A' ' 39' ' ' ASN . 0.0 OUTLIER -152.2 130.98 12.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.459 -0.337 . . . . 75.430000000000007 110.929 174.139 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.69 116.68 33.16 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.096 0.474 . . . . 73.319999999999993 111.686 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.464 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -129.72 149.37 51.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.08 -0.509 . . . . 74.209999999999994 110.017 176.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 57.95 22.4 8.73 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 111.995 0.368 . . . . 73.319999999999993 111.995 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.89 6.61 82.21 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 121.258 -0.496 . . . . 75.219999999999999 113.843 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.8 mt -131.93 148.53 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 122.489 -0.418 . . . . 74.420000000000002 110.89 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.544 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 44.8 p90 -116.16 145.61 42.94 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.078 0.466 . . . . 74.010000000000005 111.475 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -119.26 102.25 8.57 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.998 -0.546 . . . . 74.129999999999995 110.84 174.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.616 ' SG ' HD13 ' A' ' 36' ' ' ILE . 42.5 t -95.53 113.61 25.28 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.098 -0.501 . . . . 74.329999999999998 111.687 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.418 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.0 m-20 -97.94 112.39 24.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.56 0.344 . . . . 73.5 110.814 178.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.9 tp -99.01 131.86 44.75 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.032 0.444 . . . . 73.230000000000004 111.946 -178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.455 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 70.1 mmm -126.26 113.7 17.31 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.884 0.373 . . . . 72.430000000000007 111.308 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.436 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 2.3 pp -140.33 169.08 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 116.191 -0.459 . . . . 75.430000000000007 111.12 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.01 136.22 39.29 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.946 -0.471 . . . . 73.299999999999997 111.947 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.52 141.3 42.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 120.86 0.362 . . . . 72.239999999999995 110.938 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -73.65 -9.6 58.84 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.321 0.86 . . . . 74.510000000000005 113.321 179.516 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.89 154.18 12.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.138 0.422 . . . . 74.109999999999999 112.138 178.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.8 p -63.82 -23.6 67.42 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.528 0.566 . . . . 75.230000000000004 112.528 -175.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.36 -48.18 82.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.902 0.858 . . . . 74.430000000000007 109.611 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -57.71 -33.18 68.14 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.447 -1.251 . . . . 75.510000000000005 111.572 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.48 HD11 ' HB3' ' A' ' 6' ' ' ALA . 33.1 tp -70.3 -48.2 57.71 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.779 0.323 . . . . 75.209999999999994 111.618 178.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 63.4 p -61.81 -34.83 76.62 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.92 0.39 . . . . 74.019999999999996 111.385 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.8 m -57.76 -41.27 81.61 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.397 -0.365 . . . . 73.040000000000006 111.459 175.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.42 -35.13 79.92 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.447 -0.342 . . . . 73.0 111.696 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.9 mtt -54.66 -44.53 73.37 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.966 0.412 . . . . 74.030000000000001 110.986 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.543 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 32.2 t70 -60.84 -54.33 46.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.054 -0.521 . . . . 74.310000000000002 111.179 176.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -51.04 -36.97 42.59 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.715 -0.675 . . . . 73.519999999999996 111.968 -176.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.794 HD12 HD11 ' A' ' 10' ' ' ILE . 43.5 mt -83.76 -27.69 28.7 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.083 0.468 . . . . 73.140000000000001 111.524 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -79.82 -9.88 59.71 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 111.998 0.37 . . . . 74.120000000000005 111.998 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 31.5 mmmt -71.75 -5.51 34.57 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 122.089 -0.382 . . . . 75.530000000000001 111.974 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.92 121.31 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 120.717 0.294 . . . . 75.329999999999998 111.05 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -59.82 -28.82 67.8 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.546 0.573 . . . . 73.310000000000002 112.546 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.01 -14.88 78.6 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.166 -0.54 . . . . 53.539999999999999 114.08 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.54 141.08 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 117.246 0.523 . . . . 63.219999999999999 111.179 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -123.74 -3.59 8.22 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.803 0.668 . . . . 71.439999999999998 112.803 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.609 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 7.3 p -141.81 125.45 16.85 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.913 0.387 . . . . 75.430000000000007 111.156 174.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 t -141.2 101.91 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.561 -0.533 . . . . 75.430000000000007 109.561 172.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -131.19 177.89 7.12 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 111.868 0.322 . . . . 73.25 111.868 -172.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 77' ' ' ARG . 34.5 ttt180 -92.85 147.27 22.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.164 0.507 . . . . 74.329999999999998 111.499 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -95.27 114.88 26.72 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.864 -0.607 . . . . 70.219999999999999 110.714 173.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.2 t -81.6 -48.67 11.47 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.974 0.416 . . . . 65.319999999999993 111.797 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -85.99 114.75 23.13 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.42 -0.354 . . . . 75.329999999999998 110.982 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.1 mt -108.23 124.74 50.75 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.803 0.811 . . . . 74.420000000000002 110.99 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.489 ' CD ' ' H ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -84.35 29.53 0.58 Allowed 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.885 -1.052 . . . . 63.420000000000002 111.141 -177.195 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -96.79 11.21 36.45 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.927 0.714 . . . . 75.319999999999993 112.927 -170.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -69.98 111.72 5.88 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 109.377 -0.601 . . . . 71.420000000000002 109.377 174.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -51.92 142.19 16.09 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.536 0.569 . . . . 75.409999999999997 112.536 -169.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -66.71 105.9 1.68 Allowed 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.285 0.846 . . . . 75.310000000000002 113.285 -171.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -72.37 -32.7 66.67 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.556 -0.905 . . . . 75.450000000000003 108.556 166.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.4 m80 . . . . . 0 C--O 1.254 1.328 0 CA-C-N 114.705 -1.134 . . . . 75.120000000000005 110.243 170.482 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 111.853 0.316 . . . . 75.120000000000005 111.853 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 28.5 m -69.05 -17.69 63.92 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.216 0.532 . . . . 73.099999999999994 111.024 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.469 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 0.7 OUTLIER -55.78 137.23 50.27 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.634 -0.712 . . . . 74.540000000000006 111.871 -177.065 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -140.46 156.97 46.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.792 0.329 . . . . 71.340000000000003 110.565 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 37.4 tp -76.78 108.17 9.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.823 0.344 . . . . 73.409999999999997 110.971 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.461 ' HB1' HD11 ' B' ' 59' ' ' LEU . . . -100.71 153.21 19.63 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.468 -0.333 . . . . 62.350000000000001 111.307 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.93 135.45 8.26 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 120.876 -0.678 . . . . 64.540000000000006 114.051 -176.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 57.9 mt -127.51 126.61 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 122.838 0.455 . . . . 74.299999999999997 110.287 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.495 ' HB2' HD21 ' B' ' 78' ' ' LEU . 34.1 ttm180 -101.91 118.54 37.14 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.107 0.48 . . . . 73.310000000000002 111.307 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.554 HD12 HD12 ' B' ' 66' ' ' LEU . 49.1 mt -104.92 118.0 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.868 -0.605 . . . . 75.430000000000007 111.204 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.579 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 77.1 t -119.19 114.26 44.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.411 0.624 . . . . 73.129999999999995 110.895 175.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.26 170.93 23.91 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 115.647 -0.706 . . . . 71.019999999999996 112.444 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -73.89 128.67 36.14 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.252 0.549 . . . . 71.030000000000001 112.054 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.88 100.67 2.47 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.281 0.562 . . . . 74.439999999999998 111.45 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -120.41 179.37 4.33 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.912 -0.586 . . . . 74.040000000000006 112.394 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -74.94 43.16 0.19 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.696 0.999 . . . . 73.200000000000003 113.696 -171.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.3 -23.02 0.18 Allowed Glycine 0 CA--C 1.527 0.824 0 C-N-CA 121.201 -0.523 . . . . 64.219999999999999 113.469 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.446 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 35.3 mmm -53.31 -50.74 64.3 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.223 0.823 . . . . 65.099999999999994 113.223 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 50.6 p -56.65 -37.8 71.29 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.086 0.469 . . . . 64.109999999999999 111.907 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.48 ' HA ' HD12 ' A' ' 33' ' ' ILE . 25.3 t-20 -71.74 -45.94 60.14 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.979 -0.555 . . . . 64.310000000000002 110.643 -178.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.481 ' O ' HG22 ' B' ' 25' ' ' VAL . 7.9 pt20 -67.57 -38.94 84.82 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.087 -0.506 . . . . 75.439999999999998 111.426 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.428 ' O ' HG13 ' B' ' 26' ' ' ILE . 17.6 mm -61.1 -54.84 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 112.166 0.432 . . . . 72.230000000000004 112.166 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 14.0 m -73.82 -27.78 61.28 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.125 0.488 . . . . 75.140000000000001 110.636 -177.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -62.68 -52.2 50.35 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.212 -0.518 . . . . 74.219999999999999 112.549 174.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.481 HG22 ' O ' ' B' ' 21' ' ' GLN . 95.7 t -59.04 -37.92 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-O 120.893 0.378 . . . . 72.349999999999994 111.524 177.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.444 HG22 HD11 ' B' ' 49' ' ' LEU . 73.0 mt -57.56 -45.95 86.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 116.256 -0.429 . . . . 71.209999999999994 111.947 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 51.4 p -62.52 -20.85 65.03 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.835 0.35 . . . . 73.519999999999996 111.216 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 45.8 mtpt -82.33 4.77 22.54 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.359 0.503 . . . . 71.239999999999995 112.359 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -73.2 162.64 29.17 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.434 0.635 . . . . 73.430000000000007 112.055 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.48 -29.99 70.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.704 -0.68 . . . . 64.129999999999995 111.034 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.2 t -89.0 168.36 12.42 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.385 -0.825 . . . . 75.099999999999994 112.95 -172.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -93.8 125.37 38.39 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.674 -0.694 . . . . 73.040000000000006 111.114 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.484 ' HA ' HG21 ' B' ' 51' ' ' ILE . 2.2 mp -72.65 100.28 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.377 0.608 . . . . 73.219999999999999 110.6 177.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.432 ' HD3' ' HB1' ' A' ' 40' ' ' ALA . 5.2 tpp180 -80.64 -29.65 36.7 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.207 0.527 . . . . 75.209999999999994 110.898 -178.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 33.7 m -156.04 142.69 18.69 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.974 -0.557 . . . . 73.25 110.555 176.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.549 ' HA ' ' O ' ' B' ' 48' ' ' ASN . 20.4 tt -158.86 129.74 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.018 0.437 . . . . 74.019999999999996 111.165 173.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.482 HG23 HG11 ' A' ' 37' ' ' VAL . 64.3 t -132.82 105.03 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 116.504 -0.316 . . . . 75.109999999999999 111.552 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.596 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.6 tt -103.28 115.66 30.99 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 110.153 -0.314 . . . . 75.450000000000003 110.153 176.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -133.74 137.6 45.3 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.803 0.335 . . . . 73.219999999999999 110.922 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -102.25 123.11 45.5 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.176 0.512 . . . . 73.409999999999997 111.435 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.82 135.51 45.7 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.092 -0.504 . . . . 72.030000000000001 110.652 177.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 18.4 t70 65.72 13.22 8.83 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.013 -0.54 . . . . 74.120000000000005 112.03 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.62 -7.6 50.33 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 121.38 -0.438 . . . . 75.200000000000003 113.685 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -117.87 148.76 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 122.444 -0.444 . . . . 74.549999999999997 110.638 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.539 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 33.4 p90 -115.01 140.92 48.66 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.092 0.472 . . . . 71.409999999999997 111.677 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.3 t -116.13 104.88 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.017 -0.538 . . . . 74.420000000000002 110.907 175.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.4 103.07 15.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.057 0.456 . . . . 75.049999999999997 110.843 176.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.549 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 2.9 m-20 -83.41 105.35 14.28 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.266 -0.424 . . . . 74.400000000000006 110.655 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.444 HD11 HG22 ' B' ' 26' ' ' ILE . 33.6 tp -98.1 130.92 44.87 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.024 0.44 . . . . 72.120000000000005 111.899 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.535 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 60.4 mmm -130.82 113.46 14.11 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.246 -0.433 . . . . 74.0 111.306 178.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.484 HG21 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -138.35 158.79 31.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.0 0.429 . . . . 74.340000000000003 111.896 -177.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -90.38 131.67 36.03 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.879 0.371 . . . . 73.540000000000006 111.874 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 3.7 m -129.61 152.58 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 116.618 -0.265 . . . . 74.019999999999996 110.865 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.631 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 19.9 ptpt -94.01 -17.06 23.29 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.547 0.213 . . . . 74.150000000000006 111.428 175.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.631 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 30.2 m-80 -141.73 146.43 36.02 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.838 0.351 . . . . 74.439999999999998 111.219 176.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.8 p -61.36 -24.95 66.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.955 0.407 . . . . 74.230000000000004 111.227 173.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -56.11 -46.11 79.23 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.121 0.486 . . . . 71.129999999999995 110.878 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -57.34 -45.7 84.06 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.974 -0.557 . . . . 75.310000000000002 110.9 175.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.461 HD11 ' HB1' ' B' ' 6' ' ' ALA . 49.9 tp -57.04 -47.23 81.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.247 -0.433 . . . . 72.530000000000001 111.709 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.9 p -71.93 -27.73 63.0 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.912 0.387 . . . . 73.239999999999995 111.874 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 62.4 m -68.98 -42.29 76.73 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.701 0.286 . . . . 74.230000000000004 111.574 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 68.6 mt -59.78 -39.67 85.69 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.622 0.248 . . . . 70.409999999999997 111.283 177.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.497 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 61.8 mtt -51.48 -49.02 62.62 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.297 -0.41 . . . . 75.540000000000006 110.766 175.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 19.5 t70 -55.12 -52.65 62.59 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.873 -0.603 . . . . 71.409999999999997 111.153 177.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.694 ' HB3' ' HZ3' ' B' ' 65' ' ' LYS . 8.4 mtpm? -53.35 -34.49 57.77 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.237 0.541 . . . . 75.129999999999995 111.598 177.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.554 HD12 HD12 ' B' ' 10' ' ' ILE . 53.3 mt -81.77 -30.08 32.51 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.966 -0.561 . . . . 73.25 111.752 179.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' B' ' 63' ' ' MET . 51.9 mtt180 -70.65 -14.95 62.67 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.718 0.266 . . . . 74.109999999999999 111.718 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.583 ' HB3' ' HZ3' ' B' ' 68' ' ' LYS . 1.5 mmmp? -72.46 -8.85 57.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.969 0.359 . . . . 75.099999999999994 111.969 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.8 t -86.95 119.59 35.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-O 121.207 0.527 . . . . 74.329999999999998 111.596 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -55.29 -33.7 63.48 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.007 0.743 . . . . 73.299999999999997 113.007 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.2 -9.63 86.85 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 121.075 -0.583 . . . . 72.019999999999996 114.553 -176.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 96.6 t -99.94 137.58 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 117.789 0.795 . . . . 74.329999999999998 111.786 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.99 -19.81 9.63 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.497 0.554 . . . . 73.049999999999997 112.497 178.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.579 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.5 p -126.75 118.94 25.73 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.185 0.517 . . . . 64.239999999999995 111.998 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 34.6 t -128.62 103.44 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.848 -0.797 . . . . 62.25 108.848 169.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -131.2 156.66 44.97 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.96 0.726 . . . . 72.450000000000003 112.96 -167.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.444 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 57.0 ttp85 -85.44 127.62 34.45 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.7 -0.682 . . . . 75.0 111.677 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.495 HD21 ' HB2' ' B' ' 9' ' ' ARG . 80.9 mt -77.87 99.25 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.047 -0.524 . . . . 73.230000000000004 110.317 173.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 43.4 t -69.06 -57.91 4.79 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.186 0.517 . . . . 73.140000000000001 111.297 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . 0.536 ' N ' HD21 ' B' ' 80' ' ' ASN . 0.8 OUTLIER -93.59 97.17 10.32 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.288 -0.414 . . . . 75.219999999999999 110.139 175.386 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.427 HD23 ' HE2' ' B' ' 50' ' ' MET . 56.5 mt -64.22 142.28 58.47 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.799 0.809 . . . . 74.230000000000004 112.768 -175.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -79.93 28.84 0.28 Allowed 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.14 -0.936 . . . . 63.140000000000001 111.227 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.491 ' NE2' ' HE1' ' B' ' 50' ' ' MET . 29.5 m-70 -108.47 -27.9 9.66 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.724 -0.671 . . . . 74.340000000000003 111.907 -173.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -74.94 35.6 0.11 Allowed 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.635 0.606 . . . . 64.310000000000002 112.635 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -78.2 105.89 9.74 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.504 -0.554 . . . . 74.109999999999999 109.504 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -55.84 80.61 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.981 1.474 . . . . 60.009999999999998 114.981 -165.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 50.1 -176.73 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.93 1.826 . . . . 73.209999999999994 115.93 165.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 8.1 m80 . . . . . 0 C--O 1.253 1.251 0 CA-C-N 114.469 -1.242 . . . . 75.329999999999998 110.467 173.423 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.2 mtp . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 112.117 0.414 . . . . 75.340000000000003 112.117 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.1 m -130.46 -28.96 2.02 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.099 0.476 . . . . 74.540000000000006 110.692 173.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 1.5 m-20 -60.77 150.01 33.86 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.698 -0.683 . . . . 73.310000000000002 112.462 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.407 ' HE2' ' HA ' ' A' ' 55' ' ' ASN . 52.0 p90 -142.23 163.94 31.51 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.993 -0.548 . . . . 73.349999999999994 110.797 176.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.775 HD23 HH11 ' A' ' 34' ' ' ARG . 55.8 tp -81.64 107.7 14.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.185 0.517 . . . . 74.519999999999996 110.341 176.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.457 ' HB2' HD22 ' A' ' 59' ' ' LEU . . . -96.85 159.13 15.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.687 -0.688 . . . . 73.349999999999994 112.094 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -134.53 143.54 15.24 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 115.983 -0.553 . . . . 65.129999999999995 112.802 178.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.498 HD11 HD21 ' A' ' 49' ' ' LEU . 53.6 mt -129.61 140.67 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 122.644 0.378 . . . . 74.140000000000001 110.782 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -115.9 126.81 54.4 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.788 0.327 . . . . 62.210000000000001 111.339 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.763 HD12 HD13 ' A' ' 66' ' ' LEU . 40.5 mt -123.6 117.31 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 116.24 -0.437 . . . . 74.420000000000002 111.236 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.629 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 95.9 t -120.23 120.44 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.43 0.633 . . . . 75.239999999999995 111.232 174.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.3 163.07 27.54 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.751 -0.659 . . . . 73.019999999999996 112.886 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.08 134.21 52.35 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 121.207 0.527 . . . . 74.120000000000005 111.8 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -70.65 110.58 5.56 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.123 -0.49 . . . . 54.520000000000003 111.552 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.463 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 14.6 mmmm -121.2 -178.11 3.69 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.54 0.686 . . . . 72.140000000000001 112.733 -178.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -42.94 -30.77 0.44 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.339 -1.301 . . . . 71.0 114.002 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.36 36.8 0.4 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.383 -0.913 . . . . 73.25 113.747 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.465 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 50.2 mmm -73.59 -50.84 19.16 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 117.231 0.515 . . . . 73.129999999999995 111.979 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.7 p -61.18 -29.31 69.72 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.221 0.534 . . . . 73.109999999999999 111.109 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -76.44 -48.74 18.64 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.945 -0.571 . . . . 74.420000000000002 110.893 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.465 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.4 pt20 -68.77 -38.56 80.15 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.386 -0.37 . . . . 74.319999999999993 111.822 -176.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 22' ' ' ILE . 11.2 mm -56.32 -54.33 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.927 0.394 . . . . 74.019999999999996 111.858 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.427 HG23 HG23 ' B' ' 23' ' ' THR . 13.7 m -74.44 -27.19 60.49 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.209 0.528 . . . . 75.310000000000002 110.29 178.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.45 -38.32 93.35 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.214 -0.517 . . . . 71.209999999999994 112.475 172.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 21' ' ' GLN . 96.1 t -70.84 -40.21 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 120.91 0.386 . . . . 75.200000000000003 110.7 174.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.447 HG22 HD13 ' A' ' 49' ' ' LEU . 65.1 mt -56.14 -45.2 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 112.0 0.37 . . . . 71.019999999999996 112.0 177.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.4 p -59.21 -21.72 59.92 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 120.777 0.322 . . . . 72.519999999999996 111.702 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -75.49 -11.88 60.12 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.234 0.457 . . . . 73.329999999999998 112.234 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -65.63 161.65 20.01 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.949 0.88 . . . . 71.409999999999997 113.276 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -24.42 54.36 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.675 -1.148 . . . . 73.439999999999998 111.142 -178.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -91.28 179.13 5.78 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.828 -0.623 . . . . 70.540000000000006 112.018 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -108.07 132.6 53.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.455 -0.338 . . . . 72.200000000000003 111.065 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.474 ' HA ' HG23 ' A' ' 51' ' ' ILE . 67.2 mt -74.68 108.22 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.77 0.319 . . . . 74.549999999999997 111.383 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.775 HH11 HD23 ' A' ' 5' ' ' LEU . 35.8 ttt180 -80.93 -30.71 35.27 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.144 0.497 . . . . 72.209999999999994 110.351 177.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.537 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 87.3 m -159.6 132.83 6.99 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.03 -0.532 . . . . 74.420000000000002 111.147 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.725 HD12 ' SG ' ' A' ' 47' ' ' CYS . 10.4 tp -132.56 128.72 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 120.797 0.332 . . . . 75.310000000000002 110.176 173.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -135.4 104.74 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 120.93 0.395 . . . . 64.420000000000002 111.359 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.674 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.7 tt -114.7 129.17 56.65 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 110.083 -0.34 . . . . 73.430000000000007 110.083 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -138.46 139.51 38.87 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.755 0.312 . . . . 74.310000000000002 111.229 176.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.489 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -101.93 122.59 44.32 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.279 0.562 . . . . 71.019999999999996 111.521 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HD3' ' H ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -140.35 142.13 35.6 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.882 -0.599 . . . . 74.299999999999997 110.593 178.629 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.67 12.74 9.0 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.147 0.498 . . . . 73.439999999999998 111.515 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.27 1.09 64.87 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 121.316 -0.469 . . . . 63.119999999999997 113.213 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.8 mt -123.16 161.64 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 109.635 -0.506 . . . . 75.0 109.635 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 34.8 p90 -124.68 148.86 47.73 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.999 -0.438 . . . . 72.430000000000007 111.772 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.45 ' HB ' HG21 ' A' ' 11' ' ' VAL . 2.3 t -122.27 114.13 20.39 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.078 -0.51 . . . . 65.040000000000006 111.065 174.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.725 ' SG ' HD12 ' A' ' 36' ' ' ILE . 51.9 t -95.54 114.28 26.03 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.355 -0.384 . . . . 73.439999999999998 110.95 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.417 ' O ' HD11 ' A' ' 36' ' ' ILE . 2.4 m-20 -99.58 106.68 18.69 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.318 -0.401 . . . . 72.109999999999999 110.737 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.498 HD21 HD11 ' A' ' 8' ' ' ILE . 56.0 tp -98.41 129.82 45.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.952 0.406 . . . . 73.299999999999997 112.05 -177.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.537 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 66.5 mmm -121.81 111.94 17.75 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.922 0.392 . . . . 61.530000000000001 110.983 176.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.474 HG23 ' HA ' ' A' ' 33' ' ' ILE . 2.3 pp -141.42 159.29 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.27 -0.423 . . . . 73.430000000000007 111.822 -176.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.416 ' CE2' ' HD2' ' A' ' 34' ' ' ARG . 22.0 m-85 -88.95 135.25 33.64 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.828 0.347 . . . . 75.530000000000001 111.667 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 8.6 m -133.68 150.03 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 116.512 -0.313 . . . . 74.420000000000002 111.182 179.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -59.49 -43.67 93.26 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.011 0.434 . . . . 72.120000000000005 111.562 175.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.407 ' HA ' ' HE2' ' A' ' 4' ' ' PHE . 2.3 p-10 -166.1 167.24 16.53 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.212 -0.449 . . . . 63.130000000000003 111.083 178.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.9 p -51.59 -33.66 33.73 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.568 0.951 . . . . 62.130000000000003 113.568 -172.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.15 -45.1 83.86 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.599 0.714 . . . . 74.219999999999999 110.828 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -58.71 -40.64 84.26 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.511 -0.768 . . . . 64.439999999999998 111.232 174.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.457 HD22 ' HB2' ' A' ' 6' ' ' ALA . 53.7 tp -65.64 -44.94 84.9 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.954 -0.566 . . . . 64.140000000000001 111.932 -178.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.2 p -60.93 -36.02 78.23 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.83 0.348 . . . . 75.530000000000001 111.272 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.7 m -57.36 -44.94 84.78 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.292 -0.413 . . . . 75.140000000000001 111.504 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.8 mt -60.63 -48.3 82.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.894 0.378 . . . . 74.510000000000005 111.508 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.62 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 74.4 mtm -55.35 -43.5 75.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.399 -0.364 . . . . 73.209999999999994 111.282 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.64 -46.29 84.37 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.971 0.415 . . . . 74.530000000000001 110.814 176.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -55.98 -33.13 64.54 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.116 -0.493 . . . . 74.340000000000003 111.37 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.763 HD13 HD12 ' A' ' 10' ' ' ILE . 41.0 mt -80.53 -26.61 37.98 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.23 -0.441 . . . . 75.239999999999995 111.942 177.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 63' ' ' MET . 80.7 mtp180 -70.63 -7.95 48.09 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.94 0.4 . . . . 74.319999999999993 111.678 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 68' ' ' LYS . 11.1 mmpt? -72.71 -18.36 61.54 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.555 0.576 . . . . 74.329999999999998 112.555 -178.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.401 HG23 HD13 ' A' ' 22' ' ' ILE . 93.6 t -79.76 116.78 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.986 0.422 . . . . 73.230000000000004 111.658 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -32.73 38.44 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.245 0.832 . . . . 75.510000000000005 113.245 -177.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.58 -21.76 79.36 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.148 -0.548 . . . . 63.020000000000003 113.901 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.2 t -85.15 139.8 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 117.334 0.567 . . . . 64.540000000000006 112.075 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -122.56 -11.4 8.27 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.393 0.516 . . . . 70.109999999999999 112.393 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.629 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 7.6 p -132.59 119.41 20.44 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.096 0.474 . . . . 72.450000000000003 111.297 175.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.71 105.91 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.221 -0.445 . . . . 74.25 109.809 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -136.82 154.32 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.673 0.62 . . . . 75.519999999999996 112.673 -174.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HG3' HD23 ' A' ' 59' ' ' LEU . 42.1 ttp85 -80.71 142.63 33.68 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.415 -0.811 . . . . 74.430000000000007 111.718 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.69 116.87 29.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.338 -0.392 . . . . 75.430000000000007 110.627 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.1 p -82.93 -59.59 2.44 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.883 0.373 . . . . 71.239999999999995 111.739 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.16 119.42 26.42 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.204 -0.453 . . . . 72.219999999999999 111.508 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.5 mt -103.26 142.12 34.73 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.092 0.472 . . . . 64.019999999999996 111.825 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -89.35 7.65 34.69 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.838 -0.619 . . . . 73.340000000000003 111.33 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -75.59 86.46 2.67 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.06 -0.518 . . . . 72.150000000000006 111.749 -174.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -86.28 113.59 22.4 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.644 -0.253 . . . . 52.130000000000003 110.653 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -129.34 29.51 5.1 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.277 0.561 . . . . 71.439999999999998 111.099 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.506 ' CE1' ' HB3' ' A' ' 88' ' ' HIS . 46.8 t-80 -76.21 108.9 9.46 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.781 -0.645 . . . . 72.349999999999994 110.945 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -74.38 74.59 1.89 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.243 0.544 . . . . 75.340000000000003 111.732 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.506 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 57.3 t-80 . . . . . 0 C--O 1.252 1.19 0 CA-C-N 115.368 -0.833 . . . . 74.329999999999998 110.161 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptp . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.744 0.307 . . . . 72.530000000000001 111.613 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -82.27 -28.88 31.54 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.171 0.51 . . . . 71.010000000000005 111.183 173.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.488 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 4.2 m-20 -67.18 136.9 55.77 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.727 -0.669 . . . . 70.230000000000004 112.393 -177.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -123.93 154.49 39.68 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.16 -0.473 . . . . 73.109999999999999 109.793 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.3 tp -75.94 103.89 6.22 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.257 0.551 . . . . 72.439999999999998 111.419 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.18 151.66 19.6 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.887 -0.597 . . . . 75.519999999999996 111.944 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.47 129.58 6.29 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 121.375 -0.44 . . . . 74.439999999999998 113.098 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.51 HD12 HD22 ' B' ' 49' ' ' LEU . 45.9 mt -115.07 148.7 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 120.72 0.295 . . . . 72.409999999999997 111.367 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -120.96 118.18 29.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.707 0.289 . . . . 73.420000000000002 110.488 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.504 HD12 HD12 ' B' ' 66' ' ' LEU . 39.2 mt -118.43 118.49 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-N 116.522 -0.308 . . . . 74.140000000000001 111.303 -175.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.55 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 81.0 t -118.34 116.85 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.405 0.622 . . . . 63.229999999999997 111.569 176.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.94 167.16 24.96 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.552 -0.749 . . . . 73.340000000000003 112.685 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.417 ' CD ' ' HZ3' ' B' ' 15' ' ' LYS . 18.1 pt-20 -76.84 143.27 39.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.736 0.643 . . . . 74.049999999999997 112.736 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.13 83.51 0.34 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.019 -0.537 . . . . 75.310000000000002 112.318 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.417 ' HZ3' ' CD ' ' B' ' 13' ' ' GLU . 37.1 mttp -104.15 163.26 12.52 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.615 0.969 . . . . 73.400000000000006 113.615 172.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -40.37 -35.57 0.44 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 113.561 -1.654 . . . . 61.030000000000001 114.488 -175.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -136.91 7.67 3.84 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.68 -0.772 . . . . 70.420000000000002 113.907 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.555 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 25.8 mmm -62.31 -51.01 69.35 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.364 0.505 . . . . 72.109999999999999 112.364 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 47.1 p -60.72 -36.05 77.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.883 0.373 . . . . 73.120000000000005 111.736 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -72.43 -45.64 58.7 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.135 0.493 . . . . 73.200000000000003 110.797 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.438 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.5 pt20 -69.47 -34.09 73.84 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.952 -0.567 . . . . 74.439999999999998 111.646 -176.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.403 ' O ' HG13 ' B' ' 26' ' ' ILE . 9.5 mm -62.29 -53.95 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 111.938 0.347 . . . . 65.019999999999996 111.938 -178.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.427 HG23 HG23 ' A' ' 23' ' ' THR . 4.2 m -73.44 -27.71 61.57 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.222 0.534 . . . . 73.109999999999999 110.265 178.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.496 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -61.72 -44.04 98.44 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.8 -0.636 . . . . 61.240000000000002 112.802 174.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 21' ' ' GLN . 73.2 t -68.62 -35.85 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 122.443 -0.445 . . . . 62.109999999999999 110.964 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.409 HG23 HD11 ' B' ' 49' ' ' LEU . 74.3 mt -59.31 -44.76 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 121.036 0.445 . . . . 74.310000000000002 111.474 175.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 55.5 p -60.94 -22.5 64.47 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.709 0.29 . . . . 73.099999999999994 111.295 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 61.0 mttp -82.89 3.81 28.21 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.524 0.565 . . . . 72.519999999999996 112.524 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -74.67 167.34 21.97 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.256 0.551 . . . . 73.239999999999995 112.112 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.76 -23.41 61.59 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.372 0.606 . . . . 71.400000000000006 111.239 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.53 HG22 HD11 ' B' ' 51' ' ' ILE . 7.8 t -91.85 156.57 17.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.731 -0.668 . . . . 74.109999999999999 112.396 -173.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -95.28 117.35 30.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.902 -0.59 . . . . 73.219999999999999 111.193 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.435 ' HA ' HG21 ' B' ' 51' ' ' ILE . 64.4 mt -52.85 108.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 116.104 -0.498 . . . . 73.329999999999998 111.571 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -83.4 -40.49 19.28 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.352 0.596 . . . . 73.129999999999995 110.307 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.493 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 88.5 m -152.16 132.35 13.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.743 -0.662 . . . . 70.209999999999994 110.702 173.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.674 HG22 ' HB3' ' A' ' 38' ' ' LEU . 9.8 tp -134.68 135.16 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.89 0.376 . . . . 61.030000000000001 110.522 176.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.522 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 85.4 t -127.7 145.35 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.344 -0.389 . . . . 65.219999999999999 110.584 178.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' A' ' 35' ' ' THR . 9.1 tt -144.29 110.61 5.51 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.491 -0.559 . . . . 74.219999999999999 109.491 170.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 1.3 p-10 -124.46 119.7 29.91 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.428 0.632 . . . . 74.340000000000003 111.703 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.572 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -104.56 132.3 50.96 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.439 -0.8 . . . . 74.329999999999998 111.952 -178.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -144.65 145.57 31.82 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.966 -0.561 . . . . 71.420000000000002 111.162 175.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 73.66 -32.24 0.24 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.62 0.768 . . . . 64.319999999999993 112.784 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.99 1.52 1.32 Allowed Glycine 0 CA--C 1.529 0.907 0 N-CA-C 112.176 -0.37 . . . . 70.340000000000003 112.176 -172.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 mt -126.36 155.97 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.081 0.552 . . . . 75.530000000000001 110.129 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.572 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 40.6 p90 -126.38 145.46 50.45 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.182 0.515 . . . . 74.200000000000003 111.546 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.499 ' HB ' HG21 ' B' ' 11' ' ' VAL . 0.9 OUTLIER -116.28 108.48 16.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.278 0.561 . . . . 73.349999999999994 111.581 174.5 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.549 ' SG ' HD12 ' B' ' 36' ' ' ILE . 43.6 t -89.03 123.07 33.0 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.31 -0.404 . . . . 74.510000000000005 111.292 176.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.522 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 15.3 m120 -104.74 112.15 25.14 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.818 0.342 . . . . 74.239999999999995 110.863 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.51 HD22 HD12 ' B' ' 8' ' ' ILE . 43.2 tp -99.11 126.0 44.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.058 0.392 . . . . 74.140000000000001 112.058 -177.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.431 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 62.0 mmm -123.29 106.96 11.15 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.959 0.409 . . . . 72.430000000000007 111.357 176.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.53 HD11 HG22 ' B' ' 31' ' ' THR . 2.7 pp -146.15 172.54 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.187 -0.46 . . . . 73.400000000000006 111.621 -177.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -97.01 136.12 38.03 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.059 0.457 . . . . 73.030000000000001 112.013 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 11.1 m -128.1 141.35 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.627 177.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' B' ' 54' ' ' LYS . 20.7 ptmt -68.37 -24.63 64.81 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.336 0.495 . . . . 74.510000000000005 112.336 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.42 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 0.2 OUTLIER -165.97 163.24 18.42 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.007 0.373 . . . . 63.549999999999997 112.007 178.234 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -55.16 -35.28 64.6 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.214 0.82 . . . . 74.129999999999995 113.214 -175.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.88 -36.91 85.89 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.222 0.534 . . . . 74.510000000000005 110.548 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 51.2 tptt -58.02 -44.4 87.26 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.986 -0.552 . . . . 70.200000000000003 110.711 173.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.04 -47.56 84.17 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.03 -0.532 . . . . 74.349999999999994 111.26 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' THR . . . . . 0.443 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 81.8 p -65.58 -28.32 69.06 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.925 0.393 . . . . 71.120000000000005 111.224 178.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 84.9 m -67.2 -41.22 86.19 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.916 0.389 . . . . 75.319999999999993 110.729 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.8 -39.45 88.98 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.158 -0.474 . . . . 73.420000000000002 111.11 176.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.598 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 64.0 mtt -51.04 -54.86 20.96 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.234 -0.439 . . . . 74.049999999999997 110.868 176.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -55.93 -43.21 77.19 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.926 -0.579 . . . . 73.310000000000002 111.284 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.497 ' HZ2' ' HB3' ' B' ' 65' ' ' LYS . 8.2 mtpm? -58.44 -37.01 74.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.217 0.532 . . . . 73.120000000000005 111.158 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.504 HD12 HD12 ' B' ' 10' ' ' ILE . 54.8 mt -79.3 -29.33 42.39 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.888 -0.596 . . . . 72.150000000000006 111.513 178.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' B' ' 63' ' ' MET . 70.7 mtp180 -73.74 -9.58 58.8 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.78 0.289 . . . . 74.400000000000006 111.78 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -72.32 -14.36 61.72 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 111.887 0.329 . . . . 72.230000000000004 111.887 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 50.5 t -82.22 120.63 34.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.073 0.463 . . . . 73.140000000000001 111.444 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -56.35 -34.71 66.87 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.772 0.656 . . . . 64.040000000000006 112.772 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.555 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -75.76 -16.28 80.76 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 114.344 0.497 . . . . 63.329999999999998 114.344 -175.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 59.0 t -91.16 145.89 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 117.672 0.736 . . . . 74.120000000000005 111.462 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.41 -27.29 4.46 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.248 0.462 . . . . 63.140000000000001 112.248 174.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.55 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.3 p -118.85 126.29 51.47 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.083 0.401 . . . . 74.430000000000007 112.083 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' B' ' 67' ' ' ARG . 97.3 t -133.8 104.79 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 109.842 -0.429 . . . . 74.209999999999994 109.842 174.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -124.07 164.43 19.43 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.584 0.706 . . . . 72.409999999999997 112.812 -169.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.425 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 24.1 ttp85 -101.46 117.53 35.13 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.506 -0.77 . . . . 70.420000000000002 110.664 173.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.66 -53.89 29.08 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.083 0.401 . . . . 74.400000000000006 112.083 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' SER . . . . . 0.401 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 28.5 p 65.37 -62.42 0.22 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.887 0.875 . . . . 75.239999999999995 112.137 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -60.8 103.75 0.29 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.924 0.392 . . . . 75.519999999999996 111.096 174.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 79' ' ' SER . 78.8 mt -114.8 141.93 47.22 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.061 0.458 . . . . 63.539999999999999 111.868 -177.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -102.94 11.08 37.86 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.057 0.456 . . . . 75.120000000000005 110.997 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -59.67 -44.55 93.54 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.482 0.549 . . . . 62.210000000000001 112.482 -175.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -74.23 70.57 1.64 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.317 0.58 . . . . 63.229999999999997 110.065 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -62.14 90.88 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.624 -0.716 . . . . 73.120000000000005 111.355 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -68.33 106.64 2.55 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.73 0.641 . . . . 72.129999999999995 112.73 -176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -111.0 -34.79 6.11 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.904 -0.589 . . . . 74.409999999999997 110.1 169.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.611 -0.709 . . . . 74.420000000000002 111.286 177.865 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 120.809 0.338 . . . . 72.530000000000001 111.756 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 47.3 p -140.25 172.46 12.72 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.283 -0.417 . . . . 75.200000000000003 111.043 175.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -137.86 137.61 38.27 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.965 -0.383 . . . . 74.420000000000002 109.965 169.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -130.7 154.36 48.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.164 0.507 . . . . 74.409999999999997 110.973 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.43 HD21 ' CE1' ' A' ' 83' ' ' HIS . 52.7 tp -80.85 103.05 10.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.776 -0.647 . . . . 72.120000000000005 110.462 178.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.489 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -93.09 138.56 31.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.858 -0.61 . . . . 65.040000000000006 111.896 -176.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.28 147.51 18.92 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 121.118 -0.563 . . . . 75.140000000000001 113.192 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.4 mt -133.32 140.09 47.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 O-C-N 122.663 -0.316 . . . . 74.140000000000001 110.503 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HB2' HD23 ' A' ' 78' ' ' LEU . 79.6 ttt180 -116.18 122.99 46.68 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.131 -0.355 . . . . 74.019999999999996 110.947 175.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.505 HD11 HD13 ' A' ' 66' ' ' LEU . 34.2 mt -111.27 116.77 53.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 116.326 -0.397 . . . . 74.209999999999994 110.878 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.621 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 69.3 t -121.03 117.87 54.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 121.773 0.797 . . . . 74.140000000000001 111.306 176.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.47 164.48 27.69 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 115.335 -0.848 . . . . 75.049999999999997 112.036 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.85 135.41 46.6 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 117.141 0.471 . . . . 75.129999999999995 111.27 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.22 90.9 0.15 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.013 0.435 . . . . 75.239999999999995 111.52 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.587 ' O ' ' N ' ' A' ' 17' ' ' GLY . 31.5 mmmt -103.35 127.79 50.6 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.324 -0.398 . . . . 74.140000000000001 111.672 176.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 47.97 -73.94 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.675 0 O-C-N 124.327 1.017 . . . . 74.329999999999998 113.377 164.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -155.15 34.55 0.66 Allowed Glycine 0 CA--C 1.527 0.83 0 CA-C-N 115.498 -0.774 . . . . 73.230000000000004 112.357 -177.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.546 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 67.9 mtp -64.71 -43.99 91.68 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.497 -0.413 . . . . 75.120000000000005 111.801 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.3 p -53.37 -29.89 36.77 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.059 0.457 . . . . 72.239999999999995 111.351 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.53 ' HA ' HD11 ' B' ' 33' ' ' ILE . 12.0 m120 -77.08 -49.54 15.08 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.123 -0.49 . . . . 72.329999999999998 111.217 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.546 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.7 pt20 -69.88 -38.73 76.46 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.314 -0.403 . . . . 74.400000000000006 111.662 -177.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.455 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 13.2 mm -55.84 -54.39 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 121.08 0.466 . . . . 72.530000000000001 111.603 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 m -74.74 -27.75 60.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.228 -0.442 . . . . 74.510000000000005 110.537 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.27 -48.51 85.61 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.182 -0.532 . . . . 52.43 112.568 174.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 21' ' ' GLN . 66.8 t -60.14 -39.38 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 120.915 0.388 . . . . 72.430000000000007 110.995 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.449 HG22 HD13 ' A' ' 49' ' ' LEU . 72.4 mt -60.22 -40.82 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 116.162 -0.472 . . . . 74.329999999999998 111.506 175.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.51 ' HB3' ' O ' ' B' ' 20' ' ' ASN . 4.7 m -52.9 -41.23 64.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.353 0.596 . . . . 71.129999999999995 111.463 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.761 ' HZ1' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -97.63 26.77 4.77 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.587 -0.733 . . . . 74.409999999999997 112.381 -176.339 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -75.73 168.99 18.99 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.681 0.753 . . . . 62.450000000000003 112.12 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.595 ' HB3' ' HZ1' ' A' ' 58' ' ' LYS . 38.3 t70 -85.54 35.31 0.6 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.341 -0.845 . . . . 62.329999999999998 110.833 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.5 t -153.69 157.92 40.26 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.107 0.479 . . . . 73.340000000000003 111.583 175.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -91.28 118.17 30.27 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.897 0.379 . . . . 71.109999999999999 112.005 -176.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.467 ' HA ' HG22 ' A' ' 51' ' ' ILE . 61.3 mt -59.79 109.93 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.516 -0.311 . . . . 70.299999999999997 111.042 177.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -34.45 15.51 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.215 0.531 . . . . 71.340000000000003 110.568 177.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 16.3 m -153.97 147.61 25.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 74.200000000000003 110.199 175.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.565 HG22 ' HB3' ' B' ' 38' ' ' LEU . 19.6 tt -160.99 135.42 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.062 0.458 . . . . 74.430000000000007 111.373 174.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.458 HG12 HG22 ' B' ' 37' ' ' VAL . 60.4 t -133.85 105.11 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 111.363 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.54 ' HB3' HG23 ' B' ' 36' ' ' ILE . 9.0 tt -106.05 134.03 49.83 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 110.192 -0.299 . . . . 75.510000000000005 110.192 175.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -147.85 134.57 19.97 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.976 0.417 . . . . 71.129999999999995 110.975 173.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.671 ' HB1' ' HD3' ' B' ' 34' ' ' ARG . . . -99.76 128.59 45.85 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.046 0.45 . . . . 74.439999999999998 111.346 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -148.84 146.74 28.11 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.876 -0.602 . . . . 75.329999999999998 110.917 -175.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 57.85 26.59 13.44 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.362 0.601 . . . . 71.219999999999999 111.975 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.06 -11.21 70.07 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 121.996 -0.44 . . . . 73.319999999999993 113.141 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mt -108.65 178.46 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 122.791 0.436 . . . . 71.230000000000004 109.986 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 38.9 p90 -142.06 149.28 39.72 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 122.042 -0.411 . . . . 75.340000000000003 110.862 169.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 5.1 t -124.72 109.75 13.51 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.125 0.488 . . . . 62.030000000000001 111.208 175.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.0 t -98.64 112.83 24.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.185 -0.461 . . . . 63.420000000000002 111.09 177.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.463 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 2.8 m-20 -98.28 109.03 21.85 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.342 -0.39 . . . . 74.299999999999997 111.233 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.449 HD13 HG22 ' A' ' 26' ' ' ILE . 50.1 tp -98.18 137.85 36.33 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.834 0.349 . . . . 73.310000000000002 111.893 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.535 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 67.7 mmm -129.68 111.89 13.12 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 116.412 -0.358 . . . . 73.310000000000002 111.12 176.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.467 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.7 pp -142.48 160.66 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-N 116.419 -0.355 . . . . 75.439999999999998 111.744 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -92.83 142.08 27.72 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.349 0.5 . . . . 73.510000000000005 112.349 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 m -142.12 152.85 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 115.859 -0.61 . . . . 73.099999999999994 110.838 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 12.9 ptmm? -73.37 -38.74 65.58 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.286 0.476 . . . . 73.450000000000003 112.286 176.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.461 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -157.17 162.19 39.34 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 111.729 0.27 . . . . 72.540000000000006 111.729 179.629 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.9 p -55.6 -33.01 63.57 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.826 1.047 . . . . 73.019999999999996 113.826 -171.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.3 -37.71 75.58 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.711 0.767 . . . . 72.129999999999995 110.472 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.595 ' HZ1' ' HB3' ' A' ' 30' ' ' ASP . 50.4 tptt -63.03 -39.91 96.15 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.93 -1.032 . . . . 73.120000000000005 111.219 175.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.489 HD21 ' HB1' ' A' ' 6' ' ' ALA . 67.7 tp -70.57 -46.49 63.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.94 0.4 . . . . 75.439999999999998 111.968 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.8 p -59.51 -28.34 66.97 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.406 -0.361 . . . . 73.340000000000003 111.75 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.421 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 96.8 m -59.34 -41.73 89.86 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.986 0.422 . . . . 74.129999999999995 111.018 175.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.63 -40.09 92.16 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.049 -0.523 . . . . 63.450000000000003 111.409 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.419 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 60.0 mtt -51.67 -52.43 48.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.135 0.493 . . . . 75.329999999999998 110.948 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.91 -44.29 86.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.772 -0.649 . . . . 64.439999999999998 111.101 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.467 ' HZ1' ' HB3' ' A' ' 65' ' ' LYS . 8.2 mtpm? -58.06 -37.07 73.74 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.102 0.477 . . . . 75.239999999999995 111.702 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.505 HD13 HD11 ' A' ' 10' ' ' ILE . 54.9 mt -79.44 -30.95 42.45 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.106 0.479 . . . . 74.540000000000006 111.577 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 63' ' ' MET . 86.6 mtt180 -71.8 -6.83 44.41 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.305 0.484 . . . . 74.109999999999999 112.305 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -72.07 -16.54 62.03 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.934 0.346 . . . . 73.129999999999995 111.934 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.41 HG22 ' CD1' ' A' ' 22' ' ' ILE . 94.6 t -76.42 119.53 24.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 121.451 0.643 . . . . 71.540000000000006 111.939 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -51.55 -30.27 20.05 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.746 1.017 . . . . 72.420000000000002 113.746 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.05 -5.49 60.82 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 114.627 0.611 . . . . 64.340000000000003 114.627 -174.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.4 t -94.51 133.48 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 117.955 0.877 . . . . 74.049999999999997 111.581 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -117.57 -8.96 10.88 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.727 0.64 . . . . 71.420000000000002 112.727 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.621 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.6 p -135.19 124.29 24.36 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.159 0.504 . . . . 71.120000000000005 111.676 175.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' ' 66' ' ' LEU . 52.7 t -140.48 103.1 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 109.279 -0.637 . . . . 75.329999999999998 109.279 171.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -134.31 167.59 20.43 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.335 0.494 . . . . 74.219999999999999 112.335 -171.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 ttp85 -88.87 136.14 33.17 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.407 0.622 . . . . 74.230000000000004 111.945 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.441 HD23 ' HB2' ' A' ' 9' ' ' ARG . 98.0 mt -88.39 114.79 25.37 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.829 -0.623 . . . . 74.329999999999998 110.474 173.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.1 p -85.25 -65.35 1.02 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.061 0.458 . . . . 72.530000000000001 111.465 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -75.22 98.43 3.76 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.224 -0.444 . . . . 54.43 111.05 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.1 mt -86.4 152.26 22.86 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.483 0.549 . . . . 74.109999999999999 112.483 -174.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -84.72 15.65 3.74 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.897 -0.592 . . . . 73.010000000000005 111.572 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.43 ' CE1' HD21 ' A' ' 5' ' ' LEU . 17.6 m-70 -94.71 8.28 42.98 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.676 0.621 . . . . 72.439999999999998 112.676 -172.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -82.92 65.29 7.97 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.322 0.582 . . . . 73.409999999999997 111.225 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -80.67 -39.81 26.57 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.026 0.441 . . . . 75.409999999999997 110.205 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 70.0 t60 58.91 12.88 2.51 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.042 0.756 . . . . 75.530000000000001 113.042 168.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -73.95 106.06 5.48 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.932 0.396 . . . . 75.219999999999999 111.065 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 49.5 t60 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.917 -0.563 . . . . 74.329999999999998 111.086 -177.205 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.578 ' SD ' ' N ' ' B' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.75 0.309 . . . . 74.120000000000005 111.173 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 51.4 m -82.82 -26.03 32.11 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.272 0.558 . . . . 72.540000000000006 110.336 174.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -90.35 150.01 22.06 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.722 -0.672 . . . . 62.200000000000003 111.21 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -129.97 154.76 47.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.84 -0.429 . . . . 72.230000000000004 109.84 175.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 46.0 tp -79.56 102.98 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.321 0.581 . . . . 74.549999999999997 110.806 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.96 142.79 27.06 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.682 -0.69 . . . . 75.010000000000005 111.86 -177.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.34 136.8 13.13 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 121.381 -0.438 . . . . 73.409999999999997 112.828 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.597 HD13 HD22 ' B' ' 49' ' ' LEU . 48.7 mt -124.04 143.89 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 121.015 0.436 . . . . 72.420000000000002 111.118 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -117.55 117.8 30.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.924 0.392 . . . . 75.5 110.902 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.509 ' O ' ' HA ' ' B' ' 46' ' ' THR . 40.9 mt -112.02 117.75 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 116.285 -0.416 . . . . 72.329999999999998 111.075 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.589 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 50.4 t -122.15 113.77 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 121.442 0.639 . . . . 73.239999999999995 111.415 176.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.72 172.19 23.45 Favored Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.471 -0.786 . . . . 42.119999999999997 112.498 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.56 134.98 43.89 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.216 0.531 . . . . 74.219999999999999 112.211 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -70.1 117.63 11.92 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.339 -0.391 . . . . 74.109999999999999 110.947 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.433 ' HB2' ' CG ' ' B' ' 18' ' ' MET . 47.9 mtpt -143.17 174.9 10.29 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.891 1.071 . . . . 75.219999999999999 113.891 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -31.57 -36.72 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 113.424 -1.716 . . . . 74.420000000000002 115.158 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.41 29.97 0.46 Allowed Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.628 -0.796 . . . . 63.420000000000002 113.343 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.443 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 48.8 mmm -73.43 -50.97 18.97 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.37 0.507 . . . . 73.510000000000005 112.37 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -63.55 -27.07 69.01 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.316 0.579 . . . . 74.109999999999999 110.726 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.51 ' O ' ' HB3' ' A' ' 27' ' ' SER . 15.0 m120 -76.04 -48.52 20.58 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.582 -0.736 . . . . 61.439999999999998 111.048 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.42 ' O ' HG21 ' B' ' 25' ' ' VAL . 9.0 pt20 -66.29 -39.42 89.37 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.847 0.356 . . . . 74.519999999999996 111.706 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.502 ' O ' HG12 ' B' ' 26' ' ' ILE . 13.2 mm -59.19 -54.12 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 112.485 0.55 . . . . 75.430000000000007 112.485 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 22.4 m -70.6 -27.37 64.04 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.107 0.479 . . . . 73.219999999999999 110.728 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.9 -45.57 96.29 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.128 -0.558 . . . . 73.319999999999993 111.911 171.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.42 HG21 ' O ' ' B' ' 21' ' ' GLN . 92.5 t -62.34 -34.35 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 120.824 0.345 . . . . 73.310000000000002 111.327 175.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.763 HD12 HD23 ' B' ' 49' ' ' LEU . 49.9 mm -58.53 -44.32 88.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-O 120.94 0.4 . . . . 73.150000000000006 111.331 176.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 54.8 p -63.61 -21.47 66.38 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.955 0.407 . . . . 71.25 111.467 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' B' ' 25' ' ' VAL . 26.7 mtpp -79.87 -4.88 54.16 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 116.2 -0.454 . . . . 73.329999999999998 112.081 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -69.38 169.21 12.8 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.025 0.75 . . . . 74.439999999999998 113.025 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.24 -12.48 60.0 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.396 -0.82 . . . . 74.200000000000003 111.597 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -115.77 172.19 7.29 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.142 0.793 . . . . 74.439999999999998 113.142 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . 0.48 ' O ' HG22 ' B' ' 51' ' ' ILE . 22.6 t-20 -97.87 129.77 44.8 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.564 -0.744 . . . . 74.140000000000001 111.572 -174.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.53 HD11 ' HA ' ' A' ' 20' ' ' ASN . 66.6 mt -69.81 98.81 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.028 0.442 . . . . 73.329999999999998 110.976 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . 0.671 ' HD3' ' HB1' ' A' ' 40' ' ' ALA . 5.4 tpp180 -83.45 -30.59 27.14 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.267 0.556 . . . . 74.530000000000001 110.738 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' THR . . . . . 0.537 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 9.7 m -156.77 148.6 22.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.862 -0.608 . . . . 72.340000000000003 110.267 173.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.54 HG23 ' HB3' ' A' ' 38' ' ' LEU . 17.4 tt -157.23 133.29 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-O 120.956 0.408 . . . . 75.219999999999999 111.38 173.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.458 HG22 HG12 ' A' ' 37' ' ' VAL . 77.1 t -130.0 104.38 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 116.269 -0.423 . . . . 73.310000000000002 111.433 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.565 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.8 tt -110.16 131.69 54.83 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.211 -0.305 . . . . 74.409999999999997 110.658 177.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -147.96 145.71 28.68 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.551 -0.295 . . . . 74.420000000000002 110.668 173.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -114.45 120.23 39.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.193 0.521 . . . . 73.340000000000003 111.723 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.84 152.27 46.36 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.999 -0.546 . . . . 74.140000000000001 110.112 176.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 63.53 16.7 9.82 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 112.082 0.401 . . . . 71.109999999999999 112.082 -178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.25 12.79 81.79 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 121.136 -0.554 . . . . 62.219999999999999 112.801 -175.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.1 mt -131.37 155.58 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 122.952 0.501 . . . . 75.329999999999998 109.723 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.4 p90 -124.23 145.8 49.13 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.943 -0.473 . . . . 74.230000000000004 111.39 179.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.509 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 2.5 t -120.27 108.87 14.7 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.146 -0.479 . . . . 52.140000000000001 111.009 174.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' CYS . . . . . 0.426 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.2 t -95.84 105.72 17.76 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.144 0.497 . . . . 74.450000000000003 111.459 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 14.5 m120 -83.32 107.81 16.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.964 -0.562 . . . . 61.409999999999997 110.999 176.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.763 HD23 HD12 ' B' ' 26' ' ' ILE . 57.1 tp -98.68 134.55 41.44 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.857 0.36 . . . . 64.129999999999995 111.855 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.537 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 65.8 mmm -126.05 110.82 13.99 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.958 0.409 . . . . 73.219999999999999 110.908 175.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.48 HG22 ' O ' ' B' ' 32' ' ' ASN . 2.3 pp -140.55 164.42 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 111.632 -177.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -97.17 130.76 44.38 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 120.752 0.311 . . . . 75.519999999999996 111.752 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.92 148.2 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 120.974 0.416 . . . . 74.530000000000001 111.247 177.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.432 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 17.8 ptpt -74.91 -35.49 62.21 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.558 0.577 . . . . 74.420000000000002 112.558 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.432 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 48.1 m-80 -136.7 151.16 48.95 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 122.178 -0.326 . . . . 71.239999999999995 111.103 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.9 p -62.34 -20.21 64.15 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.999 0.428 . . . . 75.430000000000007 110.969 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.36 -41.43 73.12 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.655 0.74 . . . . 74.310000000000002 109.629 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -59.6 -37.83 79.62 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.995 -1.002 . . . . 75.099999999999994 110.765 173.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 50.1 tp -67.98 -48.45 65.76 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.953 -0.567 . . . . 72.209999999999994 111.629 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 69.4 p -60.51 -40.06 90.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.725 0.298 . . . . 73.310000000000002 110.84 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 85.6 m -53.06 -45.52 68.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.082 -0.508 . . . . 74.209999999999994 111.527 175.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 47.5 mt -59.91 -47.56 85.26 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.845 0.355 . . . . 75.430000000000007 111.476 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.523 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 79.5 mtm -59.43 -39.33 83.17 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.5 -0.318 . . . . 64.019999999999996 111.179 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.24 -47.91 82.06 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.027 0.442 . . . . 73.129999999999995 111.206 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.509 ' HB3' ' HZ3' ' B' ' 65' ' ' LYS . 8.6 mtpm? -54.86 -40.29 69.52 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.921 -0.581 . . . . 73.310000000000002 111.578 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.506 ' HB2' HG11 ' B' ' 75' ' ' VAL . 67.1 mt -75.17 -29.68 60.5 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.979 -0.555 . . . . 74.25 111.87 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' B' ' 63' ' ' MET . 98.8 mtt180 -70.92 -8.29 51.92 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 120.719 0.295 . . . . 75.530000000000001 111.74 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -83.43 2.83 34.7 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.063 0.459 . . . . 75.140000000000001 111.361 176.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.445 HG12 HD11 ' B' ' 22' ' ' ILE . 62.9 t -88.62 116.74 30.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 116.352 -0.385 . . . . 71.140000000000001 110.782 176.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -64.99 -13.71 58.42 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.729 0.64 . . . . 54.229999999999997 112.729 -173.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.443 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -93.46 -10.85 58.89 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 121.042 -0.599 . . . . 71.5 113.811 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 94.8 t -105.07 134.03 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 O-C-N 122.252 -0.557 . . . . 64.530000000000001 111.691 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.9 -16.36 13.56 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.542 0.571 . . . . 75.209999999999994 112.542 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.589 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.1 p -132.4 123.62 27.09 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.166 0.507 . . . . 72.519999999999996 111.825 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.506 HG11 ' HB2' ' B' ' 66' ' ' LEU . 25.4 t -136.01 103.5 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.95 -0.759 . . . . 73.209999999999994 108.95 171.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -133.99 160.16 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.273 0.558 . . . . 71.439999999999998 112.165 -168.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -83.48 148.86 26.99 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.881 -0.599 . . . . 72.200000000000003 112.143 -176.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.5 mt -104.0 128.66 51.57 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.027 -0.533 . . . . 71.209999999999994 110.814 175.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 79.3 p -97.83 -39.84 8.82 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.924 0.392 . . . . 75.530000000000001 111.662 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -101.07 129.78 47.0 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.954 0.407 . . . . 65.099999999999994 111.18 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -122.45 153.37 39.22 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.884 0.373 . . . . 74.239999999999995 111.537 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -82.19 2.62 30.78 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.514 0.673 . . . . 73.040000000000006 110.603 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -74.42 -27.86 60.81 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.475 -0.784 . . . . 73.400000000000006 110.934 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -165.42 129.63 2.35 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.865 -0.607 . . . . 73.430000000000007 110.227 175.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -148.49 100.66 3.15 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.004 0.43 . . . . 70.450000000000003 110.08 -177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -79.95 68.76 6.15 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.897 0.703 . . . . 63.109999999999999 112.897 -168.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 48.7 38.85 12.42 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.202 1.186 . . . . 65.420000000000002 114.202 172.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.148 -0.93 . . . . 75.540000000000006 111.503 171.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 121.134 0.492 . . . . 74.43 111.403 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 51' ' ' ILE . 58.9 tp -79.13 102.69 8.6 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.87 -0.604 . . . . 73.23 110.578 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.511 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -93.71 128.72 40.05 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.88 -0.6 . . . . 71.12 112.112 -177.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.33 144.06 15.74 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.294 -0.412 . . . . 53.34 113.008 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.5 mt -133.0 138.84 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 122.626 0.37 . . . . 61.45 110.973 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -116.49 119.23 34.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.165 0.507 . . . . 72.11 111.525 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.627 HD11 HD13 ' A' ' 66' ' ' LEU . 43.6 mt -113.4 120.0 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.826 -0.624 . . . . 71.23 111.286 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.601 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.7 t -118.46 117.18 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 121.504 0.669 . . . . 74.54 111.193 173.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.53 169.19 23.89 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.578 -0.737 . . . . 62.32 112.153 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -73.2 131.16 41.67 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.096 0.474 . . . . 74.42 111.725 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.04 85.59 0.05 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.465 0.65 . . . . 71.53 110.951 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 17' ' ' GLY . 13.9 mttp -106.67 159.14 16.43 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 114.38 1.252 . . . . 73.33 114.38 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.06 73.99 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 112.805 -1.998 . . . . 74.21 112.212 174.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . 133.56 -22.9 3.86 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 115.473 -0.785 . . . . 73.43 114.037 173.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.502 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 49.5 mmm -55.24 -51.44 66.61 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.939 0.718 . . . . 74.14 112.939 -176.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -57.37 -31.44 65.78 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.003 0.371 . . . . 62.04 112.003 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -76.33 -48.54 19.67 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.06 0.457 . . . . 74.45 110.92 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.1 pt20 -66.93 -37.5 84.45 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.063 -0.517 . . . . 44.21 111.661 -176.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.439 HG13 ' HZ ' ' A' ' 45' ' ' PHE . 12.3 mm -59.37 -54.24 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 112.495 0.554 . . . . 64.04 112.495 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.3 m -73.9 -27.42 61.04 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.213 0.53 . . . . 72.24 110.503 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.81 -39.0 96.18 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 121.219 -0.515 . . . . 74.34 112.355 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 21' ' ' GLN . 64.5 t -67.09 -40.38 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.873 0.368 . . . . 52.54 111.198 174.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.487 HG21 HD13 ' A' ' 49' ' ' LEU . 70.8 mt -55.13 -46.31 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.061 -0.518 . . . . 74.34 112.099 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.3 p -59.39 -20.88 58.29 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.984 0.365 . . . . 61.32 111.984 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -80.27 -5.57 56.46 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.541 0.571 . . . . 74.51 112.541 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -70.57 166.89 19.65 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.313 0.578 . . . . 54.24 112.439 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -84.36 11.51 8.32 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.063 -0.517 . . . . 64.23 111.825 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 t -124.65 155.86 38.49 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.135 0.493 . . . . 73.03 112.209 -175.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -90.58 130.44 36.61 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.137 -0.483 . . . . 71.41 111.691 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.501 ' HA ' HG22 ' A' ' 51' ' ' ILE . 66.6 mt -68.07 113.1 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.051 -0.522 . . . . 70.11 111.269 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -88.4 -35.61 17.02 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.33 0.586 . . . . 73.42 110.387 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 89.7 m -158.15 132.28 8.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.67 -0.695 . . . . 73.3 110.884 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.727 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.1 tp -131.64 128.17 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 110.189 -0.3 . . . . 72.32 110.189 175.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.584 HG22 HG13 ' B' ' 37' ' ' VAL . 62.5 t -130.23 103.4 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.962 0.41 . . . . 64.12 111.521 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.8 tt -110.37 130.32 55.58 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.804 -0.443 . . . . 73.54 109.804 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.443 ' HB3' HG23 ' B' ' 35' ' ' THR . 5.6 p30 -151.79 139.26 19.54 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.092 0.473 . . . . 53.53 112.034 174.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -94.92 145.69 24.74 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.766 -0.652 . . . . 74.54 110.416 178.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -116.69 -74.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.931 0.872 . . . . 73.31 112.566 -171.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -136.9 80.91 1.84 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.849 -1.069 . . . . 54.12 110.236 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.71 -2.78 14.78 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 120.94 -0.648 . . . . 73.11 113.101 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -124.22 159.54 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 109.662 -0.496 . . . . 71.4 109.662 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.526 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 31.3 p90 -133.24 140.98 47.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 64.51 110.524 176.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.534 ' HB ' HG22 ' A' ' 11' ' ' VAL . 6.2 t -118.28 117.9 30.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.075 0.464 . . . . 75.42 111.408 174.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.727 ' SG ' HD11 ' A' ' 36' ' ' ILE . 45.3 t -105.63 124.21 49.18 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.049 -0.523 . . . . 30.32 111.075 176.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.407 ' O ' HD12 ' A' ' 36' ' ' ILE . 78.1 m-20 -105.74 117.0 32.89 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.636 0.255 . . . . 74.43 110.763 179.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 26' ' ' ILE . 52.7 tp -98.8 128.09 44.92 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.027 0.442 . . . . 71.42 111.921 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.474 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.3 mmm -120.58 109.66 15.51 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.1 -0.5 . . . . 72.14 110.847 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.501 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -140.08 176.57 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 116.002 -0.544 . . . . 62.0 111.523 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -109.6 143.99 38.54 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.059 0.457 . . . . 73.44 111.636 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.3 m -143.03 141.61 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 116.275 -0.42 . . . . 71.51 110.375 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -68.46 -45.88 71.27 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.58 0.705 . . . . 74.31 111.508 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -128.52 147.97 50.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.493 -0.776 . . . . 64.03 111.084 -170.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.9 p -61.62 -26.38 67.95 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.012 0.434 . . . . 60.52 111.184 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.01 -40.46 87.31 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.837 0.827 . . . . 65.31 109.739 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -59.45 -31.39 69.26 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.15 -0.932 . . . . 63.24 111.131 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.511 HD13 ' HB1' ' A' ' 6' ' ' ALA . 39.4 tp -76.56 -48.32 19.69 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.431 -0.349 . . . . 74.23 111.609 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -59.54 -30.63 68.75 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.133 0.492 . . . . 71.33 110.953 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 90.8 m -63.95 -39.4 94.07 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.789 -0.642 . . . . 71.34 111.501 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.83 -39.58 89.57 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.79 0.328 . . . . 72.22 111.137 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.614 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 56.8 mtt -54.75 -55.08 33.78 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.388 -0.369 . . . . 71.42 110.541 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -54.36 -36.38 63.79 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.883 -0.598 . . . . 74.55 111.627 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -65.54 -40.92 93.46 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.105 -0.498 . . . . 71.11 111.671 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.627 HD13 HD11 ' A' ' 10' ' ' ILE . 64.7 mt -77.34 -30.77 54.09 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.127 0.489 . . . . 62.41 111.836 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.614 ' HG3' ' O ' ' A' ' 63' ' ' MET . 76.3 mtp180 -71.27 -7.62 48.16 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.202 -0.454 . . . . 72.42 112.074 -178.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -71.51 -9.75 58.69 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.078 0.399 . . . . 72.24 112.078 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -92.46 118.32 37.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.215 0.531 . . . . 74.54 111.778 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -60.7 -28.42 68.63 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.709 -0.678 . . . . 74.01 112.498 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.31 -16.67 79.75 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.127 -0.559 . . . . 74.42 113.761 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 93.8 t -94.56 139.78 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 117.214 0.507 . . . . 70.31 111.405 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.16 -14.16 8.41 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.552 0.575 . . . . 74.13 112.552 177.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.601 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.6 p -131.26 124.0 29.58 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.803 -0.561 . . . . 72.43 111.644 175.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.2 t -132.06 103.32 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 116.138 -0.483 . . . . 53.33 109.781 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -124.27 165.68 17.21 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.627 0.602 . . . . 73.24 112.627 -170.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.522 ' HG3' HH11 ' A' ' 77' ' ' ARG . 15.8 ttt85 -97.49 132.82 42.82 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.876 -0.602 . . . . 75.43 111.424 174.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 98.4 mt -89.81 103.02 15.72 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.97 0.414 . . . . 50.31 110.72 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.1 p -81.38 -60.88 2.11 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.862 0.363 . . . . 75.24 111.504 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -69.86 105.15 2.69 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.326 0.584 . . . . 72.41 111.18 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.4 mt . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 121.284 0.564 . . . . 73.21 112.132 -177.227 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.558 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 11.5 p-10 . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 120.902 0.382 . . . . 70.21 111.549 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -155.19 157.89 38.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.954 0.407 . . . . 72.23 110.836 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 43.8 tp -79.34 102.99 8.96 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.082 0.468 . . . . 72.03 111.139 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.435 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -93.61 148.16 22.35 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.179 -0.464 . . . . 61.42 111.526 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.77 141.38 14.94 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.308 -0.473 . . . . 75.51 113.5 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.484 HD12 HD23 ' B' ' 49' ' ' LEU . 48.3 mt -129.62 149.22 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 122.953 0.501 . . . . 63.42 110.162 176.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.552 ' HB3' ' HG3' ' B' ' 76' ' ' GLU . 43.7 ttt-85 -130.23 119.88 23.6 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.795 0.331 . . . . 64.13 110.7 177.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.599 HD11 HD13 ' B' ' 66' ' ' LEU . 43.6 mt -113.19 117.1 54.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 116.473 -0.331 . . . . 63.12 111.348 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.627 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 43.3 t -115.5 113.83 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.759 0.79 . . . . 64.0 111.066 174.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.44 171.67 22.48 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 115.277 -0.874 . . . . 55.32 112.018 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.46 132.13 46.47 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.28 0.562 . . . . 74.5 112.008 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -73.19 87.16 1.43 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.195 0.521 . . . . 62.43 111.961 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -105.21 156.11 18.42 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.757 1.021 . . . . 73.43 113.757 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -62.32 69.01 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 113.937 -1.483 . . . . 72.45 112.006 173.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.79 -36.51 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 CA-C-N 115.509 -0.769 . . . . 64.31 112.894 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.535 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 63.3 mmm -54.41 -51.12 65.91 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.736 0.643 . . . . 72.53 112.736 -179.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 75.5 p -58.49 -31.92 68.31 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.956 0.408 . . . . 53.11 111.812 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -76.53 -48.78 18.28 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.345 -0.389 . . . . 72.1 111.079 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.535 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 10.0 pt20 -65.73 -39.96 91.69 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.158 -0.474 . . . . 50.14 111.362 -177.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.419 HG13 ' CZ ' ' B' ' 45' ' ' PHE . 12.9 mm -60.08 -53.95 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 112.373 0.509 . . . . 74.44 112.373 -177.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 19.1 m -71.82 -27.12 62.7 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.115 0.483 . . . . 72.43 110.367 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.29 91.77 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 121.127 -0.559 . . . . 72.42 112.462 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 21' ' ' GLN . 95.1 t -59.12 -39.46 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.382 0.611 . . . . 45.41 110.928 174.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.474 HG21 HD13 ' B' ' 49' ' ' LEU . 71.5 mt -64.57 -43.74 96.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 115.945 -0.571 . . . . 73.42 112.008 177.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 84.5 p -65.72 -22.76 66.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.003 0.372 . . . . 64.52 112.003 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' B' ' 25' ' ' VAL . 20.5 ptmt -97.46 13.19 30.71 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 111.934 0.346 . . . . 72.24 111.934 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -66.33 179.2 1.02 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.696 0.76 . . . . 72.12 111.931 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -26.23 34.85 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.395 -0.82 . . . . 72.34 110.944 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.5 t -96.0 171.26 8.74 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.549 -0.75 . . . . 61.55 112.661 -173.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -99.95 131.97 45.59 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.308 -0.406 . . . . 54.54 111.268 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.464 ' HA ' HG22 ' B' ' 51' ' ' ILE . 58.5 mt -81.9 105.7 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.448 -0.342 . . . . 75.4 111.884 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.06 -23.34 22.57 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.99 -0.443 . . . . 73.14 111.747 178.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 18.6 m -156.09 144.4 19.94 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.645 0.259 . . . . 53.15 110.891 173.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.518 HG22 ' HB3' ' A' ' 38' ' ' LEU . 20.3 tt -160.48 129.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.88 0.372 . . . . 63.32 111.031 173.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.584 HG13 HG22 ' A' ' 37' ' ' VAL . 59.9 t -128.88 104.0 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 120.863 0.363 . . . . 63.23 111.509 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.677 ' HB3' HG22 ' A' ' 36' ' ' ILE . 7.5 tt -106.19 125.07 50.54 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.534 -0.543 . . . . 64.22 109.534 174.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -136.03 120.98 18.71 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.208 0.528 . . . . 63.34 111.367 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -92.99 110.72 22.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.691 -0.686 . . . . 54.44 110.482 176.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -126.07 135.54 51.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.916 -0.584 . . . . 73.2 111.089 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.4 t70 70.11 -31.4 0.22 Allowed 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.213 0.819 . . . . 44.34 113.213 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.47 -8.18 0.46 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 122.169 -0.332 . . . . 51.24 112.623 -174.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.6 159.58 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 122.423 -0.457 . . . . 54.12 110.268 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.537 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 31.9 p90 -126.06 143.31 51.16 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.136 -0.352 . . . . 65.23 111.379 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.5 t -119.58 105.83 11.59 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.091 0.472 . . . . 73.24 111.251 174.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' B' ' 38' ' ' LEU . 44.1 t -95.09 105.84 17.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.003 0.43 . . . . 71.44 111.112 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.479 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 2.2 m-20 -91.04 110.01 21.27 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.9 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.484 HD23 HD12 ' B' ' 8' ' ' ILE . 40.9 tp -98.21 135.41 39.9 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.995 0.426 . . . . 70.53 111.941 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.586 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 61.5 mmm -129.87 113.06 14.19 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.341 -0.391 . . . . 75.11 111.254 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -143.55 160.32 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.147 -0.479 . . . . 52.3 111.844 -175.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -90.68 132.19 35.94 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.952 0.406 . . . . 70.33 111.636 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 23.2 m -124.83 155.9 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 116.363 -0.381 . . . . 74.42 111.272 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -82.78 -17.75 43.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.724 0.297 . . . . 73.42 111.797 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -166.99 169.04 13.34 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.023 0.439 . . . . 72.1 111.81 -176.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 56.2 p -69.82 -31.11 68.81 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.288 -0.414 . . . . 73.12 111.614 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.19 -36.58 84.52 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.622 0.725 . . . . 70.2 110.25 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -57.93 -44.3 86.8 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.312 -0.858 . . . . 75.12 110.965 173.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.435 HD13 ' HB1' ' B' ' 6' ' ' ALA . 52.5 tp -64.74 -46.68 81.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.094 -0.503 . . . . 52.44 111.467 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 82.5 p -63.49 -29.54 70.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.814 0.34 . . . . 72.4 111.546 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 98.8 m -65.81 -43.42 88.68 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.92 0.39 . . . . 64.23 111.516 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.1 -36.14 76.77 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.488 -0.324 . . . . 64.23 111.418 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.409 ' CE ' ' HB2' ' B' ' 77' ' ' ARG . 60.2 mtt -54.1 -51.4 64.29 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.996 0.427 . . . . 71.42 111.065 176.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.07 -36.51 81.88 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.028 -0.533 . . . . 64.04 111.297 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -63.11 -37.77 88.53 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.097 -0.501 . . . . 43.32 111.26 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.599 HD13 HD11 ' B' ' 10' ' ' ILE . 58.7 mt -77.86 -35.05 51.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.025 -0.534 . . . . 61.15 111.68 179.03 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -64.88 -6.83 9.17 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.371 0.508 . . . . 74.01 112.371 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -70.89 -13.87 62.18 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.884 0.373 . . . . 74.41 111.832 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 44.8 t -92.12 111.92 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 120.921 0.391 . . . . 63.23 111.205 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -58.37 -27.72 64.48 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.622 0.601 . . . . 74.23 112.622 -175.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.82 -23.32 75.77 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 121.215 -0.516 . . . . 45.12 113.513 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 84.0 t -88.44 135.91 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 122.468 -0.431 . . . . 64.01 111.395 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -116.09 -16.43 11.03 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.422 0.527 . . . . 61.03 112.422 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.627 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 4.6 p -129.81 119.15 22.91 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.169 0.509 . . . . 72.25 111.724 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.1 t -126.35 103.86 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.296 -0.631 . . . . 73.51 109.296 169.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.552 ' HG3' ' HB3' ' B' ' 9' ' ' ARG . 8.1 pt-20 -128.78 160.81 31.39 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.364 0.602 . . . . 72.12 112.542 -169.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.409 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 20.0 ttp85 -90.98 144.55 25.55 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.777 -0.647 . . . . 72.4 111.95 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' B' ' 9' ' ' ARG . 98.5 mt -101.38 99.37 9.72 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.216 -0.447 . . . . 54.31 110.8 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 77.3 p -73.11 -57.8 3.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.276 0.56 . . . . 74.14 110.651 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -79.08 118.05 20.7 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.686 -0.688 . . . . 62.03 110.453 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 44.6 mt . . . . . 0 N--CA 1.467 0.402 0 CA-C-O 121.945 0.878 . . . . 50.42 113.066 -174.389 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.8 p90 . . . . . 0 C--O 1.235 0.313 0 CA-C-O 121.19 0.519 . . . . 70.44 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.3 tp -76.05 103.86 6.31 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.302 0.572 . . . . 54.31 111.276 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.455 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -98.12 142.29 29.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.748 -0.66 . . . . 70.42 111.858 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.52 149.67 18.25 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 121.257 -0.497 . . . . 73.12 113.054 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.42 HD12 HD23 ' A' ' 49' ' ' LEU . 28.5 mt -136.47 144.93 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 O-C-N 122.665 -0.315 . . . . 73.12 110.755 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.559 ' HB2' HD21 ' A' ' 78' ' ' LEU . 46.6 ttt180 -121.21 120.21 34.55 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.208 -0.308 . . . . 74.51 110.699 175.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.685 HD11 HD13 ' A' ' 66' ' ' LEU . 45.1 mt -109.59 117.08 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.373 -0.376 . . . . 74.32 111.247 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.641 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 70.6 t -119.97 115.43 47.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.58 0.705 . . . . 72.43 111.0 174.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.51 169.88 25.33 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 115.642 -0.708 . . . . 62.2 112.614 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -70.8 126.15 28.79 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.374 0.607 . . . . 50.02 111.412 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.66 102.21 5.27 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.413 -0.358 . . . . 61.23 111.14 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 18' ' ' MET . 0.0 OUTLIER -160.21 156.64 26.88 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.045 0.387 . . . . 71.54 112.045 178.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 52.98 26.6 4.85 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 112.916 0.71 . . . . 74.21 112.916 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.408 ' HA2' ' OD1' ' B' ' 32' ' ' ASN . . . 69.58 34.08 72.79 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.039 -0.6 . . . . 25.3 112.959 -177.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 35.0 mtp -57.41 -31.84 66.24 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.171 0.434 . . . . 71.02 112.171 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.8 p -58.46 -40.79 83.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.755 0.312 . . . . 72.51 111.488 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.35 -48.7 69.37 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.228 0.537 . . . . 64.42 110.662 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.482 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 17.8 pt20 -66.61 -37.66 85.35 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.73 -0.668 . . . . 73.53 111.329 -177.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.511 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 14.3 mm -61.74 -53.74 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 111.826 0.306 . . . . 70.5 111.826 -177.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.561 HG21 HG21 ' B' ' 23' ' ' THR . 6.2 m -72.94 -27.88 62.1 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.354 -0.539 . . . . 70.43 110.426 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.54 -50.24 66.79 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.139 -0.553 . . . . 33.41 112.164 172.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.541 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 94.6 t -59.19 -41.77 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.881 0.372 . . . . 52.32 111.289 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.498 HG21 HD13 ' A' ' 49' ' ' LEU . 67.0 mt -56.01 -43.96 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.229 -0.441 . . . . 61.12 111.786 176.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 m -53.35 -30.39 39.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.046 0.45 . . . . 73.4 111.841 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.541 ' HE3' ' HA ' ' A' ' 25' ' ' VAL . 5.5 mtmp? -81.18 -8.73 59.81 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.704 0.631 . . . . 65.3 112.704 -171.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -61.01 159.16 12.01 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.541 0.686 . . . . 73.43 112.81 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.92 -8.18 34.59 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.341 -0.845 . . . . 64.33 111.8 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.4 t -113.21 168.54 9.63 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.312 0.577 . . . . 52.15 112.116 -174.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -98.8 131.52 44.86 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.061 -0.518 . . . . 73.34 111.453 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.71 108.64 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 120.839 0.352 . . . . 74.22 110.918 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -89.29 -33.44 16.94 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.241 0.543 . . . . 64.22 111.049 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 26.0 m -158.36 148.05 19.64 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.025 -0.534 . . . . 70.45 110.131 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.541 HG22 ' HB3' ' B' ' 38' ' ' LEU . 17.8 tt -159.03 140.82 4.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.04 0.448 . . . . 64.24 112.151 175.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.5 t -136.51 104.88 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 115.858 -0.61 . . . . 75.33 111.187 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.67 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.7 tt -113.71 118.58 34.73 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 122.099 -0.376 . . . . 72.42 110.359 176.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -140.97 138.48 33.79 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.2 0.524 . . . . 55.5 111.52 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.25 141.99 32.34 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.605 0.595 . . . . 65.54 112.605 -175.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.48 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -155.4 143.17 19.8 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.602 -0.727 . . . . 73.33 110.523 178.281 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 60.04 27.6 17.03 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.137 0.791 . . . . 74.34 113.137 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.47 4.73 90.07 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.958 -0.639 . . . . 73.33 112.603 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -117.86 172.53 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.453 -0.573 . . . . 72.23 109.453 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.549 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 36.5 p90 -137.88 154.86 49.43 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.962 -0.461 . . . . 71.42 110.767 172.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 4.2 t -127.58 118.07 23.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.914 0.388 . . . . 75.32 110.852 174.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 52.2 t -109.25 102.99 11.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.261 -0.427 . . . . 65.31 111.643 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.499 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 18.1 m-80 -82.99 106.28 14.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.881 0.472 . . . . 64.03 111.281 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.498 HD13 HG21 ' A' ' 26' ' ' ILE . 49.5 tp -98.63 137.63 36.99 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.78 0.324 . . . . 51.23 111.809 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.527 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 72.4 mmm -130.36 113.19 14.04 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.851 0.358 . . . . 65.44 111.61 176.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.22 167.48 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 116.347 -0.388 . . . . 73.02 111.92 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -97.17 139.54 32.99 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.875 0.369 . . . . 75.15 111.712 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.1 m -129.47 141.91 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-O 121.024 0.44 . . . . 62.43 111.794 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.592 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.4 ptpt -73.79 -20.27 60.52 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.396 0.517 . . . . 64.0 112.396 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.592 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.1 p30 -156.83 162.48 39.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.6 0.36 . . . . 71.22 110.087 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -74.45 -28.1 60.89 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.829 0.347 . . . . 65.1 111.756 -173.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.72 -35.53 80.86 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.632 0.73 . . . . 51.51 110.267 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 49.0 tptt -57.91 -39.25 77.48 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.275 -0.875 . . . . 75.23 111.137 173.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.455 HD13 ' HB1' ' A' ' 6' ' ' ALA . 53.9 tp -66.02 -48.86 69.75 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.857 0.361 . . . . 73.14 111.953 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.454 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 5.1 t -67.64 -28.74 67.98 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.915 0.388 . . . . 74.31 111.435 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.8 m -60.39 -40.23 90.16 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.126 0.489 . . . . 71.42 110.657 172.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.73 -39.29 93.94 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.207 -0.451 . . . . 75.24 111.292 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.454 ' SD ' ' HA ' ' A' ' 60' ' ' THR . 50.0 mtt -52.67 -50.96 62.23 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.269 -0.423 . . . . 71.12 110.704 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.48 -48.77 79.68 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.312 -0.404 . . . . 75.55 110.822 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -51.29 -36.8 44.11 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.933 0.397 . . . . 74.05 111.687 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.685 HD13 HD11 ' A' ' 10' ' ' ILE . 57.9 mt -81.15 -28.3 35.11 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.163 0.506 . . . . 74.2 111.51 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 63' ' ' MET . 99.1 mtt180 -75.64 -7.69 54.93 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.315 -0.402 . . . . 74.43 111.969 177.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -71.4 -9.4 58.1 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.007 0.432 . . . . 62.23 110.946 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.23 115.76 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.884 0.373 . . . . 74.31 110.708 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -57.88 -30.49 65.89 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.781 0.66 . . . . 74.01 112.781 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.35 -18.06 79.49 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 121.002 -0.618 . . . . 70.32 114.193 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.3 t -89.32 139.73 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 121.899 -0.765 . . . . 73.21 111.363 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.97 -7.78 8.36 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.793 0.664 . . . . 62.14 112.793 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.641 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.7 p -138.39 125.23 21.09 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.074 0.464 . . . . 71.54 111.632 174.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.561 HG11 ' HB2' ' A' ' 66' ' ' LEU . 45.2 t -142.62 102.85 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 N-CA-C 109.512 -0.551 . . . . 75.2 109.512 171.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -131.8 167.41 19.6 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.073 0.463 . . . . 72.14 112.042 -173.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -80.21 143.94 33.35 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.067 0.46 . . . . 74.21 111.512 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' A' ' 9' ' ' ARG . 93.9 mt -88.97 102.17 14.81 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.975 0.417 . . . . 75.22 110.801 174.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.1 p -66.87 -48.4 68.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.161 0.505 . . . . 74.34 111.07 177.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -81.86 128.44 34.04 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.991 -0.55 . . . . 72.23 110.687 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.418 0.628 . . . . 72.45 109.839 -178.769 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 2.1 m-20 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 120.743 0.306 . . . . 43.2 111.239 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -106.88 161.02 15.07 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.185 0.517 . . . . 72.51 110.991 -173.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 tp -80.08 112.24 17.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.916 -0.584 . . . . 53.4 111.082 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.61 150.68 27.86 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.789 -0.641 . . . . 71.01 111.496 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.42 144.24 17.54 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 121.387 -0.435 . . . . 64.43 112.821 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.585 HD12 HD23 ' B' ' 49' ' ' LEU . 54.0 mt -129.44 147.22 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 120.788 0.328 . . . . 70.22 110.751 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.571 ' HB3' ' HB2' ' B' ' 76' ' ' GLU . 47.3 ttt180 -126.77 118.88 25.58 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.776 0.322 . . . . 75.24 110.841 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.562 HD11 HD13 ' B' ' 66' ' ' LEU . 40.5 mt -112.23 117.62 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.528 -0.306 . . . . 72.33 111.247 -177.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.594 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 61.1 t -119.66 117.36 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 121.546 0.689 . . . . 64.2 111.561 177.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.82 171.69 25.33 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-N 115.616 -0.72 . . . . 64.11 112.407 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.82 138.94 55.18 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.029 0.442 . . . . 61.5 111.9 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -73.96 82.05 1.7 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.254 0.549 . . . . 73.55 111.647 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -90.97 160.71 15.5 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.618 0.723 . . . . 73.32 112.657 172.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -72.61 48.14 0.19 Allowed 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.914 -1.039 . . . . 72.12 112.961 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.06 -26.42 0.1 OUTLIER Glycine 0 CA--C 1.528 0.883 0 CA-C-N 116.291 -0.413 . . . . 52.01 113.069 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.517 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 53.0 mmm -53.29 -50.93 63.87 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.926 0.713 . . . . 72.23 112.926 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 65.6 p -57.28 -32.44 66.63 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 111.962 0.356 . . . . 61.45 111.962 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -76.43 -43.27 40.88 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.097 0.475 . . . . 74.01 111.384 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.517 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.6 pt20 -72.37 -35.53 68.51 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.401 -0.363 . . . . 74.43 111.613 -177.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.428 ' O ' HG13 ' B' ' 26' ' ' ILE . 15.5 mm -60.93 -54.57 33.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 112.156 0.428 . . . . 72.33 112.156 -176.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.561 HG21 HG21 ' A' ' 23' ' ' THR . 2.9 m -73.62 -29.14 62.18 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.209 0.528 . . . . 73.3 110.579 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.72 -43.23 98.01 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.992 -0.549 . . . . 44.34 112.624 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.559 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . 80.7 t -69.48 -37.89 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 O-C-N 122.621 -0.341 . . . . 71.01 111.32 176.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 22' ' ' ILE . 70.6 mt -56.03 -45.54 80.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.881 0.372 . . . . 75.34 111.807 176.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 85.6 p -58.66 -22.25 56.34 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.192 0.442 . . . . 73.21 112.192 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' B' ' 25' ' ' VAL . 45.2 mtmt -81.07 0.18 37.13 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.373 0.509 . . . . 73.34 112.373 -178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -71.09 156.76 39.22 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 120.95 0.405 . . . . 71.45 111.468 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.27 -20.76 66.2 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.191 0.52 . . . . 64.21 111.468 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' THR . . . . . 0.435 HG21 HD13 ' B' ' 51' ' ' ILE . 7.0 t -92.98 161.34 14.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.993 -0.549 . . . . 52.11 112.201 -174.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASN . . . . . 0.408 ' OD1' ' HA2' ' A' ' 17' ' ' GLY . 42.1 t30 -99.84 129.59 45.95 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.904 -0.589 . . . . 63.11 110.936 -178.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.521 ' HA ' HG22 ' B' ' 51' ' ' ILE . 73.0 mt -67.03 126.86 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.206 0.527 . . . . 61.42 111.08 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -103.27 -31.6 10.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.353 0.596 . . . . 73.54 110.201 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 53.7 m -154.79 132.04 11.07 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.562 -0.745 . . . . 63.33 110.392 174.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.67 HG22 ' HB3' ' A' ' 38' ' ' LEU . 10.4 tp -139.17 128.02 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 121.218 0.532 . . . . 70.04 110.628 176.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 57.6 t -128.35 143.8 39.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.422 -0.353 . . . . 63.2 110.704 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.541 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.3 tt -144.29 128.19 17.4 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.575 0.226 . . . . 55.14 110.501 176.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -143.91 145.5 32.32 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.738 0.304 . . . . 75.14 110.998 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -111.33 121.44 45.25 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.29 0.567 . . . . 62.43 111.657 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -138.4 150.26 46.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.517 -0.765 . . . . 52.35 109.92 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 59.88 20.01 8.96 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.855 0.36 . . . . 54.42 111.788 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.04 4.7 90.49 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 121.208 -0.52 . . . . 61.4 113.13 -175.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.7 mt -119.77 164.6 15.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 N-CA-C 109.447 -0.575 . . . . 72.05 109.447 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 18.2 p90 -125.33 150.9 46.72 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.735 -0.603 . . . . 44.45 110.773 175.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.404 ' HB ' HG22 ' B' ' 11' ' ' VAL . 3.6 t -128.32 125.62 39.13 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.046 0.45 . . . . 65.52 110.794 174.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.663 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.9 t -112.7 126.03 54.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.152 -0.476 . . . . 72.12 111.598 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -101.81 106.3 17.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.532 0.333 . . . . 74.24 110.782 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.585 HD23 HD12 ' B' ' 8' ' ' ILE . 56.8 tp -100.55 121.44 41.6 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.969 0.414 . . . . 62.2 111.977 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.413 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.0 mmm -115.99 109.03 17.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.863 0.363 . . . . 63.33 111.159 177.184 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.521 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -143.61 160.97 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 116.229 -0.441 . . . . 72.33 111.957 -176.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -89.18 139.19 30.73 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.901 0.381 . . . . 73.21 111.689 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 13.7 m -131.0 141.8 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 121.005 0.431 . . . . 54.25 111.639 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.528 ' HE2' ' ND2' ' B' ' 55' ' ' ASN . 21.4 ptmt -64.21 -40.48 96.16 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.112 -0.495 . . . . 61.44 111.973 175.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.528 ' ND2' ' HE2' ' B' ' 54' ' ' LYS . 89.6 m-20 -139.77 162.56 34.83 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.18 0.514 . . . . 63.11 111.894 -174.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 77.8 p -63.79 -40.53 96.89 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.874 -0.603 . . . . 74.3 111.221 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -40.94 96.81 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.31 0.576 . . . . 62.23 111.183 176.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -56.62 -39.79 74.24 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.822 -0.627 . . . . 53.43 110.668 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.86 -47.66 74.16 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.271 -0.422 . . . . 71.42 111.216 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' B' ' 63' ' ' MET . 69.1 p -64.59 -27.71 69.13 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.992 0.425 . . . . 51.23 111.307 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 99.3 m -66.57 -39.75 88.63 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.903 0.382 . . . . 70.23 111.234 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.23 -36.83 78.61 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.929 0.395 . . . . 52.41 110.579 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.412 ' HA ' HG11 ' B' ' 75' ' ' VAL . 61.7 mtt -56.11 -46.57 79.07 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.081 -0.508 . . . . 75.31 110.64 174.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.512 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 31.3 t70 -55.74 -50.11 71.27 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.947 -0.57 . . . . 71.21 111.006 177.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -57.47 -45.96 84.21 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.208 0.528 . . . . 63.13 111.876 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.562 HD13 HD11 ' B' ' 10' ' ' ILE . 56.1 mt -72.78 -30.43 64.09 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.27 0.557 . . . . 60.21 111.55 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 67' ' ' ARG . 46.2 ttm180 -71.89 -13.25 61.6 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.036 -0.529 . . . . 70.51 111.869 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 74.7 mmtt -72.29 -15.45 61.9 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 111.988 0.366 . . . . 71.13 111.988 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 49.0 t -80.82 117.82 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 120.822 0.344 . . . . 71.11 111.594 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -56.54 -31.31 64.02 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.447 0.536 . . . . 52.15 112.447 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.487 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -69.09 -21.4 75.53 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 121.293 -0.48 . . . . 73.22 113.774 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -95.34 141.63 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 117.214 0.507 . . . . 73.5 111.267 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.78 -14.39 7.69 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.457 0.539 . . . . 64.15 112.457 176.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.594 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.0 OUTLIER -130.31 128.56 41.76 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.12 0.486 . . . . 74.25 111.559 175.434 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.412 HG11 ' HA ' ' B' ' 63' ' ' MET . 25.9 t -128.25 105.33 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 109.622 -0.511 . . . . 74.54 109.622 173.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' B' ' 9' ' ' ARG . 43.5 mt-10 -118.32 164.64 14.91 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.395 0.617 . . . . 72.32 112.654 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -101.87 141.7 34.32 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.79 -0.641 . . . . 54.34 110.751 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -96.13 106.53 18.72 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.036 0.446 . . . . 64.14 110.706 176.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 83.6 p -81.93 -56.95 3.64 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.0 0.429 . . . . 71.14 111.967 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -77.29 100.05 5.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.022 0.439 . . . . 75.53 111.357 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 121.319 0.58 . . . . 61.54 112.197 -177.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.5 p90 . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 121.219 0.533 . . . . 74.15 111.09 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -78.08 103.68 8.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.918 -0.583 . . . . 75.2 111.215 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.22 158.69 15.32 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.903 -0.59 . . . . 71.31 111.43 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.91 151.0 20.08 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 121.056 -0.592 . . . . 54.4 113.469 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 mt -136.91 146.04 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 122.984 0.514 . . . . 70.32 110.506 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.499 ' HB2' HD21 ' A' ' 78' ' ' LEU . 59.2 ttt180 -122.18 131.42 53.94 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 122.025 -0.422 . . . . 60.14 110.947 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 46' ' ' THR . 31.8 mt -120.72 117.51 53.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.242 -0.435 . . . . 64.22 111.247 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.59 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 73.3 t -118.01 116.93 53.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.686 0.755 . . . . 75.34 111.122 175.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.01 167.76 25.56 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.373 -0.831 . . . . 71.3 112.412 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.45 139.79 57.99 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.025 0.441 . . . . 64.03 111.738 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.41 75.16 3.97 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.346 0.593 . . . . 71.53 111.778 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -88.42 154.42 20.39 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.096 0.474 . . . . 72.4 112.174 170.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -46.98 -38.84 11.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.445 -0.798 . . . . 62.54 112.962 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.77 -12.65 34.28 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.912 -0.661 . . . . 43.22 114.142 -176.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.551 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 56.0 mmm -69.75 -51.83 30.64 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 117.841 0.82 . . . . 63.13 112.704 -173.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.4 p -59.78 -33.94 72.36 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.042 0.449 . . . . 74.22 111.387 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.517 ' HA ' HD12 ' B' ' 33' ' ' ILE . 1.9 m-20 -76.39 -48.63 19.16 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.074 0.464 . . . . 75.31 110.908 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.551 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.2 pt20 -67.25 -35.64 79.96 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.375 -0.375 . . . . 73.12 111.738 -176.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.1 mm -63.56 -54.31 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 112.28 0.474 . . . . 72.11 112.28 -177.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.3 m -71.01 -27.45 63.7 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.261 0.553 . . . . 75.13 110.257 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.498 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -62.94 -49.65 70.47 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.168 -0.539 . . . . 72.45 112.265 172.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.513 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 54.2 t -59.42 -36.35 63.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 O-C-N 122.556 -0.379 . . . . 62.24 111.372 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 49' ' ' LEU . 75.2 mt -60.36 -44.89 96.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.286 -0.416 . . . . 75.53 111.604 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.4 p -63.39 -24.94 68.06 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.08 0.467 . . . . 40.03 111.022 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 54.4 mtpt -77.68 -4.74 47.65 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.052 -0.522 . . . . 73.41 111.812 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -65.48 166.51 10.24 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.963 0.887 . . . . 74.11 113.388 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.84 34.08 0.66 Allowed 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 114.616 -1.174 . . . . 73.23 110.898 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.9 t -151.88 149.22 28.72 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.343 -0.389 . . . . 73.43 111.135 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.405 HD22 ' NH1' ' A' ' 34' ' ' ARG . 8.0 t30 -90.31 127.74 36.25 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.04 0.448 . . . . 73.52 111.181 -177.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.416 ' HA ' HG22 ' A' ' 51' ' ' ILE . 66.8 mt -63.03 123.16 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 112.34 0.496 . . . . 71.25 112.34 -175.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.405 ' NH1' HD22 ' A' ' 32' ' ' ASN . 28.1 mmt180 -96.87 -39.29 9.47 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.245 0.545 . . . . 73.45 110.598 176.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.548 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 24.8 m -149.79 146.1 26.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.999 -0.546 . . . . 74.42 110.19 172.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.584 HG22 ' HB3' ' B' ' 38' ' ' LEU . 19.3 tt -157.88 131.63 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.085 0.469 . . . . 73.5 111.726 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.627 HG13 HG22 ' B' ' 37' ' ' VAL . 62.1 t -133.64 104.82 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 116.332 -0.394 . . . . 72.52 111.726 -178.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.573 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.0 tt -104.72 116.58 32.27 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.771 -0.455 . . . . 70.21 109.771 174.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -128.73 128.9 44.95 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.901 0.382 . . . . 61.43 111.321 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -96.77 109.95 22.52 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.029 0.442 . . . . 72.05 111.247 177.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.708 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -123.93 141.06 52.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.062 -0.517 . . . . 73.44 110.603 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 64.24 6.81 3.15 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.622 0.601 . . . . 51.22 112.622 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.74 7.5 50.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 121.174 -0.536 . . . . 64.43 113.544 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.5 mt -131.89 149.83 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 122.331 -0.511 . . . . 53.32 110.02 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.533 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 39.1 p90 -114.51 146.22 40.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.027 0.441 . . . . 43.34 111.634 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 2.1 t -122.99 102.61 8.1 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.874 -0.603 . . . . 74.21 111.058 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 38' ' ' LEU . 42.2 t -91.32 111.29 22.71 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.025 0.441 . . . . 72.43 111.303 177.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.3 m-20 -97.47 111.2 23.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.207 -0.451 . . . . 62.54 111.14 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD13 HG21 ' A' ' 26' ' ' ILE . 57.7 tp -98.65 138.09 36.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.921 0.391 . . . . 70.43 111.783 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.548 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.5 mmm -131.38 114.22 14.71 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.392 -0.367 . . . . 71.53 111.126 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.416 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.6 pp -145.48 162.16 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 122.569 0.347 . . . . 71.24 111.876 -176.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -89.6 139.88 30.1 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.87 0.367 . . . . 73.31 111.869 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.5 m -135.96 152.38 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.1 -0.5 . . . . 62.34 110.776 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -84.4 -32.36 24.19 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.919 0.39 . . . . 75.21 111.77 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.529 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 79.0 m-20 -131.39 155.67 46.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.329 -0.396 . . . . 74.54 111.374 -176.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.6 p -72.84 -30.62 64.16 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 122.18 -0.325 . . . . 74.45 111.108 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.11 -32.49 74.08 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.755 0.788 . . . . 71.22 109.814 175.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 51.5 tptt -61.87 -47.32 85.53 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.917 -1.038 . . . . 75.25 110.812 172.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.43 -47.34 86.53 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.141 -0.481 . . . . 74.25 111.748 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.5 p -62.1 -27.33 68.84 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.688 0.28 . . . . 72.43 111.58 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.0 m -61.96 -42.97 99.73 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.053 0.454 . . . . 63.22 111.219 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.5 -39.48 91.14 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.322 -0.399 . . . . 62.12 111.189 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.4 mtt -52.98 -51.07 62.79 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.139 0.495 . . . . 73.54 110.735 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.98 -47.11 81.58 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.742 -0.663 . . . . 71.44 111.132 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.434 ' NZ ' ' HB3' ' A' ' 65' ' ' LYS . 8.6 mtpm? -58.16 -34.23 70.08 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.12 -0.491 . . . . 70.5 111.866 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.404 HD13 HD11 ' A' ' 10' ' ' ILE . 60.3 mt -79.38 -33.47 42.79 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.129 0.49 . . . . 62.42 111.488 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.417 ' HE ' ' HB ' ' A' ' 75' ' ' VAL . 99.2 mtt180 -70.37 -6.5 35.86 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.139 -0.482 . . . . 71.15 112.213 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -71.11 -17.09 62.59 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.68 0.276 . . . . 73.42 111.298 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -86.61 122.52 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-O 121.189 0.519 . . . . 61.3 112.204 -172.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -53.1 -39.96 63.77 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.267 0.84 . . . . 73.44 113.267 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.38 -18.36 79.3 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 121.073 -0.584 . . . . 65.25 114.495 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.459 HG23 ' HE1' ' A' ' 18' ' ' MET . 61.1 t -89.73 139.08 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 117.667 0.734 . . . . 73.31 111.799 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -121.64 -12.02 8.56 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.51 0.559 . . . . 64.14 112.51 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.59 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 2.8 p -134.09 123.14 23.97 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.999 0.428 . . . . 62.2 111.623 174.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.417 ' HB ' ' HE ' ' A' ' 67' ' ' ARG . 45.1 t -134.23 104.82 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 109.625 -0.509 . . . . 75.54 109.625 172.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -129.33 170.03 14.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.021 0.438 . . . . 72.53 112.075 -171.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -92.31 133.95 35.37 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.465 -0.334 . . . . 72.31 111.427 176.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 9' ' ' ARG . 95.4 mt -83.87 95.34 8.45 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.461 -0.57 . . . . 72.31 109.461 170.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 75.3 p -84.0 -53.42 5.57 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.989 0.424 . . . . 74.32 111.586 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -69.43 97.13 0.95 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.252 0.549 . . . . 71.33 110.493 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.1 mt . . . . . 0 CA--C 1.537 0.464 0 CA-C-N 116.062 -0.517 . . . . 72.45 112.023 -178.719 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 121.179 0.514 . . . . 65.21 112.217 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -139.04 153.78 48.13 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.922 0.392 . . . . 72.52 110.5 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 51.2 tp -75.54 105.7 6.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.286 0.565 . . . . 65.0 110.694 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.411 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -94.42 152.97 18.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.772 -0.649 . . . . 72.34 111.889 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.77 128.56 5.36 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.308 -0.472 . . . . 73.22 113.319 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' B' ' 48' ' ' ASN . 50.4 mt -115.63 147.23 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 122.562 0.345 . . . . 62.34 110.936 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -123.55 128.63 50.02 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.737 0.303 . . . . 54.0 110.994 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.924 HD11 HD13 ' B' ' 66' ' ' LEU . 51.6 mt -123.08 117.84 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 116.347 -0.388 . . . . 70.11 111.393 -178.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.598 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 70.5 t -118.81 117.71 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.643 0.735 . . . . 60.23 111.21 175.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.15 169.74 26.18 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.398 -0.819 . . . . 63.03 112.491 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.49 126.83 30.69 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.271 0.557 . . . . 72.53 111.655 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.04 114.22 4.01 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.985 0.422 . . . . 72.34 110.657 177.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.442 ' HB2' ' CG ' ' B' ' 18' ' ' MET . 22.4 mtpp -123.26 -177.38 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.508 0.671 . . . . 64.42 112.121 -177.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -46.82 -29.85 2.17 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.723 -1.126 . . . . 73.35 113.493 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.79 31.44 0.41 Allowed Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.807 -0.711 . . . . 73.13 113.515 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.487 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 30.3 mmm -73.6 -49.69 24.93 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 122.411 -0.464 . . . . 74.02 112.199 -177.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 73.4 p -58.99 -32.28 69.54 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.022 0.439 . . . . 71.44 111.298 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -76.45 -48.89 18.14 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.103 -0.499 . . . . 73.31 111.163 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.538 ' O ' HG23 ' B' ' 25' ' ' VAL . 8.7 pt20 -64.12 -39.64 94.46 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.617 -0.265 . . . . 71.53 111.272 -177.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.41 HD13 HG21 ' B' ' 69' ' ' VAL . 12.3 mm -60.69 -53.95 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.936 0.398 . . . . 62.0 111.881 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.419 ' HA ' HD12 ' B' ' 26' ' ' ILE . 6.3 m -70.18 -27.05 64.21 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.306 0.574 . . . . 53.45 110.367 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.534 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -61.92 -52.24 51.62 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-N 115.975 -0.557 . . . . 54.02 112.015 172.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 21' ' ' GLN . 90.8 t -55.85 -40.28 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 121.003 0.43 . . . . 64.32 110.904 175.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.452 ' CG2' HD13 ' B' ' 49' ' ' LEU . 57.9 mt -54.53 -47.2 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 CA-C-N 115.908 -0.587 . . . . 64.51 111.628 174.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 82.7 p -70.64 -21.47 62.62 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 120.743 0.306 . . . . 62.24 111.431 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 99.0 mttt -75.32 -6.65 51.0 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.268 0.47 . . . . 62.53 112.268 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -69.66 170.05 11.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.866 0.841 . . . . 73.13 112.733 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.39 -29.44 26.21 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.15 -0.932 . . . . 54.4 111.924 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.9 t -77.74 160.27 28.53 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.117 0.484 . . . . 40.32 112.109 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -94.32 124.35 38.29 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.976 0.417 . . . . 75.2 111.855 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.518 ' HA ' HG22 ' B' ' 51' ' ' ILE . 67.4 mt -67.12 112.86 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 116.127 -0.488 . . . . 74.33 111.571 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' B' ' 34' ' ' ARG . 0.1 OUTLIER -89.53 -32.6 17.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.337 0.589 . . . . 73.41 110.343 177.803 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 19.0 m -157.44 149.37 22.36 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.994 -0.548 . . . . 71.03 110.813 175.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.573 HG22 ' HB3' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -149.17 133.74 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 120.743 0.306 . . . . 75.33 110.309 172.424 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.627 HG22 HG13 ' A' ' 37' ' ' VAL . 62.5 t -133.76 105.75 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 120.776 0.322 . . . . 71.3 111.716 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.584 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.3 tt -113.48 133.17 55.36 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 122.334 0.253 . . . . 55.3 110.691 178.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -141.03 133.44 28.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.185 0.517 . . . . 72.42 111.302 172.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -105.09 127.56 52.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.252 0.548 . . . . 73.45 111.02 177.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.587 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -142.77 140.94 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.836 -0.62 . . . . 75.34 110.451 179.33 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 56.14 27.03 10.91 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.202 0.525 . . . . 72.01 111.864 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.68 5.75 81.15 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 116.207 -0.451 . . . . 73.41 114.172 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 mt -128.62 140.43 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 117.542 0.671 . . . . 64.22 111.282 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.573 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 38.6 p90 -110.81 146.85 35.69 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.915 0.388 . . . . 73.44 111.265 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.489 ' HB ' HG22 ' B' ' 11' ' ' VAL . 3.0 t -124.31 107.32 11.03 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.084 -0.507 . . . . 63.3 110.747 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' B' ' 36' ' ' ILE . 42.2 t -101.1 122.25 43.25 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.125 -0.488 . . . . 54.41 111.3 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' B' ' 8' ' ' ILE . 64.7 m-20 -105.22 117.66 34.58 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.79 0.329 . . . . 74.13 111.219 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' B' ' 26' ' ' ILE . 28.4 tp -98.96 126.93 44.77 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.922 0.391 . . . . 74.21 111.605 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.528 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 65.7 mmm -118.47 106.93 13.19 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.146 0.498 . . . . 72.41 111.386 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.518 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.2 pp -138.96 160.75 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 115.977 -0.556 . . . . 43.22 111.506 -177.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.25 132.35 36.18 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.928 0.394 . . . . 65.24 111.611 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.1 m -126.78 145.78 33.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 116.118 -0.492 . . . . 63.01 110.894 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -81.13 -18.35 46.73 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.881 0.372 . . . . 74.22 111.597 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -158.44 164.94 35.76 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.111 -0.495 . . . . 70.22 111.064 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 81.4 p -70.52 -30.68 67.51 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.231 0.456 . . . . 75.13 112.231 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -59.11 -41.26 87.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.0 0.429 . . . . 64.33 111.496 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -57.27 -51.15 70.51 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.084 0.469 . . . . 72.13 110.648 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.411 HD13 ' HB1' ' B' ' 6' ' ' ALA . 50.5 tp -57.23 -47.35 81.56 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.833 -0.621 . . . . 74.11 112.407 -177.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' THR . . . . . 0.426 ' HA ' ' HG3' ' B' ' 63' ' ' MET . 9.2 t -73.46 -29.44 62.54 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.182 0.438 . . . . 72.31 112.182 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 97.3 m -63.67 -33.85 76.56 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.087 0.47 . . . . 71.34 110.508 173.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.55 -37.69 88.44 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.527 -0.306 . . . . 74.22 110.616 173.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.426 ' HG3' ' HA ' ' B' ' 60' ' ' THR . 50.0 mtt -53.99 -50.7 65.97 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.226 0.536 . . . . 74.32 109.803 173.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.15 -53.66 50.28 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.459 -0.791 . . . . 72.25 111.95 176.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -58.09 -36.28 72.62 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.128 0.418 . . . . 62.32 112.128 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.924 HD13 HD11 ' B' ' 10' ' ' ILE . 63.5 mt -81.57 -25.81 35.5 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.981 0.419 . . . . 74.34 111.365 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' B' ' 67' ' ' ARG . 37.0 ttm180 -73.68 -14.33 61.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.852 0.358 . . . . 74.32 111.774 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -72.4 -3.92 27.0 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.1 0.408 . . . . 75.21 112.1 -177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.442 HG12 ' H ' ' B' ' 71' ' ' GLY . 88.7 t -85.91 126.58 40.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 121.214 0.53 . . . . 71.0 111.378 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.22 -31.42 69.03 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.036 0.754 . . . . 72.05 113.036 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.442 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -79.05 -12.92 83.58 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 121.063 -0.589 . . . . 53.21 114.414 -175.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 59.8 t -92.02 142.7 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 117.694 0.747 . . . . 72.02 112.225 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -127.68 -4.2 5.91 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.562 0.579 . . . . 55.4 112.562 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.598 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.2 p -137.78 129.09 27.81 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 122.021 -0.424 . . . . 72.41 111.474 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 t -141.76 106.5 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 109.568 -0.53 . . . . 72.32 109.568 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -143.07 160.08 41.06 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.733 0.642 . . . . 70.12 112.733 -169.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -87.62 120.02 28.51 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.215 -0.448 . . . . 74.0 111.381 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.3 -40.69 78.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.209 -0.45 . . . . 63.41 111.25 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 47.7 m 69.84 -71.49 0.12 Allowed 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.635 -0.711 . . . . 73.44 112.565 173.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -81.11 130.61 35.1 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.77 0.319 . . . . 75.41 110.556 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 112.29 0.478 . . . . 72.22 112.29 -174.05 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.4 p90 . . . . . 0 C--O 1.233 0.193 0 CA-C-O 121.116 0.484 . . . . 74.21 110.379 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.7 tp -78.78 105.89 10.39 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.476 . . . . 73.41 111.377 -178.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.49 143.68 32.4 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.932 -0.576 . . . . 70.21 111.506 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.83 144.17 18.13 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 121.158 -0.544 . . . . 71.03 112.945 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.671 HD12 HD23 ' A' ' 49' ' ' LEU . 46.2 mt -131.83 145.2 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.809 0.444 . . . . 75.22 110.282 177.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.492 ' HB2' HD21 ' A' ' 78' ' ' LEU . 73.3 ttt180 -128.83 128.03 43.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.942 0.401 . . . . 42.11 111.18 175.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.473 HD11 HD13 ' A' ' 66' ' ' LEU . 14.8 mt -117.17 117.13 54.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 115.878 -0.601 . . . . 74.14 110.926 -178.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.603 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 73.6 t -117.41 108.41 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 121.701 0.763 . . . . 51.44 111.277 175.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.12 158.68 23.69 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.139 -0.937 . . . . 70.32 111.841 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.56 133.4 43.54 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.367 0.584 . . . . 64.31 111.631 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.77 106.26 3.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.187 0.518 . . . . 54.53 111.241 -177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 18' ' ' MET . 22.3 ptmt -156.69 141.73 17.19 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.336 -0.393 . . . . 74.2 112.042 -178.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 60.66 11.06 2.9 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.764 0.653 . . . . 62.15 112.764 171.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.92 34.43 8.95 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 121.034 -0.603 . . . . 51.12 113.014 -177.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 45.1 mtp -59.14 -40.01 84.15 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.565 -0.374 . . . . 72.33 111.822 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.4 p -55.01 -34.83 63.8 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.871 0.367 . . . . 74.21 111.665 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.563 ' O ' ' HB2' ' B' ' 27' ' ' SER . 15.6 m120 -76.06 -49.37 17.68 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.314 -0.403 . . . . 73.02 110.957 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.561 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 10.1 pt20 -64.92 -42.59 94.58 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.768 0.318 . . . . 71.04 111.27 -178.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 13.1 mm -58.03 -53.87 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 112.198 0.444 . . . . 74.33 112.198 -177.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.425 ' O ' ' HB ' ' A' ' 26' ' ' ILE . 7.0 m -70.45 -26.07 63.48 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.221 0.534 . . . . 72.11 110.299 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.0 -43.21 99.48 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.084 -0.579 . . . . 61.32 112.362 170.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 21' ' ' GLN . 88.8 t -62.9 -35.35 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.945 0.402 . . . . 61.3 110.85 175.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.715 HD12 HD22 ' A' ' 49' ' ' LEU . 47.5 mm -51.76 -46.17 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 116.057 -0.519 . . . . 75.25 111.752 176.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.4 p -64.59 -22.89 67.09 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.86 0.362 . . . . 64.25 111.373 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -86.13 20.26 2.38 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 111.877 0.325 . . . . 71.42 111.877 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.446 ' CG ' HD22 ' A' ' 62' ' ' LEU . 21.3 m-30 -97.24 -4.77 38.28 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.674 0.62 . . . . 70.23 112.674 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.8 t70 69.42 -2.09 2.0 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 112.166 0.432 . . . . 65.31 112.166 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.9 t -100.5 155.1 18.03 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 122.038 -0.414 . . . . 52.13 112.035 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.451 ' O ' HG22 ' A' ' 51' ' ' ILE . 27.0 t-20 -80.5 123.57 28.19 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.941 0.4 . . . . 72.05 111.757 -177.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.506 ' HA ' HG22 ' A' ' 51' ' ' ILE . 68.6 mt -74.94 106.61 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 116.253 -0.43 . . . . 74.32 111.456 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.19 -35.39 21.69 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.015 0.436 . . . . 73.51 110.459 177.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.559 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 5.8 m -153.94 146.97 24.53 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.957 -0.565 . . . . 75.14 110.705 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.592 HG22 ' HB3' ' B' ' 38' ' ' LEU . 16.7 tt -157.12 133.26 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 120.863 0.364 . . . . 63.23 111.205 172.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.509 HG22 HG13 ' B' ' 37' ' ' VAL . 59.0 t -135.34 105.19 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.907 0.384 . . . . 73.32 111.543 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.63 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.4 tt -109.03 119.36 39.33 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.969 -0.382 . . . . 63.4 109.969 176.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -131.55 133.45 45.06 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.939 0.399 . . . . 74.25 111.019 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.71 117.04 34.01 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.22 0.533 . . . . 75.11 111.592 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HG2' ' OD2' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -141.09 153.65 45.55 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.888 -0.597 . . . . 72.1 109.68 176.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' OD2' ' HG2' ' A' ' 41' ' ' LYS . 32.1 m-20 64.09 11.43 6.18 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.763 0.316 . . . . 54.24 111.528 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.53 2.24 76.58 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 121.65 -0.31 . . . . 71.51 113.216 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.6 mt -125.39 150.49 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 122.541 0.336 . . . . 72.11 110.738 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.541 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 43.4 p90 -115.04 143.62 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.243 0.544 . . . . 71.51 111.481 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 1.8 t -118.32 100.37 7.45 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.781 -0.645 . . . . 51.12 111.002 176.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.3 t -88.06 108.39 19.21 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.016 0.436 . . . . 63.45 111.461 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.457 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.1 m-20 -94.38 110.8 22.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.294 -0.412 . . . . 74.53 111.185 177.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.715 HD22 HD12 ' A' ' 26' ' ' ILE . 48.3 tp -98.14 134.23 41.48 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.916 0.389 . . . . 72.22 111.761 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.559 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 70.6 mmm -127.92 108.68 10.89 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.059 0.457 . . . . 70.01 111.164 176.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.506 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -141.07 168.0 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.154 -0.475 . . . . 61.4 111.747 -175.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -96.18 138.26 34.05 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.891 0.377 . . . . 73.21 111.535 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.4 m -132.26 142.35 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.944 0.402 . . . . 53.54 111.417 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -61.86 -41.42 97.82 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.203 0.525 . . . . 61.24 111.876 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -149.49 171.59 16.35 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.324 -0.398 . . . . 60.12 111.353 -176.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.8 p -71.31 -25.59 62.49 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.55 0.574 . . . . 61.23 112.55 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.11 -40.4 90.68 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.406 0.622 . . . . 74.22 110.229 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -58.17 -41.17 83.26 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.497 -0.774 . . . . 62.43 110.791 173.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.32 -48.0 74.6 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.283 -0.417 . . . . 75.33 111.501 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.6 p -65.09 -27.98 69.14 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.684 0.278 . . . . 70.33 111.182 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.5 m -63.59 -42.75 98.25 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.966 0.412 . . . . 60.52 110.735 175.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.446 HD22 ' CG ' ' A' ' 29' ' ' PHE . 12.2 mt -63.98 -50.15 69.71 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.373 -0.376 . . . . 63.02 111.109 178.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.411 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 75.7 mtm -58.79 -34.69 71.77 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.479 -0.328 . . . . 63.21 111.359 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -63.75 -48.16 78.1 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.966 0.412 . . . . 75.34 110.774 174.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -55.85 -33.97 65.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.077 -0.51 . . . . 63.51 111.571 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.473 HD13 HD11 ' A' ' 10' ' ' ILE . 59.1 mt -78.64 -36.92 43.25 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.109 -0.496 . . . . 63.41 111.91 177.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 63' ' ' MET . 97.7 mtt180 -67.08 -7.45 23.06 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.758 0.651 . . . . 72.44 112.758 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -75.21 -12.41 60.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.429 0.529 . . . . 75.12 112.429 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 63.4 t -82.35 115.51 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.037 0.446 . . . . 72.41 111.555 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -59.06 -31.34 68.78 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.569 0.581 . . . . 64.32 112.569 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.528 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -74.09 -17.7 79.56 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 120.829 -0.7 . . . . 71.34 113.628 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -92.18 137.62 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 122.196 -0.591 . . . . 74.02 111.279 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -122.6 -2.51 8.88 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.757 0.651 . . . . 70.31 112.757 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.603 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 5.1 p -143.42 123.27 13.45 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.892 0.377 . . . . 75.15 111.446 173.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.433 HG11 ' HB2' ' A' ' 66' ' ' LEU . 26.4 t -139.27 102.78 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 109.438 -0.579 . . . . 73.31 109.438 171.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -133.79 162.12 32.86 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.517 -0.31 . . . . 72.02 111.441 -173.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -74.5 143.6 44.51 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.934 0.397 . . . . 74.12 111.512 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 9' ' ' ARG . 64.9 mt -89.51 119.34 29.86 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.756 0.312 . . . . 73.21 111.683 176.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.3 t -92.68 -14.04 28.6 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.441 0.639 . . . . 72.23 110.529 173.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -110.73 109.99 20.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.044 -0.526 . . . . 54.53 110.611 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.442 HD22 ' SD ' ' A' ' 50' ' ' MET . 36.7 mt . . . . . 0 CA--C 1.541 0.631 0 CA-C-O 121.122 0.487 . . . . 72.55 111.793 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.493 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 7.4 m-20 . . . . . 0 C--O 1.238 0.455 0 CA-C-O 120.875 0.369 . . . . 65.3 110.839 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -130.75 156.15 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.234 0.54 . . . . 74.24 110.566 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.3 tp -81.62 105.7 12.98 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.78 -0.645 . . . . 74.2 110.532 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.498 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -93.18 147.24 23.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.112 -0.494 . . . . 73.02 111.846 -176.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' B' ' 49' ' ' LEU . . . -125.14 142.86 14.15 Favored Glycine 0 CA--C 1.524 0.62 0 CA-C-N 115.95 -0.568 . . . . 65.11 113.381 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.576 HD12 HD23 ' B' ' 49' ' ' LEU . 38.7 mt -128.08 140.36 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 122.689 0.396 . . . . 64.54 110.612 177.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.558 ' HB2' HD21 ' B' ' 78' ' ' LEU . 49.6 ttt180 -114.49 122.89 47.97 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.942 0.401 . . . . 74.52 111.182 173.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' B' ' 47' ' ' CYS . 28.2 mt -111.99 117.43 55.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.96 -0.564 . . . . 74.14 110.812 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.648 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 59.3 t -120.38 110.79 29.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-O 121.519 0.676 . . . . 75.22 111.023 175.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.58 161.42 23.99 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.384 -0.826 . . . . 63.2 112.395 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.95 149.58 48.68 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.778 0.659 . . . . 74.02 112.778 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.87 97.81 0.69 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.842 -0.617 . . . . 74.12 110.599 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.502 ' HB2' ' HB2' ' B' ' 18' ' ' MET . 58.3 mmtt -100.71 -178.9 3.92 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 122.172 0.987 . . . . 73.13 111.739 175.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -57.34 -46.48 83.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 113.802 -1.544 . . . . 75.53 111.625 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.29 25.35 2.18 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 120.756 -0.735 . . . . 73.41 114.351 -175.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.512 ' SD ' HG11 ' B' ' 69' ' ' VAL . 22.4 mmm -67.88 -50.47 56.21 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 117.502 0.651 . . . . 74.42 111.603 177.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 77.1 p -56.58 -32.26 65.04 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.068 0.461 . . . . 72.01 111.349 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -75.7 -48.26 22.7 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.06 -0.518 . . . . 72.33 110.938 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.562 ' O ' HG23 ' B' ' 25' ' ' VAL . 10.4 pt20 -67.73 -38.77 84.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.257 -0.429 . . . . 72.43 111.467 -178.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.551 ' O ' HG12 ' B' ' 26' ' ' ILE . 14.3 mm -59.87 -54.35 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 112.236 0.458 . . . . 65.1 112.236 -176.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.5 m -70.63 -26.52 63.51 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.235 0.54 . . . . 53.1 110.318 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.4 99.73 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.961 -0.563 . . . . 73.11 111.96 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 21' ' ' GLN . 84.2 t -64.98 -41.05 91.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 120.956 0.408 . . . . 74.41 110.497 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.551 HG12 ' O ' ' B' ' 22' ' ' ILE . 50.4 mm -56.63 -45.69 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 121.059 0.457 . . . . 75.41 111.659 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' SER . . . . . 0.563 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 68.3 p -61.99 -41.27 97.86 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.385 -0.371 . . . . 63.1 111.783 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -87.75 15.15 7.31 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.191 0.441 . . . . 72.44 112.191 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' PHE . . . . . 0.415 ' HD1' ' HA ' ' B' ' 29' ' ' PHE . 0.4 OUTLIER -64.16 166.48 7.78 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.143 0.973 . . . . 75.21 113.09 177.758 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.79 35.26 0.67 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.39 -1.277 . . . . 71.24 111.604 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 10.2 t -155.89 167.2 31.17 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.022 -0.535 . . . . 65.14 110.848 173.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -93.81 126.78 39.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.965 0.412 . . . . 63.01 111.551 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.498 ' HA ' HG22 ' B' ' 51' ' ' ILE . 70.2 mt -66.97 127.97 29.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 116.238 -0.437 . . . . 43.11 111.235 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 34' ' ' ARG . 17.3 mmm180 -104.61 -38.01 6.9 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.542 0.687 . . . . 72.23 109.724 174.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.555 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 87.0 m -153.23 131.64 12.1 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.435 -0.802 . . . . 70.31 110.124 174.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.63 HG22 ' HB3' ' A' ' 38' ' ' LEU . 9.6 tp -134.96 132.42 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.026 0.441 . . . . 73.15 110.56 176.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.509 HG13 HG22 ' A' ' 37' ' ' VAL . 60.4 t -127.0 147.3 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.387 -0.369 . . . . 72.45 110.515 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.592 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.6 tt -144.7 114.58 7.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.506 -0.553 . . . . 75.23 109.506 172.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -119.33 107.32 13.24 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.575 0.213 . . . . 64.54 111.575 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -88.47 107.98 19.15 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.132 0.491 . . . . 33.23 110.207 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -128.98 152.2 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.004 -0.544 . . . . 74.05 110.457 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 62.61 -72.97 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.407 0.623 . . . . 74.52 111.26 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.66 19.18 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 CA-C-N 115.804 -0.634 . . . . 51.14 111.724 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 mt -141.59 157.59 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 123.087 0.555 . . . . 74.35 109.72 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.521 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.1 p90 -119.65 136.22 54.49 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.929 0.395 . . . . 74.04 111.743 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.0 t -109.51 100.66 9.7 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.114 0.483 . . . . 71.03 110.744 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 42.5 t -92.27 116.88 29.35 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.261 -0.427 . . . . 61.51 111.22 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -104.51 112.08 25.0 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.667 0.27 . . . . 71.53 111.053 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.576 HD23 HD12 ' B' ' 8' ' ' ILE . 49.9 tp -98.41 131.38 44.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.874 0.369 . . . . 74.32 111.737 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.555 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 64.2 mmm -126.92 111.81 14.56 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.127 -0.488 . . . . 43.03 111.169 177.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.498 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.5 pp -143.96 159.36 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 116.218 -0.446 . . . . 63.53 111.612 -177.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -87.03 142.32 28.02 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.421 0.629 . . . . 54.34 112.363 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 21.4 m -141.1 160.6 22.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 115.58 -0.736 . . . . 72.41 110.592 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.588 ' H ' ' HD2' ' B' ' 54' ' ' LYS . 0.0 OUTLIER -99.04 -3.46 34.73 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.892 0.377 . . . . 73.52 111.495 177.837 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.49 ' ND2' ' HB3' ' B' ' 57' ' ' ASP . 23.2 p-10 -172.49 164.65 5.63 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.657 0.383 . . . . 75.2 111.158 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.401 ' O ' HG23 ' B' ' 60' ' ' THR . 76.8 p -73.05 -26.76 61.4 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.255 0.465 . . . . 54.32 112.255 -177.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.49 ' HB3' ' ND2' ' B' ' 55' ' ' ASN . 26.5 t70 -64.3 -37.14 86.44 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.584 0.706 . . . . 62.25 110.288 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -57.7 -42.68 84.21 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.442 -0.799 . . . . 53.13 110.649 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.501 HD21 ' HG3' ' B' ' 77' ' ' ARG . 54.7 tp -66.98 -44.12 81.25 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.712 -0.677 . . . . 72.43 111.781 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' THR . . . . . 0.401 HG23 ' O ' ' B' ' 56' ' ' THR . 67.9 p -62.24 -28.05 69.42 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 122.291 -0.256 . . . . 74.12 111.517 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.476 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 81.9 m -60.09 -47.62 85.11 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.138 0.494 . . . . 62.54 110.564 177.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.12 -46.18 85.33 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.059 -0.518 . . . . 64.13 111.779 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 68.1 mtm -60.24 -33.77 72.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 111.619 0.229 . . . . 72.34 111.619 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 16.0 t70 -66.29 -45.42 80.49 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.892 0.377 . . . . 72.13 110.344 174.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' B' ' 61' ' ' THR . 57.3 mtpt -55.33 -35.73 65.49 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.975 -0.557 . . . . 65.23 111.324 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 66.2 mt -76.05 -41.28 51.21 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.951 -0.568 . . . . 74.51 111.867 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -63.62 -8.09 9.03 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.386 0.513 . . . . 74.23 112.386 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' B' ' 68' ' ' LYS . 0.0 OUTLIER -73.02 -13.5 61.23 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 112.164 0.431 . . . . 61.23 112.164 176.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.512 HG11 ' SD ' ' B' ' 18' ' ' MET . 62.5 t -89.89 121.78 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 O-C-N 122.086 -0.384 . . . . 70.32 111.695 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -57.66 -34.76 69.71 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.136 -0.484 . . . . 74.23 112.278 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.425 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -64.19 -25.81 69.97 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 114.085 0.394 . . . . 35.23 114.085 -177.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.84 141.17 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 117.009 0.405 . . . . 71.14 111.49 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.9 -22.05 7.49 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.288 0.477 . . . . 75.05 112.288 175.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.648 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.8 p -123.08 118.43 27.7 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.245 0.545 . . . . 72.11 111.782 176.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.8 t -133.35 104.35 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.149 -0.686 . . . . 54.11 109.149 169.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -137.45 162.52 33.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.238 0.542 . . . . 74.24 112.053 -173.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.501 ' HG3' HD21 ' B' ' 59' ' ' LEU . 14.1 ttp180 -86.07 133.03 33.92 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.83 -0.623 . . . . 74.55 112.147 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' B' ' 9' ' ' ARG . 98.1 mt -85.27 111.38 19.81 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.127 0.489 . . . . 72.13 111.033 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 77.8 p -80.34 -66.61 0.86 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.118 0.485 . . . . 60.5 111.096 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -73.32 103.65 4.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.101 -0.5 . . . . 71.15 111.311 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 48.1 mt . . . . . 0 CA--C 1.535 0.394 0 CA-C-O 121.196 0.522 . . . . 62.23 112.233 -177.541 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 121.22 0.533 . . . . 62.23 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.8 tp -75.36 103.61 5.58 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.197 0.523 . . . . 72.23 111.424 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.58 158.61 15.8 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.828 -0.624 . . . . 61.22 111.631 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.2 144.03 15.06 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 121.3 -0.476 . . . . 64.44 112.661 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.3 mt -133.19 140.14 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 122.601 -0.352 . . . . 63.32 110.763 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HB2' HD21 ' A' ' 78' ' ' LEU . 47.2 ttp180 -118.04 126.45 52.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.9 0.381 . . . . 73.15 110.841 175.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.585 HD11 HD13 ' A' ' 66' ' ' LEU . 24.7 mt -113.31 116.0 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 116.077 -0.51 . . . . 74.53 110.632 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.605 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 71.5 t -115.99 113.54 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.6 0.714 . . . . 72.13 111.705 178.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.08 171.88 22.9 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.331 -0.85 . . . . 11.34 112.388 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -67.45 124.71 23.94 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.238 0.542 . . . . 71.32 112.169 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -64.54 104.74 0.84 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.996 -0.547 . . . . 73.12 111.52 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -130.51 175.85 8.64 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.636 0.731 . . . . 60.21 112.808 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -77.4 48.5 0.65 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.669 -1.151 . . . . 72.02 112.629 -174.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.33 -28.84 0.24 Allowed Glycine 0 CA--C 1.526 0.736 0 C-N-CA 121.101 -0.571 . . . . 72.52 113.296 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.463 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 70.1 mmm -53.09 -50.46 64.34 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.667 0.617 . . . . 74.43 112.667 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -60.02 -29.74 68.7 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.055 0.455 . . . . 53.0 111.614 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' B' ' 27' ' ' SER . 13.3 m120 -76.32 -48.68 19.18 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.147 0.498 . . . . 73.51 110.985 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.7 pt20 -66.19 -37.62 86.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.241 -0.436 . . . . 74.35 111.629 -176.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.1 mm -61.06 -54.3 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 112.598 0.592 . . . . 74.34 112.598 -176.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 m -73.36 -26.91 61.21 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.436 0.636 . . . . 63.23 110.078 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -57.18 -41.24 92.66 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 115.669 -0.696 . . . . 74.35 112.38 171.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 21' ' ' GLN . 69.8 t -67.23 -39.99 84.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.045 0.45 . . . . 75.23 110.853 174.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.471 HG21 HD13 ' A' ' 49' ' ' LEU . 68.2 mt -57.08 -42.04 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 116.146 -0.479 . . . . 75.32 112.096 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 63.3 p -62.23 -21.97 65.58 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.775 0.321 . . . . 73.22 111.742 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 25.0 mtpp -79.71 -0.5 34.37 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 111.936 0.347 . . . . 73.04 111.936 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -75.71 165.66 24.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.788 0.804 . . . . 61.23 112.977 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.32 -28.94 38.09 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.718 -1.128 . . . . 75.12 111.203 -177.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 t -86.24 170.09 12.43 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.786 -0.643 . . . . 74.41 112.463 -174.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.414 ' O ' HG22 ' A' ' 51' ' ' ILE . 26.5 t-20 -99.9 136.83 39.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.059 0.457 . . . . 70.44 111.267 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.544 HG13 ' ND2' ' B' ' 20' ' ' ASN . 62.4 mt -79.1 103.19 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 121.058 0.456 . . . . 72.54 111.662 -177.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -75.5 -35.54 60.76 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.072 0.463 . . . . 64.42 110.447 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.628 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 56.1 m -156.92 132.7 9.47 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.065 -0.516 . . . . 54.54 111.739 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.762 HD11 ' SG ' ' A' ' 47' ' ' CYS . 9.1 tp -135.66 126.18 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 120.623 0.249 . . . . 74.12 110.333 172.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.422 HG22 HG13 ' B' ' 37' ' ' VAL . 58.6 t -135.1 104.24 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.83 0.348 . . . . 74.14 111.758 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.628 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.8 tt -107.49 124.25 49.61 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 110.067 -0.346 . . . . 74.43 110.067 177.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -131.14 124.98 31.87 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.134 0.492 . . . . 70.35 111.436 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -98.4 116.39 30.53 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.056 -0.52 . . . . 53.21 110.729 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.459 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -142.58 146.79 34.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.957 -0.565 . . . . 73.13 110.7 -177.203 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.0 t70 66.09 6.38 4.1 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.157 0.428 . . . . 74.45 112.157 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.06 -1.4 47.62 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.132 -0.556 . . . . 74.33 113.233 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mt -123.4 164.39 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.61 -0.515 . . . . 71.02 109.61 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.511 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 30.5 p90 -131.52 143.12 50.15 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.98 -0.45 . . . . 74.13 111.375 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.532 ' HB ' HG22 ' A' ' 11' ' ' VAL . 2.1 t -120.72 114.08 21.15 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.043 0.449 . . . . 73.01 111.355 173.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.762 ' SG ' HD11 ' A' ' 36' ' ' ILE . 42.8 t -93.62 116.86 29.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.112 -0.495 . . . . 75.31 110.94 175.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.419 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.3 m-20 -100.88 106.24 17.58 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.775 0.321 . . . . 70.24 111.246 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.471 HD13 HG21 ' A' ' 26' ' ' ILE . 62.0 tp -98.68 128.41 44.94 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.048 0.451 . . . . 64.33 111.874 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.564 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 75.8 mmm -121.59 106.82 11.72 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.167 -0.47 . . . . 53.04 110.716 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -142.12 166.0 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 116.113 -0.494 . . . . 65.45 111.922 -175.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -92.47 135.38 34.1 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.028 0.442 . . . . 75.45 111.666 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.2 m -125.46 142.05 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 120.993 0.425 . . . . 55.24 111.182 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -63.8 -29.09 70.33 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.36 0.504 . . . . 71.32 112.36 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -166.37 175.94 7.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.995 0.426 . . . . 73.33 111.464 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.7 p -64.26 -35.12 79.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.291 -0.413 . . . . 61.01 111.954 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -60.77 -41.94 96.51 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.856 0.836 . . . . 71.52 110.593 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -60.95 -43.08 99.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.782 -1.099 . . . . 73.53 111.093 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.0 -47.44 83.09 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.035 -0.53 . . . . 73.03 111.559 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.8 p -62.77 -29.62 70.84 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.862 0.363 . . . . 73.23 111.264 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.4 m -67.55 -41.76 83.73 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.863 0.363 . . . . 61.22 111.383 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.87 -37.35 84.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.829 0.347 . . . . 74.41 110.973 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.5 mtt -58.37 -44.2 88.77 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.052 0.453 . . . . 74.34 111.06 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 25.8 t70 -62.72 -43.83 97.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.753 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -56.09 -48.32 76.35 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.248 0.547 . . . . 73.52 111.617 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 10' ' ' ILE . 52.5 mt -71.26 -26.36 62.86 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.988 -0.551 . . . . 70.52 111.643 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -79.8 -6.69 57.82 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 120.951 0.405 . . . . 74.34 111.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 75.5 mmtt -70.66 -7.22 42.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 122.17 -0.331 . . . . 53.12 111.614 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.1 t -93.36 115.63 32.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.901 0.381 . . . . 74.04 111.405 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -57.35 -29.77 64.28 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.631 0.604 . . . . 63.12 112.631 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.72 -9.83 84.89 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.957 -0.64 . . . . 63.41 113.949 -178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.6 t -100.93 128.41 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 117.325 0.563 . . . . 63.22 111.679 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.09 -20.74 13.32 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.42 0.526 . . . . 74.21 112.42 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.605 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.2 p -126.01 124.91 41.74 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.346 0.593 . . . . 62.15 111.91 177.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.21 104.88 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 109.207 -0.664 . . . . 71.53 109.207 172.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -137.01 161.24 36.6 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.276 0.473 . . . . 72.22 112.276 -168.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -84.22 136.02 34.12 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.045 0.45 . . . . 75.22 111.496 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 9' ' ' ARG . 97.9 mt -82.18 97.76 8.38 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.16 169.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.8 p -75.37 -60.78 2.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.089 0.471 . . . . 63.1 110.938 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -68.31 105.08 2.03 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.126 -0.488 . . . . 72.0 111.283 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 N--CA 1.467 0.406 0 CA-C-N 116.121 -0.49 . . . . 74.44 111.778 -178.597 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 CA--C 1.538 0.504 0 CA-C-O 120.612 0.244 . . . . 62.41 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -129.12 158.77 38.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.217 0.532 . . . . 75.53 111.173 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 47.1 tp -77.03 107.04 9.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.834 -0.621 . . . . 74.33 110.797 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.441 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -101.18 154.38 18.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.117 -0.492 . . . . 54.34 112.101 -177.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' B' ' 49' ' ' LEU . . . -131.26 142.65 14.04 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.203 -0.453 . . . . 70.34 113.081 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.74 HD12 HD23 ' B' ' 49' ' ' LEU . 46.4 mt -127.44 145.45 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 122.476 -0.426 . . . . 65.42 111.53 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.678 HH21 ' ND2' ' B' ' 48' ' ' ASN . 17.6 tpp85 -119.79 121.53 39.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.741 0.416 . . . . 73.4 111.255 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.794 HD11 HD13 ' B' ' 66' ' ' LEU . 42.5 mt -119.44 118.1 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.406 -0.361 . . . . 75.53 111.163 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.577 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 74.6 t -120.31 116.94 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.385 0.612 . . . . 74.24 111.028 174.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.43 171.08 26.6 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.694 -0.685 . . . . 54.51 112.899 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.74 138.57 48.58 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.459 0.647 . . . . 72.32 112.365 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -78.41 85.02 4.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.816 -0.629 . . . . 73.53 111.898 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -96.03 161.16 14.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.536 0.684 . . . . 73.45 112.441 170.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -47.58 -37.03 11.56 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.605 -1.179 . . . . 72.24 112.9 -175.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.11 -0.68 20.86 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.944 -0.646 . . . . 22.55 114.151 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.469 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 34.7 mmm -69.32 -52.0 31.57 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 117.808 0.804 . . . . 65.42 112.9 -176.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 67.7 p -63.09 -28.99 70.46 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.3 0.571 . . . . 72.41 111.051 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.544 ' ND2' HG13 ' A' ' 33' ' ' ILE . 11.6 m120 -76.1 -48.33 21.12 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.902 -0.59 . . . . 73.41 111.089 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.535 ' O ' HG23 ' B' ' 25' ' ' VAL . 10.1 pt20 -66.78 -38.49 86.65 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.063 -0.517 . . . . 61.12 111.336 -177.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.542 ' O ' HG12 ' B' ' 26' ' ' ILE . 11.9 mm -60.81 -54.17 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 112.006 0.373 . . . . 54.34 112.006 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.1 m -70.52 -26.94 63.81 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.466 0.65 . . . . 75.43 110.449 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.61 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -60.18 -52.28 53.73 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 120.979 -0.629 . . . . 64.33 112.277 172.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 21' ' ' GLN . 88.2 t -57.09 -38.08 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 120.696 0.284 . . . . 64.31 111.161 177.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.702 HD12 HD22 ' B' ' 49' ' ' LEU . 51.2 mm -52.76 -47.85 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 121.403 0.62 . . . . 45.02 110.921 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' ASN . 5.6 m -61.12 -30.59 70.46 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.656 -0.702 . . . . 75.41 111.391 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 44.7 mtpt -81.49 -0.29 41.17 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.999 -0.546 . . . . 62.1 112.334 -173.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -72.54 169.49 16.37 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.565 0.698 . . . . 73.01 112.537 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -27.53 57.72 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.364 -0.835 . . . . 61.53 111.526 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 9.9 t -86.43 168.82 13.43 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.766 -0.652 . . . . 63.11 112.607 -172.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -99.45 128.43 45.56 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.964 -0.562 . . . . 63.35 110.837 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.51 ' HA ' HG22 ' B' ' 51' ' ' ILE . 64.7 mt -76.51 112.38 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 112.52 0.563 . . . . 54.1 112.52 -175.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -84.63 -40.63 17.22 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.017 0.437 . . . . 61.02 110.85 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.511 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 31.2 m -152.11 133.33 14.4 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.921 0.391 . . . . 63.12 111.517 178.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.628 HG22 ' HB3' ' A' ' 38' ' ' LEU . 9.3 tp -138.24 131.5 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 120.921 0.391 . . . . 73.33 110.426 174.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.52 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 85.1 t -126.29 141.88 44.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.477 -0.329 . . . . 64.33 110.841 178.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.628 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.0 tt -144.65 112.67 6.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.392 -0.596 . . . . 65.44 109.392 169.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.421 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 3.0 p-10 -125.67 115.98 20.96 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.218 0.533 . . . . 71.23 111.047 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -103.35 129.81 50.49 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.737 0.643 . . . . 51.51 112.737 -175.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.493 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 0.1 OUTLIER -144.45 151.85 39.79 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.688 -0.687 . . . . 70.44 110.605 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 67.01 9.46 6.92 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 112.356 0.502 . . . . 70.2 112.356 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.87 15.73 59.08 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 120.915 -0.659 . . . . 14.1 112.637 -173.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.5 mt -131.35 159.94 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 122.898 0.479 . . . . 74.03 109.779 175.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.562 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 42.7 p90 -129.37 148.98 51.34 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.942 -0.474 . . . . 75.43 111.449 177.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -122.81 101.05 7.22 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.274 0.559 . . . . 63.33 111.446 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.607 ' HB3' ' HB ' ' B' ' 10' ' ' ILE . 45.8 t -88.02 131.52 34.61 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.104 -0.498 . . . . 72.0 111.998 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.678 ' ND2' HH21 ' B' ' 9' ' ' ARG . 3.3 m-20 -113.25 108.19 16.92 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.304 -0.407 . . . . 72.4 110.455 177.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.74 HD23 HD12 ' B' ' 8' ' ' ILE . 39.2 tp -98.43 128.45 44.81 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.695 0.283 . . . . 70.32 111.692 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.511 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 63.2 mmm -125.17 106.29 9.79 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.921 0.391 . . . . 51.12 111.303 177.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.51 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -145.86 159.86 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.095 0.474 . . . . 55.11 111.931 -176.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -87.49 131.03 34.49 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.085 0.469 . . . . 75.34 111.823 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 20.1 m -122.23 141.83 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 121.049 0.452 . . . . 74.53 111.534 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.581 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 18.3 ptpt -69.36 -25.9 64.4 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.135 -0.484 . . . . 71.34 112.274 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.581 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 8.9 p30 -158.39 169.76 23.75 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.892 0.377 . . . . 63.23 111.57 177.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.0 p -68.81 -36.98 78.92 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.222 0.452 . . . . 64.24 112.222 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.33 -34.58 78.67 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.36 0.6 . . . . 73.41 110.374 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -58.07 -44.13 87.34 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.719 -0.673 . . . . 72.2 110.515 172.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.442 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 61.4 tp -63.77 -47.51 80.67 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.955 -0.566 . . . . 61.42 111.351 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' THR . . . . . 0.499 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 71.7 p -66.11 -29.84 70.23 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.56 -0.291 . . . . 63.22 111.253 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 45.3 m -61.74 -42.75 99.38 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.793 0.33 . . . . 60.03 111.019 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 64.2 mt -59.18 -40.86 86.99 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.713 0.292 . . . . 74.52 110.79 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.499 ' SD ' ' HA ' ' B' ' 60' ' ' THR . 55.3 mtt -54.04 -51.65 63.34 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.091 0.472 . . . . 73.42 110.848 174.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.422 ' O ' ' HE2' ' B' ' 68' ' ' LYS . 20.6 t70 -58.12 -44.6 87.82 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.688 -0.687 . . . . 62.13 110.869 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -57.52 -45.4 85.04 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.079 0.466 . . . . 74.42 111.68 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.794 HD13 HD11 ' B' ' 10' ' ' ILE . 41.2 mt -75.71 -26.39 57.48 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.989 -0.55 . . . . 74.31 111.631 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -74.93 -8.7 57.24 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.319 -0.4 . . . . 75.34 112.0 -177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' B' ' 64' ' ' ASP . 72.5 mmtt -72.75 -18.64 61.49 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.698 0.285 . . . . 61.32 111.668 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 45.0 t -75.98 120.34 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.04 0.448 . . . . 61.11 111.812 -175.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -53.41 -32.24 48.71 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.035 0.754 . . . . 61.23 113.035 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.26 -24.98 72.0 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 121.15 -0.548 . . . . 71.24 113.658 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 52.7 t -86.69 136.74 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 122.266 -0.549 . . . . 73.24 111.437 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -122.02 -7.01 8.93 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.08 0.4 . . . . 73.34 112.08 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.577 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.2 p -137.93 121.94 17.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.978 0.418 . . . . 74.44 111.319 174.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 34.4 t -132.15 104.84 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 N-CA-C 109.855 -0.424 . . . . 72.02 109.855 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -128.13 175.26 8.56 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.241 0.543 . . . . 54.23 112.43 -172.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.441 ' HB2' ' HE2' ' B' ' 63' ' ' MET . 31.2 ttp180 -98.18 142.07 30.32 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.858 -0.61 . . . . 73.13 111.374 175.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' B' ' 9' ' ' ARG . 93.4 mt -95.61 121.73 37.61 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.543 -0.299 . . . . 52.44 110.545 174.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 33.1 t -99.83 -40.83 7.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.871 0.367 . . . . 73.21 111.306 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -83.53 82.68 8.19 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.622 0.725 . . . . 73.13 111.229 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.4 mt . . . . . 0 N--CA 1.468 0.436 0 CA-C-N 115.745 -0.662 . . . . 72.04 112.596 -176.341 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 120.976 0.417 . . . . 73.45 111.288 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.7 tp -84.33 105.54 15.25 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.17 0.509 . . . . 62.45 111.073 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.74 161.01 14.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 74.33 111.617 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -139.26 146.32 17.89 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 120.987 -0.625 . . . . 54.43 113.438 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.0 mt -135.18 127.72 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.596 0.359 . . . . 64.32 110.592 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HB2' HD21 ' A' ' 78' ' ' LEU . 16.3 ttt180 -102.47 127.06 49.68 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.158 0.504 . . . . 73.14 111.491 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.429 HD11 HD13 ' A' ' 66' ' ' LEU . 36.0 mt -116.01 117.73 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 115.718 -0.674 . . . . 71.31 111.211 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.611 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 68.8 t -119.58 115.48 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 121.535 0.683 . . . . 61.1 110.802 173.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.04 169.36 24.99 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.449 -0.796 . . . . 54.3 112.443 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -75.98 129.67 37.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.228 0.537 . . . . 64.42 111.825 -176.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -72.37 117.0 13.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.103 -0.499 . . . . 62.51 110.761 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -163.93 135.55 4.73 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.314 0.487 . . . . 64.33 112.314 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 41.84 22.08 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.136 1.532 . . . . 73.33 115.136 173.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.79 22.71 7.87 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 121.072 -0.585 . . . . 61.22 114.342 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.481 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 24.4 mmm -53.8 -44.18 69.95 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.118 0.485 . . . . 74.32 111.613 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 64.1 p -59.56 -30.17 68.45 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.262 -0.426 . . . . 74.25 111.726 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.421 ' OD1' ' HA ' ' B' ' 32' ' ' ASN . 14.0 m120 -76.72 -49.32 16.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.96 0.41 . . . . 74.04 110.814 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.481 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.0 pt20 -64.33 -40.93 96.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.224 -0.443 . . . . 74.11 111.521 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 22' ' ' ILE . 11.2 mm -56.86 -53.61 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.494 0.553 . . . . 62.44 112.494 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.497 HG21 HG21 ' B' ' 23' ' ' THR . 17.4 m -73.77 -27.44 61.16 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.074 0.464 . . . . 74.32 110.618 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.23 98.32 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.03 -0.605 . . . . 72.01 112.33 173.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 21' ' ' GLN . 87.2 t -67.24 -38.94 81.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.916 0.388 . . . . 54.32 111.105 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG21 HD13 ' A' ' 49' ' ' LEU . 61.9 mt -53.89 -44.31 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 N-CA-C 112.318 0.488 . . . . 73.33 112.318 178.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.8 p -60.24 -22.33 62.9 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.236 0.458 . . . . 71.14 112.236 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -80.63 -5.26 56.65 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 112.517 0.562 . . . . 72.33 112.517 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -67.53 173.42 4.15 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.942 0.719 . . . . 72.25 112.942 -176.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.44 7.88 10.76 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.697 -0.683 . . . . 73.45 111.813 -178.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -134.43 168.81 18.26 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.437 0.532 . . . . 52.33 112.437 -172.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.643 ' HA ' HD21 ' B' ' 20' ' ' ASN . 22.2 m120 -105.82 127.94 53.42 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.207 0.527 . . . . 73.23 111.721 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.489 ' HA ' HG22 ' A' ' 51' ' ' ILE . 3.1 mp -70.79 121.59 20.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.891 -0.595 . . . . 63.25 111.2 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.22 -23.45 16.17 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.073 0.463 . . . . 72.53 111.12 176.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 70.5 m -155.59 132.69 10.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.157 -0.474 . . . . 71.12 110.927 177.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.695 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.7 tp -137.98 126.43 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 120.919 0.39 . . . . 72.12 110.389 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.5 t -126.63 104.32 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 120.707 0.289 . . . . 70.33 110.921 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.532 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.5 tt -115.43 114.89 25.67 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.918 -0.401 . . . . 71.31 109.918 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.485 ' HB3' HG23 ' B' ' 35' ' ' THR . 4.2 p-10 -130.82 119.85 22.85 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.398 0.618 . . . . 72.43 111.545 178.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -99.63 123.27 43.74 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.818 -0.628 . . . . 61.22 111.582 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.517 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -137.54 145.33 42.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.098 -0.501 . . . . 64.13 110.796 178.28 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 57.61 19.79 5.71 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.89 0.7 . . . . 75.13 112.89 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.41 0.8 59.39 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.206 -0.521 . . . . 71.45 113.968 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.95 159.71 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 117.057 0.429 . . . . 74.21 110.057 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.534 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 42.7 p90 -127.67 146.17 50.65 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 122.212 -0.305 . . . . 71.54 111.303 177.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.414 HG23 ' OD1' ' A' ' 39' ' ' ASN . 2.0 t -122.06 99.85 6.66 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.101 0.477 . . . . 74.21 110.865 174.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.695 ' SG ' HD11 ' A' ' 36' ' ' ILE . 52.9 t -96.93 118.46 33.4 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.449 -0.341 . . . . 64.03 111.641 -178.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.456 ' O ' HD12 ' A' ' 36' ' ' ILE . 70.1 m-20 -99.11 112.34 24.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.815 0.34 . . . . 74.31 110.757 178.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.473 HD13 HG21 ' A' ' 26' ' ' ILE . 33.6 tp -97.34 123.87 41.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.15 -0.477 . . . . 71.03 111.413 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.429 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 63.5 mmm -118.97 111.72 18.69 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.028 0.442 . . . . 75.24 111.23 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.489 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -140.53 158.43 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.011 -0.54 . . . . 63.22 111.836 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -92.0 133.7 35.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.91 0.386 . . . . 74.42 111.948 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.05 153.0 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 116.246 -0.434 . . . . 70.32 111.217 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . 41.5 mtmt -85.74 -31.8 22.22 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.239 0.542 . . . . 75.55 110.566 173.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -137.12 148.6 46.78 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.853 -0.612 . . . . 54.21 111.757 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.4 p -64.77 -20.47 66.38 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.304 -0.407 . . . . 74.32 111.4 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.4 -49.99 75.37 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.249 -0.432 . . . . 73.43 111.351 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.88 -32.81 73.2 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.951 0.405 . . . . 64.24 109.941 177.573 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.7 tp -65.48 -47.55 75.65 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.948 -0.569 . . . . 65.31 111.456 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.7 p -68.74 -30.34 68.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.104 0.478 . . . . 62.44 111.143 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 95.3 m -61.4 -43.41 98.91 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.286 -0.416 . . . . 63.54 111.115 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 58' ' ' LYS . 63.7 mt -59.33 -38.33 80.05 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.501 -0.318 . . . . 72.42 111.217 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.8 mtt -54.55 -50.56 67.62 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.279 -0.418 . . . . 62.14 111.092 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 18.8 t70 -57.09 -43.5 82.25 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.231 -0.441 . . . . 73.45 110.95 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -58.23 -45.01 88.51 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.264 0.554 . . . . 75.21 111.245 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.429 HD13 HD11 ' A' ' 10' ' ' ILE . 64.7 mt -68.53 -32.14 71.88 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.056 -0.52 . . . . 73.45 111.429 178.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -75.01 -8.76 57.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.283 -0.417 . . . . 62.34 111.816 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.576 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -72.4 -12.82 61.27 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.631 0.253 . . . . 73.54 111.235 175.89 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 68.8 t -86.52 123.96 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.214 0.531 . . . . 71.03 111.375 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -59.58 -34.44 72.72 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.399 0.518 . . . . 74.45 112.399 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.22 -20.32 74.91 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 121.032 -0.604 . . . . 62.31 114.325 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.3 t -93.17 145.97 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 117.839 0.819 . . . . 71.35 111.831 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -127.68 -11.23 5.55 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.752 0.649 . . . . 72.31 112.752 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.611 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.4 p -134.55 124.28 25.22 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.877 -0.515 . . . . 74.42 111.816 175.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.6 t -135.99 106.4 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.703 -0.48 . . . . 74.2 109.703 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -128.47 163.38 25.04 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.405 0.52 . . . . 55.11 112.405 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -85.04 142.93 29.22 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.051 0.453 . . . . 75.15 111.418 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 9' ' ' ARG . 96.7 mt -105.05 100.81 10.4 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.839 0.352 . . . . 74.41 110.824 175.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 p -79.99 -60.82 2.19 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.124 0.488 . . . . 74.14 111.206 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -72.92 119.36 17.06 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.046 -0.524 . . . . 74.33 110.4 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 CA--C 1.537 0.453 0 CA-C-O 121.293 0.568 . . . . 71.35 112.306 -175.182 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 121.289 0.566 . . . . 74.15 112.421 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -151.85 158.47 43.29 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.912 -0.585 . . . . 74.23 111.102 177.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.8 tp -77.56 109.02 11.15 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.018 -0.537 . . . . 75.22 111.083 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.449 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -102.61 158.94 15.88 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.968 -0.56 . . . . 75.34 111.849 -178.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.07 137.74 9.47 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.221 -0.514 . . . . 23.53 113.342 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 mt -121.93 147.18 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 122.74 0.416 . . . . 32.11 110.754 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.589 ' NE ' HG23 ' B' ' 11' ' ' VAL . 0.5 OUTLIER -122.25 118.46 28.6 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.543 -0.298 . . . . 55.13 110.199 -179.114 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.606 HD11 HD13 ' B' ' 66' ' ' LEU . 34.3 mt -115.04 118.62 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 122.389 0.276 . . . . 64.44 111.448 -176.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.589 HG23 ' NE ' ' B' ' 9' ' ' ARG . 55.4 t -119.72 120.26 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.247 0.546 . . . . 43.5 111.781 175.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.23 169.24 28.92 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.731 -0.668 . . . . 75.33 112.851 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.65 137.44 58.1 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 122.446 -0.444 . . . . 71.52 111.973 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -79.43 46.32 0.73 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.764 0.653 . . . . 75.31 112.764 -170.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -61.94 158.24 16.69 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 114.797 1.406 . . . . 73.2 114.797 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.08 64.88 0.06 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 113.48 -1.691 . . . . 53.41 111.472 171.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.31 -38.35 0.59 Allowed Glycine 0 CA--C 1.528 0.873 0 CA-C-N 116.056 -0.52 . . . . 54.2 113.179 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.575 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 35.0 mmm -52.68 -50.61 62.94 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.697 0.629 . . . . 71.21 112.697 -178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -56.73 -31.74 64.83 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.023 0.379 . . . . 65.15 112.023 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.643 HD21 ' HA ' ' A' ' 32' ' ' ASN . 1.8 m-20 -76.82 -48.3 18.89 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.108 0.48 . . . . 63.35 110.877 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.511 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 8.5 pt20 -65.55 -34.55 78.52 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.033 -0.53 . . . . 74.54 111.531 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.433 ' O ' HG13 ' B' ' 26' ' ' ILE . 10.0 mm -62.22 -53.78 43.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 111.923 0.342 . . . . 71.02 111.923 -178.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.497 HG21 HG21 ' A' ' 23' ' ' THR . 4.7 m -73.49 -27.13 61.22 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.034 0.445 . . . . 71.42 110.463 177.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.433 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -58.94 -48.39 85.95 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.277 -0.487 . . . . 64.34 112.475 173.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.18 -36.1 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 O-C-N 122.328 -0.513 . . . . 74.44 110.946 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' B' ' 29' ' ' PHE . 77.7 mt -62.74 -36.81 77.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 111.906 0.336 . . . . 63.21 111.906 176.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 82.7 p -70.56 -22.81 62.55 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.887 -0.508 . . . . 73.23 110.786 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 50.1 mtpt -82.11 -5.54 58.5 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.259 -0.428 . . . . 72.02 111.551 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' PHE . . . . . 0.451 ' CE1' ' HD3' ' B' ' 65' ' ' LYS . 2.3 m-30 -64.66 160.57 19.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.548 1.166 . . . . 72.43 113.85 -173.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.71 -27.87 68.65 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.5 -1.682 . . . . 72.13 112.329 177.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.4 t -105.19 169.22 8.57 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.351 0.5 . . . . 72.5 112.351 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASN . . . . . 0.51 ' O ' HG22 ' B' ' 51' ' ' ILE . 91.3 m-20 -97.99 128.92 44.85 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.991 0.424 . . . . 72.22 111.755 -176.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.5 103.47 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 116.205 -0.452 . . . . 71.31 111.395 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -82.13 -38.39 24.84 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.378 0.608 . . . . 75.13 110.302 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.595 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 27.3 m -155.7 152.42 28.57 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.619 -0.719 . . . . 73.13 109.956 175.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.532 HG22 ' HB3' ' A' ' 38' ' ' LEU . 20.1 tt -162.35 135.8 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 121.051 0.453 . . . . 70.22 111.893 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 62.5 t -130.73 109.92 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.049 -0.523 . . . . 75.53 111.083 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.603 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.1 tt -110.02 112.21 24.07 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.975 -0.38 . . . . 62.13 109.975 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -131.66 135.24 46.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 120.989 0.423 . . . . 72.02 111.547 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -108.6 129.14 55.32 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.174 0.511 . . . . 73.1 112.08 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.71 151.39 37.93 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.878 -0.601 . . . . 71.42 110.43 175.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 61.4 13.35 4.95 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.079 0.466 . . . . 72.54 111.767 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.19 19.12 61.38 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-N 116.377 -0.374 . . . . 75.41 113.063 -176.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mt -135.03 145.94 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 122.461 -0.435 . . . . 71.34 110.216 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.508 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 36.1 p90 -115.45 144.37 43.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.011 0.434 . . . . 64.11 111.251 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.58 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 2.5 t -118.14 107.27 13.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 72.52 111.112 175.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.477 ' SG ' HD11 ' B' ' 36' ' ' ILE . 47.8 t -94.26 97.43 10.24 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.19 -0.459 . . . . 71.31 111.172 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 3.1 m-20 -83.56 111.76 19.39 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.4 -0.364 . . . . 75.1 111.314 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.404 HD13 HD12 ' B' ' 36' ' ' ILE . 54.4 tp -99.99 130.7 46.18 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.954 0.407 . . . . 73.42 111.807 -178.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.595 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.0 mmm -120.95 113.62 20.36 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.936 0.398 . . . . 64.24 110.774 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.51 HG22 ' O ' ' B' ' 32' ' ' ASN . 2.3 pp -144.68 162.15 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 116.336 -0.393 . . . . 73.4 111.695 -176.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -90.35 135.48 33.65 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.102 0.477 . . . . 74.11 111.765 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 12.9 m -129.47 160.15 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.142 -0.481 . . . . 65.42 110.768 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -88.74 -11.6 44.6 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.762 0.315 . . . . 60.01 111.808 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 5.6 p30 -175.28 163.83 3.13 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.859 0.463 . . . . 75.41 110.584 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.7 p -64.45 -29.7 70.75 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.626 0.602 . . . . 73.34 112.626 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.32 -36.07 78.74 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.922 0.868 . . . . 53.21 110.125 177.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 22.7 tptp -62.35 -29.8 70.72 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.173 -0.921 . . . . 75.44 110.795 172.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.626 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 58.8 tp -77.13 -48.05 18.75 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.929 -0.578 . . . . 70.11 111.485 177.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 68.7 p -58.65 -37.61 76.34 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.032 0.444 . . . . 74.05 111.356 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 31.7 m -52.22 -40.24 61.33 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.04 -0.527 . . . . 63.51 112.007 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.24 -33.8 73.83 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.845 0.355 . . . . 74.2 110.97 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.626 ' HE3' ' HG ' ' B' ' 59' ' ' LEU . 51.1 mtt -61.72 -46.6 88.97 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.001 0.429 . . . . 64.33 110.62 176.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.442 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 34.8 t70 -57.83 -45.77 85.68 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.999 -0.546 . . . . 63.32 110.772 176.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.451 ' HD3' ' CE1' ' B' ' 29' ' ' PHE . 72.9 mttt -53.71 -49.59 67.74 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.215 0.531 . . . . 74.3 111.804 175.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.606 HD13 HD11 ' B' ' 10' ' ' ILE . 43.7 mt -70.71 -29.36 65.62 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.869 -0.605 . . . . 62.25 111.782 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -76.89 -8.22 56.95 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 120.704 0.288 . . . . 75.51 111.659 -177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 68.6 mmtt -74.07 -5.98 44.82 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.615 0.245 . . . . 65.21 111.56 176.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.434 HG12 ' H ' ' B' ' 71' ' ' GLY . 66.3 t -86.52 128.93 39.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 120.963 0.411 . . . . 71.42 111.601 -176.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -64.72 -30.09 71.09 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.759 0.651 . . . . 63.12 112.759 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.575 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -79.95 -17.74 74.07 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 120.834 -0.698 . . . . 71.03 114.106 -177.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.572 HG23 ' HE1' ' B' ' 18' ' ' MET . 58.9 t -95.81 141.28 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 117.372 0.586 . . . . 65.11 111.437 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.05 -20.06 9.49 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.233 0.457 . . . . 75.14 112.233 177.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.52 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.3 p -131.12 118.87 21.11 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.862 0.363 . . . . 63.31 111.847 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.485 HG11 ' HB2' ' B' ' 66' ' ' LEU . 21.8 t -130.74 103.25 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 109.733 -0.469 . . . . 64.41 109.733 171.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -129.9 177.92 6.91 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.092 0.472 . . . . 53.2 111.683 -173.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -92.23 145.48 24.46 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.212 0.53 . . . . 70.52 112.026 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -93.27 100.33 12.71 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.07 -0.514 . . . . 55.45 110.155 171.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 34.3 t -80.31 -21.25 42.75 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.208 -0.451 . . . . 71.03 112.05 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -112.68 108.72 17.87 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.721 0.296 . . . . 65.31 111.218 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 63.7 mt . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 121.036 0.446 . . . . 74.02 111.605 -179.64 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 p90 . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 120.972 0.415 . . . . 75.4 110.724 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.8 tp -79.75 107.08 12.25 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.093 0.473 . . . . 74.41 110.641 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.514 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -96.32 144.73 26.22 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.101 0.408 . . . . 64.23 112.101 -177.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.27 137.64 13.82 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 121.373 -0.442 . . . . 72.32 113.241 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.484 HD12 HD23 ' A' ' 49' ' ' LEU . 35.8 mt -126.71 148.82 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.01 0.524 . . . . 71.22 110.371 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' HD21 ' A' ' 78' ' ' LEU . 59.7 ttt180 -131.14 121.88 25.67 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.844 0.355 . . . . 72.32 111.01 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.778 HD11 HD13 ' A' ' 66' ' ' LEU . 28.7 mt -113.03 116.68 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 116.1 -0.5 . . . . 65.33 110.929 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.617 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.9 t -116.95 114.6 46.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.581 0.705 . . . . 63.34 111.555 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.21 172.55 26.78 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 115.46 -0.791 . . . . 54.41 112.631 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 71' ' ' GLY . 15.3 pt-20 -65.27 139.07 58.58 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.974 0.416 . . . . 72.12 111.56 -178.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -78.56 45.78 0.6 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 112.793 0.664 . . . . 73.42 112.793 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -63.35 161.0 14.83 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 114.212 1.19 . . . . 74.23 114.212 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -45.38 -33.83 2.74 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 113.426 -1.715 . . . . 73.14 114.282 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.25 -0.09 8.12 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 120.801 -0.714 . . . . 41.23 114.097 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.595 ' SD ' ' HA3' ' A' ' 71' ' ' GLY . 38.2 mmm -68.43 -52.03 37.26 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.062 0.764 . . . . 73.34 113.062 -175.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.7 p -60.51 -31.09 70.16 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.09 0.471 . . . . 74.33 111.459 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -75.79 -47.76 24.48 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.979 -0.555 . . . . 54.41 110.771 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.485 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.4 pt20 -67.16 -35.24 79.25 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.036 0.384 . . . . 74.13 112.036 -177.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.2 mm -60.57 -53.32 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.213 0.449 . . . . 72.12 112.213 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 m -71.03 -27.65 63.82 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.098 0.475 . . . . 74.31 110.54 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.09 -45.15 95.7 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 121.166 -0.54 . . . . 73.35 112.445 172.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 21' ' ' GLN . 96.4 t -64.74 -37.72 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 121.117 0.484 . . . . 65.03 111.009 175.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.448 HG21 HD13 ' A' ' 49' ' ' LEU . 69.0 mt -59.06 -39.31 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.095 0.474 . . . . 75.51 111.392 175.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 m -58.67 -22.3 56.57 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.241 0.543 . . . . 75.41 111.503 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -84.49 -1.68 56.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.196 -0.456 . . . . 72.35 112.109 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -74.59 161.37 29.78 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.343 0.592 . . . . 75.23 112.044 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -24.06 58.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.776 -0.647 . . . . 75.11 111.428 -178.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.483 HG21 HD13 ' A' ' 51' ' ' ILE . 4.2 t -91.19 165.41 13.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.147 0.795 . . . . 73.31 113.147 -170.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -88.89 126.3 35.32 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.681 -0.691 . . . . 62.1 111.311 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' B' ' 20' ' ' ASN . 66.9 mt -67.33 94.49 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.226 0.536 . . . . 75.35 110.635 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -73.25 -35.47 66.24 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.389 0.614 . . . . 54.22 110.53 -178.043 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.537 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 23.5 m -158.46 149.42 20.56 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.466 -0.788 . . . . 41.34 110.048 178.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.426 HD12 HD13 ' A' ' 49' ' ' LEU . 18.6 tt -158.15 135.83 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 120.966 0.412 . . . . 75.23 111.684 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.574 HG22 HG13 ' B' ' 37' ' ' VAL . 60.3 t -132.28 104.71 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 116.188 -0.46 . . . . 75.53 111.422 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.545 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.1 tt -107.28 125.11 50.74 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.532 -0.544 . . . . 73.23 109.532 174.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.424 ' O ' ' HA ' ' A' ' 45' ' ' PHE . 3.8 p-10 -139.47 127.81 22.74 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.763 0.316 . . . . 65.12 111.2 175.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -93.09 100.2 12.65 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.309 0.576 . . . . 60.23 111.186 176.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.648 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -112.6 139.06 48.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.951 -0.568 . . . . 73.2 110.301 179.078 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.6 t70 63.77 17.46 10.49 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.391 0.615 . . . . 65.43 111.484 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.72 5.52 71.36 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 116.208 -0.451 . . . . 60.51 113.354 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.422 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 8.9 mt -129.07 144.52 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 122.251 -0.558 . . . . 73.41 110.643 176.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.562 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 37.3 p90 -108.65 139.09 43.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.986 0.422 . . . . 63.3 111.704 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 t -115.35 100.54 8.19 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.098 0.475 . . . . 50.4 110.794 173.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.45 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 47.0 t -89.64 101.3 13.99 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.254 -0.43 . . . . 74.05 111.486 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -88.32 108.72 19.48 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.286 -0.416 . . . . 74.31 110.98 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.484 HD23 HD12 ' A' ' 8' ' ' ILE . 58.9 tp -98.21 135.2 40.2 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.67 0.388 . . . . 33.32 111.75 -178.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.537 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 64.7 mmm -125.95 110.35 13.5 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.962 0.41 . . . . 64.25 111.069 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.499 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -140.75 160.15 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 121.007 0.432 . . . . 74.34 111.978 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.409 ' HE2' ' HD2' ' A' ' 34' ' ' ARG . 19.2 m-85 -91.79 121.93 33.87 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.296 0.57 . . . . 70.31 112.048 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.9 m -111.58 145.49 17.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 115.844 -0.617 . . . . 71.24 111.402 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.477 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -75.29 -17.99 60.15 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.204 0.446 . . . . 72.0 112.204 176.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.477 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 11.3 p30 -169.59 179.34 3.82 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.87 0.366 . . . . 73.13 111.539 177.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.2 p -69.97 -35.82 74.75 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.286 0.476 . . . . 60.21 112.286 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.16 -36.85 85.39 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.521 0.677 . . . . 72.43 110.124 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -46.38 83.53 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.559 -0.746 . . . . 72.52 110.569 173.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.514 HD13 ' HB1' ' A' ' 6' ' ' ALA . 51.5 tp -65.89 -48.14 72.49 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 111.997 0.369 . . . . 63.45 111.997 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 79.9 p -64.6 -34.62 78.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.715 0.293 . . . . 61.54 111.267 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 74.6 m -61.64 -47.75 83.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.522 -0.308 . . . . 72.34 110.748 173.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.7 mt -56.39 -50.96 70.07 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.122 0.415 . . . . 73.3 112.122 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 61.9 mtm -61.87 -35.34 78.04 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.82 0.343 . . . . 74.12 111.184 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -65.65 -39.73 91.72 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.837 0.351 . . . . 75.4 110.335 175.415 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 61' ' ' THR . 56.8 mtpt -57.79 -51.23 70.45 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.235 0.541 . . . . 71.44 111.255 175.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.778 HD13 HD11 ' A' ' 10' ' ' ILE . 38.0 mt -66.72 -30.18 70.35 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.825 -0.625 . . . . 74.21 112.105 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.471 ' HA ' HG21 ' A' ' 75' ' ' VAL . 42.7 ttm180 -71.09 -8.41 53.24 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.096 0.406 . . . . 72.11 112.096 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 26.4 mmtp -88.89 9.47 24.73 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 122.02 -0.425 . . . . 73.44 112.032 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.66 112.28 26.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 121.164 0.507 . . . . 73.13 110.876 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.467 ' H ' ' CD ' ' A' ' 70' ' ' GLN . 2.5 pm0 -54.11 -22.74 11.8 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.689 0.996 . . . . 72.13 113.689 -178.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.595 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -77.28 -14.83 82.14 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.639 -0.791 . . . . 74.35 113.551 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.464 HG23 ' HE1' ' A' ' 18' ' ' MET . 51.9 t -103.39 143.63 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 122.437 -0.449 . . . . 63.45 111.364 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.75 -15.2 8.93 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.346 0.499 . . . . 75.3 112.346 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.617 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -133.0 123.92 26.76 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.07 0.462 . . . . 72.24 111.256 175.271 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.471 HG21 ' HA ' ' A' ' 67' ' ' ARG . 41.7 t -133.3 103.13 5.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 109.305 -0.628 . . . . 72.01 109.305 171.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -125.76 162.78 24.3 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.119 -0.492 . . . . 72.53 111.768 -169.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.409 HH11 ' CD2' ' A' ' 59' ' ' LEU . 23.8 ttt85 -87.19 139.74 30.26 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.212 0.529 . . . . 63.33 111.35 175.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 9' ' ' ARG . 95.8 mt -87.05 91.02 8.56 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.218 0.532 . . . . 50.41 110.171 174.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.9 m -63.32 -41.39 98.9 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.818 -0.628 . . . . 62.41 112.316 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -105.38 103.11 12.58 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.936 0.398 . . . . 52.21 110.999 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.2 mt . . . . . 0 CA--C 1.537 0.459 0 CA-C-O 121.388 0.613 . . . . 75.25 112.143 -177.263 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 120.602 0.239 . . . . 70.42 111.216 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -162.05 157.28 23.25 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.137 0.494 . . . . 72.33 111.358 170.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -81.08 104.12 11.35 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.995 -0.548 . . . . 72.3 110.522 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.596 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -95.48 130.24 42.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.101 -0.5 . . . . 64.45 112.054 -175.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.11 134.68 11.93 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-N 116.144 -0.48 . . . . 63.05 113.098 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.14 150.8 28.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 122.671 0.388 . . . . 72.5 110.664 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.487 ' HB2' HD21 ' B' ' 78' ' ' LEU . 74.6 ttt180 -123.9 127.12 47.53 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.941 -0.474 . . . . 53.33 111.065 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.438 HD12 HD11 ' B' ' 26' ' ' ILE . 34.5 mt -113.46 117.92 56.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.1 -0.5 . . . . 72.04 111.342 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.603 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 62.3 t -122.48 118.37 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.531 0.681 . . . . 64.24 110.916 174.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' B' ' 72' ' ' VAL . . . -142.86 166.83 26.49 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.52 -0.763 . . . . 62.14 112.25 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.93 122.81 18.2 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.411 0.624 . . . . 75.33 111.338 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -67.29 103.89 1.36 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.037 -0.529 . . . . 55.22 111.441 -177.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' B' ' 15' ' ' LYS . 7.9 mmpt? -103.42 -177.86 3.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.681 0.753 . . . . 75.12 112.145 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -43.49 -43.31 5.33 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.569 -1.196 . . . . 70.14 113.071 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.43 11.06 2.47 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.634 -0.793 . . . . 63.05 114.386 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.547 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 29.7 mmm -57.81 -49.65 75.93 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.584 0.587 . . . . 54.43 112.584 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.7 p -55.74 -36.44 67.27 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.91 0.386 . . . . 73.5 111.757 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.564 ' HA ' HD12 ' A' ' 33' ' ' ILE . 45.4 t-20 -76.43 -48.63 19.04 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.085 0.469 . . . . 75.54 110.873 -178.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.547 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -65.23 -35.91 82.51 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.311 -0.404 . . . . 73.42 111.492 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.493 HG13 ' CZ ' ' B' ' 45' ' ' PHE . 10.5 mm -64.01 -53.16 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.054 0.39 . . . . 61.11 112.054 -178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.407 ' HA ' HD12 ' B' ' 26' ' ' ILE . 14.1 m -67.37 -27.14 66.86 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.255 0.55 . . . . 73.33 109.988 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.76 -51.72 57.31 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 115.877 -0.601 . . . . 41.41 112.049 169.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 21' ' ' GLN . 90.1 t -56.31 -37.43 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.242 0.544 . . . . 72.52 110.952 175.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.438 HD11 HD12 ' B' ' 10' ' ' ILE . 72.8 mt -61.0 -43.3 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 116.004 -0.544 . . . . 73.25 111.474 175.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.8 p -69.83 -26.36 64.2 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.012 0.434 . . . . 42.23 110.647 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.473 ' HD3' ' HA ' ' B' ' 25' ' ' VAL . 56.1 mtpt -69.7 -6.92 34.93 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.26 -0.427 . . . . 72.21 111.834 176.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -66.94 174.35 3.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.792 0.806 . . . . 72.4 112.278 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.73 15.42 29.38 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.307 -0.86 . . . . 54.13 111.462 -176.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 t -128.86 165.81 20.3 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 120.992 0.425 . . . . 64.21 111.98 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASN . . . . . 0.43 ' O ' HG22 ' B' ' 51' ' ' ILE . 27.3 t-20 -91.29 129.29 37.3 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.151 0.5 . . . . 53.2 112.047 -177.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.464 ' HA ' HG22 ' B' ' 51' ' ' ILE . 61.5 mt -76.26 101.07 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.145 -0.48 . . . . 53.14 111.328 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -74.22 -33.65 63.44 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.225 0.536 . . . . 74.34 110.55 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 18.6 m -157.47 149.85 22.77 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.7 -0.682 . . . . 65.1 110.606 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.545 HG22 ' HB3' ' A' ' 38' ' ' LEU . 18.0 tt -159.81 135.02 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 120.968 0.413 . . . . 70.04 111.405 173.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.574 HG13 HG22 ' A' ' 37' ' ' VAL . 59.3 t -134.91 105.19 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-O 120.767 0.317 . . . . 44.02 111.555 -178.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 35' ' ' THR . 9.2 tt -108.86 128.5 54.96 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.396 -0.19 . . . . 73.41 110.734 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -135.87 123.86 22.82 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.082 0.467 . . . . 73.3 111.062 170.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -96.24 119.27 34.43 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.07 0.462 . . . . 74.14 110.737 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.79 145.23 29.85 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.097 -0.501 . . . . 75.11 111.001 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 t70 63.56 19.14 11.55 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 112.673 0.62 . . . . 72.31 112.673 175.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.62 1.97 63.56 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 121.05 -0.595 . . . . 72.41 113.258 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -127.81 169.87 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.715 -0.476 . . . . 73.23 109.715 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.539 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 34.8 p90 -133.84 148.48 51.3 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.954 -0.466 . . . . 74.35 110.898 172.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.8 t -126.17 112.05 15.34 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.944 0.402 . . . . 52.43 110.82 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 51.9 t -108.1 112.43 24.96 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.301 -0.409 . . . . 75.02 111.418 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 3.3 m-20 -93.63 110.74 22.33 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.389 -0.369 . . . . 70.24 110.951 177.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.401 HD13 HG21 ' B' ' 26' ' ' ILE . 53.9 tp -98.58 137.4 37.29 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.954 0.407 . . . . 74.04 111.848 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.549 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 72.4 mmm -127.66 109.97 12.2 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.969 0.414 . . . . 63.43 111.253 176.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.7 pp -138.53 166.53 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 116.304 -0.407 . . . . 55.14 111.408 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -97.15 137.48 36.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.971 0.415 . . . . 72.51 111.828 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.8 m -128.66 153.97 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 116.169 -0.469 . . . . 71.2 111.025 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -88.29 -19.87 26.18 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.333 0.494 . . . . 71.12 112.333 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -156.25 172.23 18.84 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 120.991 0.424 . . . . 74.42 111.835 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 74.3 p -68.86 -34.48 75.53 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.723 0.638 . . . . 70.34 112.723 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.33 -36.8 85.13 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.442 0.639 . . . . 74.53 109.973 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -57.44 -42.94 83.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.229 -0.896 . . . . 73.14 110.722 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.596 HD13 ' HB1' ' B' ' 6' ' ' ALA . 29.0 tp -67.04 -47.55 71.05 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.92 -0.582 . . . . 73.21 111.503 177.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 64.6 p -65.78 -28.25 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.927 0.343 . . . . 75.34 111.927 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 98.2 m -66.31 -40.83 90.23 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.885 0.374 . . . . 45.43 111.094 177.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.92 -35.05 74.07 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.379 -0.373 . . . . 62.43 111.185 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 59.0 mtt -58.69 -51.61 69.23 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.28 -0.418 . . . . 72.2 110.812 176.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.01 -44.09 82.45 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.167 -0.47 . . . . 52.43 111.192 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -56.91 -42.35 79.78 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.227 -0.442 . . . . 71.01 111.666 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 60.2 mt -72.7 -38.0 67.67 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.143 0.497 . . . . 72.43 111.562 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.46 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 99.8 mtt180 -65.66 -6.72 12.18 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.422 0.527 . . . . 62.42 112.422 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -71.01 -20.3 62.42 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.118 -0.364 . . . . 72.22 111.307 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -84.43 108.12 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.57 0.7 . . . . 71.32 110.916 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' GLN . . . . . 0.406 ' CD ' ' H ' ' B' ' 70' ' ' GLN . 4.7 pm0 -47.12 -30.61 2.9 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.816 -1.084 . . . . 72.31 112.81 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.48 -27.47 72.57 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 121.23 -0.509 . . . . 65.21 113.887 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.451 ' HA ' ' HA3' ' B' ' 12' ' ' GLY . 57.2 t -88.96 143.45 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 122.328 -0.513 . . . . 74.1 111.24 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.57 -19.2 6.41 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.566 0.58 . . . . 73.34 112.566 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.603 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.7 p -127.23 120.34 28.48 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.073 0.463 . . . . 55.4 112.001 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.46 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 40.6 t -128.59 103.34 9.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.06 -0.719 . . . . 53.14 109.06 169.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -123.67 162.55 22.85 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.38 0.61 . . . . 64.52 112.64 -168.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.481 ' HG3' HD21 ' B' ' 59' ' ' LEU . 9.7 ttm180 -92.01 123.4 35.34 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.812 -0.631 . . . . 75.32 110.968 176.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' B' ' 9' ' ' ARG . 95.8 mt -69.61 -53.98 16.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.657 0.265 . . . . 70.23 111.18 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 38.9 t 66.56 -66.41 0.18 Allowed 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.669 0.618 . . . . 63.14 112.669 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -71.95 112.02 7.7 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.874 0.368 . . . . 63.11 110.609 177.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--O 1.233 0.232 0 CA-C-O 121.451 0.643 . . . . 62.11 111.619 -172.562 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.8 p90 . . . . . 0 C--O 1.235 0.336 0 CA-C-O 120.976 0.417 . . . . 73.23 110.655 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.0 tp -81.41 102.93 10.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.345 0.593 . . . . 74.21 110.81 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.424 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -93.89 145.53 24.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.718 -0.674 . . . . 70.22 111.997 -176.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -117.79 144.23 18.11 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.118 -0.563 . . . . 64.42 113.541 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.1 mt -130.99 130.7 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.631 0.373 . . . . 75.03 110.856 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -105.3 124.64 49.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.822 0.344 . . . . 72.22 111.339 177.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.738 HD11 HD13 ' A' ' 66' ' ' LEU . 47.9 mt -117.68 117.6 55.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.179 -0.464 . . . . 75.04 110.966 178.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.63 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 66.3 t -118.46 118.49 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 121.651 0.739 . . . . 62.21 111.381 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.92 170.87 25.1 Favored Glycine 0 CA--C 1.522 0.511 0 CA-C-N 115.339 -0.846 . . . . 71.11 111.904 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.97 142.69 49.4 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.22 0.533 . . . . 61.15 112.393 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.29 83.78 0.77 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.137 0.494 . . . . 62.31 111.366 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HB2' ' CG ' ' A' ' 18' ' ' MET . 34.6 mttp -101.36 154.82 18.46 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.319 0.581 . . . . 64.12 112.474 170.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -41.84 -39.03 1.66 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.326 1.232 . . . . 70.35 114.326 -176.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.46 2.08 15.97 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 120.789 -0.72 . . . . 64.44 113.932 -176.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.516 ' SD ' ' HA3' ' A' ' 71' ' ' GLY . 37.2 mmm -69.24 -51.47 37.3 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.803 0.668 . . . . 71.13 112.803 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.7 p -62.54 -31.66 72.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.955 0.407 . . . . 72.33 111.598 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -76.14 -48.07 21.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.87 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.9 pt20 -63.78 -38.3 90.59 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.493 -0.321 . . . . 73.44 111.53 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.436 HD11 ' CG2' ' A' ' 72' ' ' VAL . 11.2 mm -59.0 -53.96 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.854 0.359 . . . . 70.01 111.938 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -72.43 -27.18 62.17 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.307 0.575 . . . . 72.22 110.453 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.9 -46.55 93.92 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 121.194 -0.527 . . . . 73.45 112.151 172.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.552 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 84.4 t -62.71 -41.29 91.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.907 0.384 . . . . 75.31 110.776 175.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.433 HG21 HD13 ' A' ' 49' ' ' LEU . 72.6 mt -55.71 -44.88 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 116.165 -0.471 . . . . 71.04 111.76 175.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.5 p -65.92 -21.28 66.43 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.156 -0.34 . . . . 75.15 111.344 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 25' ' ' VAL . 53.5 mtmt -81.32 4.22 21.39 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.199 0.444 . . . . 74.51 112.199 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -79.49 167.84 20.24 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.626 0.726 . . . . 64.51 111.98 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -84.43 -21.45 30.73 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.531 -0.759 . . . . 64.4 111.795 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.2 t -87.35 158.13 19.1 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.18 0.514 . . . . 60.01 112.238 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -87.23 125.9 34.48 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.299 -0.41 . . . . 74.24 111.591 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' B' ' 20' ' ' ASN . 69.4 mt -69.39 104.04 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 116.385 -0.37 . . . . 73.35 110.971 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -83.99 -33.18 24.62 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.146 0.498 . . . . 64.34 110.647 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 61.4 m -155.1 132.3 10.99 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.996 -0.547 . . . . 53.44 110.908 175.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.67 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.6 tp -135.74 128.15 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.072 0.463 . . . . 74.23 110.373 174.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 62.8 t -126.16 142.56 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.535 -0.302 . . . . 71.51 110.533 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.634 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.2 tt -145.56 136.65 24.74 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.936 -0.394 . . . . 74.22 109.936 175.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 45' ' ' PHE . 8.7 p30 -151.02 128.77 11.58 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.777 0.323 . . . . 63.33 110.858 173.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -102.6 106.14 16.77 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.12 0.486 . . . . 52.13 111.484 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.694 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -121.92 145.37 48.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.703 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 63.05 7.78 2.9 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.545 0.572 . . . . 64.52 112.545 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.34 -1.14 46.65 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 121.315 -0.469 . . . . 55.24 113.329 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.0 mt -126.11 150.47 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 122.61 -0.347 . . . . 55.24 110.783 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 37.5 p90 -116.42 146.8 42.24 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.199 0.523 . . . . 64.22 111.792 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -121.58 106.76 11.66 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.951 -0.568 . . . . 70.5 110.938 174.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.67 ' SG ' HD11 ' A' ' 36' ' ' ILE . 49.7 t -95.07 123.03 38.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.294 -0.412 . . . . 73.44 111.568 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -103.73 108.65 20.03 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.53 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.459 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 40.8 tp -98.08 131.33 44.57 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.838 0.351 . . . . 65.52 111.863 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.568 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 63.8 mmm -127.89 112.5 14.78 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.395 -0.366 . . . . 73.43 111.318 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.437 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.6 pp -143.11 162.12 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 116.303 -0.408 . . . . 73.02 111.719 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -92.08 137.83 32.04 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.86 0.362 . . . . 65.11 111.968 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 m -132.55 152.04 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.812 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.472 ' H ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.5 -17.73 35.57 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.22 0.452 . . . . 73.51 112.22 179.049 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -154.25 167.82 28.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.778 0.323 . . . . 73.21 111.27 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -73.72 -31.33 63.32 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.841 0.682 . . . . 74.43 112.841 -175.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.21 -33.86 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.494 0.664 . . . . 75.42 110.625 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -57.16 -36.58 70.92 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.467 -0.788 . . . . 72.54 110.837 173.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.503 ' HG ' ' HE3' ' A' ' 63' ' ' MET . 61.3 tp -71.64 -47.68 52.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.998 -0.546 . . . . 63.25 111.684 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.4 p -62.92 -30.1 71.29 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.889 0.376 . . . . 63.13 111.73 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 100.0 m -61.62 -41.71 97.86 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.035 0.445 . . . . 74.23 111.462 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.38 -39.85 94.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.952 0.406 . . . . 64.15 111.577 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.505 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 58.2 mtt -52.18 -49.75 63.23 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.147 -0.479 . . . . 42.24 111.454 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.75 -42.47 93.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.254 -0.43 . . . . 64.34 110.818 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -58.55 -35.65 72.67 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.043 0.449 . . . . 73.32 111.446 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.738 HD13 HD11 ' A' ' 10' ' ' ILE . 64.1 mt -79.92 -26.7 40.04 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.972 -0.558 . . . . 52.23 111.778 179.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 63' ' ' MET . 1.0 OUTLIER -72.61 -7.4 50.05 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.207 0.447 . . . . 74.43 112.207 179.003 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -72.53 -6.98 47.66 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 111.793 0.294 . . . . 71.25 111.793 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.409 HG21 HD13 ' A' ' 22' ' ' ILE . 92.8 t -89.7 117.48 33.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-O 121.104 0.478 . . . . 52.34 111.519 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -54.72 -33.73 61.48 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.057 0.762 . . . . 64.35 113.057 -177.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.516 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -76.66 -12.71 84.21 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 121.092 -0.575 . . . . 51.13 114.292 -175.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.436 ' CG2' HD11 ' A' ' 22' ' ' ILE . 50.4 t -91.46 149.0 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 117.551 0.675 . . . . 72.43 111.748 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.38 -14.06 4.29 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.371 0.508 . . . . 70.45 112.371 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.63 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.1 p -131.98 125.2 30.99 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.01 0.433 . . . . 62.42 111.531 175.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.2 t -139.62 105.14 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 109.658 -0.497 . . . . 65.04 109.658 173.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -141.42 178.1 7.66 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.136 0.421 . . . . 62.42 112.136 -174.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -90.31 152.77 20.88 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.741 0.645 . . . . 75.51 112.741 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.7 mt -109.54 105.17 14.38 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.489 -0.778 . . . . 75.52 110.45 172.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.8 t -92.82 -20.58 20.57 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.758 0.314 . . . . 53.5 111.784 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -98.96 98.95 9.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.301 0.572 . . . . 73.31 111.187 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.5 mt . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 112.8 0.667 . . . . 74.2 112.8 -174.024 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 CA--C 1.542 0.65 0 CA-C-O 120.556 0.217 . . . . 63.13 110.716 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -137.62 158.82 43.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.246 0.546 . . . . 74.11 111.562 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.501 ' O ' HD11 ' B' ' 81' ' ' LEU . 56.4 tp -78.66 104.79 9.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 72.03 110.528 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.517 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -93.52 127.61 39.26 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.893 0.378 . . . . 74.21 111.524 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.0 147.78 17.48 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.326 -0.464 . . . . 74.25 112.591 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.487 HD12 HD23 ' B' ' 49' ' ' LEU . 58.1 mt -133.49 126.72 52.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 117.227 0.514 . . . . 54.1 111.535 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.511 ' HB2' HD21 ' B' ' 78' ' ' LEU . 11.4 tpp85 -97.18 118.79 34.4 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.843 0.354 . . . . 64.25 111.182 175.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.557 HD11 HD13 ' B' ' 66' ' ' LEU . 41.9 mt -117.28 118.08 57.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 116.506 -0.315 . . . . 51.04 111.23 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.603 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 54.8 t -122.23 122.55 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.535 0.683 . . . . 71.33 111.575 175.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.09 171.12 31.44 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.66 -0.7 . . . . 71.41 112.951 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.1 135.89 47.92 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-O 120.945 0.402 . . . . 73.41 111.95 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.95 47.79 0.67 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.079 0.77 . . . . 73.3 113.079 -171.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -80.8 170.09 16.74 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 114.86 1.43 . . . . 73.21 114.86 -171.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -63.68 73.98 0.03 OUTLIER 'General case' 0 C--O 1.235 0.325 0 CA-C-N 113.609 -1.632 . . . . 75.32 112.468 -169.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.36 -14.91 5.58 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.27 -0.877 . . . . 72.31 112.856 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.527 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 33.0 mmm -62.39 -52.41 63.71 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.375 0.509 . . . . 74.51 112.375 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 60.3 p -60.48 -31.05 70.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.038 0.446 . . . . 71.51 111.632 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.44 ' HA ' HD12 ' A' ' 33' ' ' ILE . 15.0 m120 -75.13 -43.62 51.6 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.235 -0.439 . . . . 75.21 111.114 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.503 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -73.66 -34.75 65.08 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.154 -0.475 . . . . 71.53 111.86 -176.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.438 ' O ' HG13 ' B' ' 26' ' ' ILE . 12.6 mm -61.71 -54.32 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.206 0.447 . . . . 75.13 112.206 -176.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -74.12 -27.02 60.67 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.207 0.527 . . . . 64.11 110.254 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.452 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.43 -49.66 76.1 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.974 -0.557 . . . . 44.15 112.541 173.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 21' ' ' GLN . 86.4 t -63.52 -38.49 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 O-C-N 122.328 -0.513 . . . . 73.14 111.231 177.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.453 HG21 HD13 ' B' ' 49' ' ' LEU . 74.4 mt -56.86 -43.84 80.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 112.017 0.377 . . . . 62.45 112.017 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 83.4 p -62.74 -22.0 66.23 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.889 0.376 . . . . 65.34 111.578 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 57.4 mttm -81.09 -0.1 38.44 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 111.999 0.37 . . . . 74.13 111.999 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -73.62 164.4 26.71 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.481 0.658 . . . . 72.11 112.349 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.13 -31.2 68.62 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.424 -0.807 . . . . 71.23 111.165 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.0 t -88.28 168.07 13.02 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.335 -0.848 . . . . 73.02 112.322 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -102.91 128.27 49.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.175 -0.466 . . . . 72.03 111.743 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.433 ' HA ' HG22 ' B' ' 51' ' ' ILE . 62.0 mt -70.55 104.35 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.151 -0.477 . . . . 74.33 111.499 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 32.5 mmm-85 -82.7 -30.84 28.9 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.27 0.557 . . . . 54.21 110.459 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 77.8 m -155.03 147.01 23.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.914 -0.585 . . . . 72.32 110.597 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.634 HG22 ' HB3' ' A' ' 38' ' ' LEU . 18.8 tt -160.26 139.53 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 120.954 0.407 . . . . 72.01 111.314 174.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 95.8 t -137.08 105.28 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 116.533 -0.303 . . . . 75.13 111.34 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.628 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.8 tt -108.87 113.91 27.23 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.825 -0.435 . . . . 71.32 109.825 173.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -132.35 127.78 36.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.021 0.438 . . . . 72.34 111.251 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -94.91 108.07 20.11 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.173 0.511 . . . . 64.34 112.079 -178.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.718 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.1 OUTLIER -114.06 137.92 51.08 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.074 -0.512 . . . . 74.44 110.65 177.213 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 60.15 16.74 6.27 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.22 0.452 . . . . 65.13 112.22 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.74 11.19 64.12 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.576 -0.345 . . . . 73.34 113.478 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mt -129.46 142.18 44.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 122.331 -0.511 . . . . 74.5 110.193 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.557 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 38.4 p90 -108.16 143.28 37.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.924 0.392 . . . . 72.53 111.297 -177.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -119.05 99.26 6.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.333 0.587 . . . . 74.04 110.873 175.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 53.7 t -94.06 107.66 19.56 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.951 -0.568 . . . . 72.05 111.996 -178.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 97.4 m-20 -90.04 112.5 23.96 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.691 -0.231 . . . . 75.25 110.79 174.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.487 HD23 HD12 ' B' ' 8' ' ' ILE . 51.7 tp -98.5 132.08 44.22 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.693 0.282 . . . . 73.22 111.31 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.536 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.3 mmm -124.34 109.72 13.69 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.007 0.432 . . . . 55.34 111.312 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.433 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -141.78 161.01 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 116.101 -0.5 . . . . 73.41 111.792 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -93.81 137.89 32.56 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.242 0.544 . . . . 65.51 112.285 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.2 m -132.61 154.51 40.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.138 -0.483 . . . . 73.33 111.13 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.408 ' HG3' ' OD1' ' B' ' 55' ' ' ASN . 17.2 tppt? -75.36 -45.87 36.65 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.384 -0.371 . . . . 70.32 111.249 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.408 ' OD1' ' HG3' ' B' ' 54' ' ' LYS . 16.7 m120 -134.76 165.2 25.83 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.011 0.434 . . . . 64.52 111.548 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 78.2 p -68.25 -26.45 65.68 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.329 -0.396 . . . . 72.03 111.803 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.04 -38.77 92.29 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.795 0.807 . . . . 72.22 110.422 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -59.52 -38.85 82.05 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.302 -0.863 . . . . 73.34 110.527 172.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.517 HD13 ' HB1' ' B' ' 6' ' ' ALA . 39.2 tp -67.86 -45.66 73.95 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.923 -0.581 . . . . 43.25 111.569 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 72.3 p -62.35 -37.04 84.13 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.881 0.372 . . . . 72.21 111.237 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 67.0 m -57.86 -41.88 83.35 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.314 -0.403 . . . . 70.32 111.188 175.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.0 mt -64.58 -42.38 95.67 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.702 -0.226 . . . . 74.23 111.527 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.453 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 47.6 mtt -52.66 -54.39 34.02 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.34 0.59 . . . . 73.33 110.308 175.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -53.74 -44.68 70.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.105 -0.952 . . . . 74.34 111.254 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 61' ' ' THR . 49.4 mtpt -59.09 -40.17 84.45 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.146 0.498 . . . . 75.32 111.707 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.557 HD13 HD11 ' B' ' 10' ' ' ILE . 51.8 mt -76.14 -26.98 56.83 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.168 0.509 . . . . 74.23 111.583 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' B' ' 63' ' ' MET . 92.3 mtt180 -74.87 -7.55 53.81 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.319 0.489 . . . . 73.5 112.319 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -72.48 -15.56 61.8 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 122.202 -0.311 . . . . 61.1 111.533 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 51.3 t -84.16 123.83 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 121.048 0.452 . . . . 64.34 111.632 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -59.88 -36.32 76.68 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.929 -0.578 . . . . 60.21 112.537 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.527 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -70.24 -17.53 74.17 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 121.098 -0.573 . . . . 70.21 114.208 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.425 HG23 ' HE1' ' B' ' 18' ' ' MET . 60.4 t -92.36 145.53 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 122.154 -0.615 . . . . 73.2 111.268 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.33 -8.99 5.24 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.406 0.521 . . . . 71.12 112.406 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.603 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.0 p -136.02 121.91 19.95 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.891 0.377 . . . . 72.24 111.497 174.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 49.2 t -139.64 103.81 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 110.096 -0.335 . . . . 73.44 110.096 173.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -136.85 164.83 27.38 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.574 -0.284 . . . . 51.35 110.354 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -87.42 152.32 22.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.877 0.846 . . . . 73.14 111.476 176.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' B' ' 9' ' ' ARG . 96.0 mt -94.63 82.03 3.92 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.977 -1.01 . . . . 70.22 109.62 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 32.4 t -56.43 -44.48 80.45 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.211 -0.449 . . . . 75.21 111.81 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -97.88 106.43 18.73 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.256 0.551 . . . . 60.54 110.671 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.501 HD11 ' O ' ' B' ' 5' ' ' LEU . 28.0 mt . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 113.64 0.978 . . . . 74.04 113.64 -172.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.9 p90 . . . . . 0 C--O 1.237 0.406 0 N-CA-C 109.809 -0.441 . . . . 51.43 109.809 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 tp -78.72 103.35 8.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.215 0.531 . . . . 74.53 110.96 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.449 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -93.93 153.4 18.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.696 -0.684 . . . . 62.01 111.557 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.503 ' HA3' ' HB2' ' A' ' 78' ' ' LEU . . . -132.05 147.15 18.62 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.139 -0.553 . . . . 75.42 112.964 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.609 HD12 HD23 ' A' ' 49' ' ' LEU . 49.6 mt -127.54 136.83 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-O 120.876 0.369 . . . . 73.53 110.735 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.501 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 20.4 tpt180 -110.22 120.22 41.74 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.484 -0.325 . . . . 71.32 111.216 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.846 HD11 HD13 ' A' ' 66' ' ' LEU . 63.5 mt -123.15 131.44 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 111.83 0.307 . . . . 65.22 111.83 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.5 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 25.3 t -132.85 119.44 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.568 0.699 . . . . 63.45 110.72 169.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.91 161.54 26.31 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.512 -0.767 . . . . 61.43 112.428 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.77 128.87 37.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.288 0.566 . . . . 74.34 111.868 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.95 107.33 4.63 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.917 -0.583 . . . . 64.2 111.749 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -133.64 164.92 26.12 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.718 0.77 . . . . 71.35 112.828 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -43.46 -35.02 1.47 Allowed 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.152 -1.386 . . . . 70.24 114.332 -174.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.79 -5.5 13.78 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 120.654 -0.784 . . . . 74.45 114.049 -176.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.464 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 63.2 mmm -72.13 -52.29 17.38 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.99 0.737 . . . . 75.34 112.99 -174.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.1 p -60.92 -32.58 72.07 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.96 0.409 . . . . 72.14 111.535 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.4 ' HA ' HD12 ' B' ' 33' ' ' ILE . 14.9 m120 -75.79 -45.77 34.34 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.001 0.429 . . . . 70.2 111.013 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.469 ' O ' HG23 ' A' ' 25' ' ' VAL . 9.4 pt20 -70.33 -35.6 73.72 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.502 -0.317 . . . . 54.03 111.847 -176.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.593 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 12.7 mm -60.71 -54.59 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 112.394 0.516 . . . . 73.35 112.394 -177.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -74.1 -27.65 60.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.094 0.473 . . . . 63.03 110.521 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -61.0 -52.13 54.2 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 121.114 -0.565 . . . . 70.53 112.523 174.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 21' ' ' GLN . 97.6 t -58.73 -40.27 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-O 120.816 0.341 . . . . 65.53 111.54 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.475 HG21 HD13 ' A' ' 49' ' ' LEU . 70.9 mt -55.71 -42.83 71.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.14 0.495 . . . . 72.4 111.73 175.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 m -60.27 -22.04 62.64 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.15 -0.477 . . . . 71.25 111.727 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 43.3 mtpt -85.87 -4.93 59.29 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.064 -0.517 . . . . 75.22 112.371 -172.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -67.61 171.72 5.96 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.691 0.758 . . . . 72.11 112.603 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.77 -33.84 60.2 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.408 -0.815 . . . . 73.42 110.762 178.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -82.9 160.78 22.05 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.562 -0.745 . . . . 71.51 112.574 -174.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -95.25 130.22 42.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.889 -0.596 . . . . 74.23 111.273 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.53 ' HA ' HG22 ' A' ' 51' ' ' ILE . 61.3 mt -67.49 111.15 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.573 -177.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.524 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -84.14 -36.53 22.83 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.22 0.533 . . . . 63.12 110.505 178.251 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 87.9 m -158.88 132.44 7.42 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.807 -0.633 . . . . 65.1 110.56 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.609 HG22 ' HB3' ' B' ' 38' ' ' LEU . 10.5 tp -134.17 138.18 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.028 0.442 . . . . 71.33 110.823 177.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 64.7 t -135.67 136.19 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.33 -0.395 . . . . 74.23 110.667 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.662 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.0 tt -144.62 123.45 12.66 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.734 -0.469 . . . . 64.33 109.734 173.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -139.09 138.67 37.29 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.887 0.375 . . . . 54.41 111.47 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -103.34 121.64 43.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.383 0.611 . . . . 31.51 111.297 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -136.27 143.18 44.1 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.507 -0.769 . . . . 74.25 110.54 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 60.77 10.14 2.54 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.044 0.757 . . . . 65.23 113.044 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.31 -9.81 39.07 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 121.426 -0.416 . . . . 60.31 113.524 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.6 mt -119.26 159.88 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 122.634 -0.333 . . . . 61.14 110.157 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.593 ' CZ ' HG13 ' A' ' 22' ' ' ILE . 21.3 p90 -119.01 149.76 41.1 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.964 -0.46 . . . . 74.33 110.791 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -124.0 119.75 30.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.09 0.471 . . . . 64.5 111.1 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 42.4 t -111.3 129.15 56.08 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.124 -0.489 . . . . 35.02 112.062 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.438 ' O ' HD12 ' A' ' 36' ' ' ILE . 90.1 m-20 -108.67 114.83 28.96 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.373 -0.376 . . . . 74.02 110.524 175.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 8' ' ' ILE . 38.6 tp -99.56 119.72 38.51 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.769 0.319 . . . . 60.4 111.858 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.513 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 68.1 mmm -115.78 111.99 21.33 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.896 0.379 . . . . 64.24 111.068 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.53 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -142.47 159.54 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.981 0.42 . . . . 71.43 111.827 -177.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -94.6 133.64 38.03 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.046 0.45 . . . . 73.41 111.916 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.1 m -133.13 154.15 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 116.45 -0.341 . . . . 65.12 110.558 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -86.14 -33.68 20.79 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.893 0.377 . . . . 72.22 111.285 178.26 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -132.61 145.82 51.4 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.51 -0.313 . . . . 72.25 110.947 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.7 p -63.14 -25.95 68.59 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.904 0.383 . . . . 54.11 111.643 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.81 -36.45 81.16 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.727 0.775 . . . . 53.02 110.242 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -62.22 -46.4 89.04 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.114 -0.948 . . . . 72.54 111.007 174.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.449 HD22 ' HB1' ' A' ' 6' ' ' ALA . 65.2 tp -62.87 -47.5 83.09 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.109 -0.496 . . . . 72.24 111.868 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.4 p -61.56 -30.17 70.49 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.761 0.315 . . . . 74.34 111.658 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.9 m -65.91 -43.87 86.88 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.314 -0.403 . . . . 71.44 111.63 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.79 -34.51 71.55 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.799 0.333 . . . . 64.42 111.481 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' A' ' 77' ' ' ARG . 62.2 mtt -54.93 -52.11 63.98 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.104 0.478 . . . . 74.15 110.997 175.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.46 -43.85 84.32 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.82 -0.627 . . . . 45.25 110.739 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -58.4 -47.22 84.6 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.109 -0.496 . . . . 63.41 111.899 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.846 HD13 HD11 ' A' ' 10' ' ' ILE . 81.4 mt -73.66 -26.54 60.8 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.178 0.513 . . . . 54.11 111.927 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -73.47 -8.38 55.65 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 116.379 -0.373 . . . . 74.53 111.925 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -79.09 -5.37 53.9 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 111.982 0.364 . . . . 74.0 111.982 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.509 HG11 HD11 ' A' ' 22' ' ' ILE . 89.1 t -76.4 134.7 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.693 0.759 . . . . 72.32 112.145 -175.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -49.11 -48.73 44.24 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.605 -1.18 . . . . 74.13 113.941 -176.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.89 4.61 63.27 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.775 -0.726 . . . . 41.53 114.794 -170.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.1 t -93.37 131.04 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-N 117.954 0.877 . . . . 62.32 111.562 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -120.81 -2.47 9.81 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.371 0.508 . . . . 74.14 112.371 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.5 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 29.9 p -138.83 122.12 17.05 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.746 0.308 . . . . 75.05 111.516 177.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.75 105.28 6.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 120.821 0.343 . . . . 74.41 110.355 174.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.501 ' HB2' ' HB3' ' A' ' 9' ' ' ARG . 40.7 mt-10 -122.92 177.7 5.38 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.284 0.564 . . . . 73.41 112.203 -174.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.465 ' HB2' ' CE ' ' A' ' 63' ' ' MET . 10.5 ttp180 -104.21 127.66 51.86 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.772 -0.649 . . . . 65.23 111.144 172.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.503 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . 95.9 mt -76.12 91.0 3.1 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.042 0.449 . . . . 75.11 110.189 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.7 t -78.47 -52.63 8.25 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.145 0.498 . . . . 71.41 111.045 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -86.93 101.71 13.66 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.311 0.577 . . . . 50.1 110.996 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 N--CA 1.47 0.535 0 CA-C-O 121.3 0.571 . . . . 71.44 112.279 -176.92 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 109.846 -0.427 . . . . 70.01 109.846 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -132.06 157.15 44.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.246 0.546 . . . . 64.43 111.308 -176.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.7 tp -80.73 103.46 10.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.635 . . . . 63.05 110.838 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.466 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -97.69 140.53 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.716 -0.675 . . . . 62.42 111.703 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.56 146.37 18.72 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 121.205 -0.521 . . . . 72.35 112.951 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 20.9 mt -136.08 125.84 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 122.653 -0.322 . . . . 65.11 110.603 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.49 ' HB2' HD21 ' B' ' 78' ' ' LEU . 33.0 ttp-105 -103.56 123.01 46.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.935 0.398 . . . . 74.23 111.144 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.599 HD11 HD13 ' B' ' 66' ' ' LEU . 41.7 mt -108.86 116.92 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.065 -0.516 . . . . 70.11 110.698 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.596 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 76.0 t -114.63 114.62 47.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-O 121.408 0.623 . . . . 31.41 111.049 177.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.2 166.76 25.95 Favored Glycine 0 CA--C 1.523 0.583 0 CA-C-N 115.769 -0.65 . . . . 64.43 112.97 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.458 ' HG3' ' HD3' ' B' ' 15' ' ' LYS . 7.8 pt-20 -60.93 117.97 6.12 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 121.226 0.536 . . . . 74.31 112.226 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.56 101.8 0.37 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.16 -0.473 . . . . 71.24 111.126 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.458 ' HD3' ' HG3' ' B' ' 13' ' ' GLU . 49.2 mtpt -138.53 168.65 19.31 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.911 1.078 . . . . 72.52 113.911 -173.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -51.69 -31.01 24.22 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.068 -1.424 . . . . 65.21 114.24 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.26 -16.6 5.16 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.657 -0.782 . . . . 42.42 113.845 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.559 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 61.6 mmm -65.07 -51.8 59.36 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.377 0.88 . . . . 70.32 113.377 -173.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 64.3 p -60.55 -31.9 70.99 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.8 0.333 . . . . 73.41 111.595 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -76.51 -48.17 20.35 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.168 0.509 . . . . 55.04 111.127 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.525 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.1 pt20 -66.33 -39.97 89.6 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.118 -0.492 . . . . 75.31 111.622 -176.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.446 HG13 ' HZ ' ' B' ' 45' ' ' PHE . 9.9 mm -60.19 -54.47 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 112.501 0.556 . . . . 74.45 112.501 -176.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 13.3 m -74.15 -26.95 60.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.171 0.51 . . . . 74.42 110.624 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.94 -43.59 97.96 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.991 -0.623 . . . . 52.23 112.202 171.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.583 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 77.2 t -60.91 -39.16 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 122.748 -0.266 . . . . 63.3 111.139 175.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.729 HD12 HD22 ' B' ' 49' ' ' LEU . 51.3 mm -52.36 -48.46 44.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-O 121.035 0.445 . . . . 73.14 111.792 176.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 60.7 p -62.87 -22.45 66.71 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.052 0.39 . . . . 75.14 112.052 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.583 ' HE3' ' HA ' ' B' ' 25' ' ' VAL . 10.0 mtmp? -78.7 -6.72 56.54 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.267 0.469 . . . . 71.2 112.267 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -67.63 162.48 23.48 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.741 0.782 . . . . 74.35 112.403 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -80.49 -21.89 41.51 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.325 -0.852 . . . . 55.42 111.671 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.4 t -86.24 155.99 20.47 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.162 0.506 . . . . 70.42 111.95 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASN . . . . . 0.407 ' O ' HG22 ' B' ' 51' ' ' ILE . 26.9 t-20 -90.54 129.49 36.69 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.106 0.479 . . . . 75.35 111.619 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.445 ' HA ' HG22 ' B' ' 51' ' ' ILE . 65.5 mt -66.72 120.43 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 115.989 -0.55 . . . . 64.23 111.426 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -97.06 -39.02 9.53 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.315 0.579 . . . . 70.23 110.512 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 55.3 m -152.24 132.06 13.26 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.735 -0.666 . . . . 72.12 110.799 174.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.677 HD11 ' SG ' ' B' ' 47' ' ' CYS . 9.8 tp -133.81 132.92 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 120.859 0.361 . . . . 50.42 110.462 174.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 57.8 t -134.87 143.93 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.743 0.306 . . . . 72.51 110.656 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' A' ' 36' ' ' ILE . 7.9 tt -144.32 115.71 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.081 -0.387 . . . . 72.32 110.048 175.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -130.76 134.75 47.15 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.891 0.377 . . . . 74.15 110.959 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -99.78 112.6 24.84 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.425 0.631 . . . . 63.23 111.637 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -125.02 144.35 50.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.525 -0.762 . . . . 73.21 110.339 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 61.42 15.97 7.08 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.134 0.42 . . . . 72.2 112.134 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.95 5.92 67.64 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 121.407 -0.425 . . . . 54.24 113.23 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.8 mt -128.85 151.15 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 122.725 0.41 . . . . 64.42 110.227 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.54 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 37.4 p90 -113.15 143.62 44.05 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.857 -0.527 . . . . 65.1 111.539 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 1.8 t -118.28 106.3 12.64 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.01 -0.541 . . . . 72.44 111.197 176.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.677 ' SG ' HD11 ' B' ' 36' ' ' ILE . 42.2 t -91.33 114.27 26.75 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.105 -0.498 . . . . 63.23 111.076 177.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -100.8 109.92 21.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.697 0.399 . . . . 74.13 111.066 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.729 HD22 HD12 ' B' ' 26' ' ' ILE . 52.4 tp -98.41 130.87 45.04 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.957 0.408 . . . . 73.41 111.711 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.486 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.3 mmm -123.28 111.02 15.93 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.224 -0.443 . . . . 74.32 110.72 176.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.445 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.5 pp -143.24 162.1 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 116.337 -0.392 . . . . 75.13 111.677 -177.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -91.33 132.92 35.85 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.948 0.404 . . . . 74.15 111.661 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 19.9 m -122.04 144.22 32.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.144 -0.48 . . . . 72.21 111.023 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.461 ' HG3' HD22 ' B' ' 55' ' ' ASN . 17.4 ptmt -79.35 -14.17 59.15 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.41 0.522 . . . . 74.34 112.41 -178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.461 HD22 ' HG3' ' B' ' 54' ' ' LYS . 10.9 p30 -163.77 172.1 14.6 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.823 0.344 . . . . 71.45 111.392 174.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -72.03 -33.85 68.34 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.86 0.689 . . . . 63.21 112.86 -176.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.54 -35.43 80.21 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.535 0.683 . . . . 71.31 110.298 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -57.8 -43.71 85.85 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.349 -0.842 . . . . 72.11 110.757 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.466 HD13 ' HB1' ' B' ' 6' ' ' ALA . 33.9 tp -63.5 -46.6 85.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.85 -0.613 . . . . 70.21 111.666 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 34.3 p -65.56 -29.95 70.63 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 111.99 0.367 . . . . 72.43 111.99 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 50.5 m -62.82 -41.22 99.22 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.808 0.337 . . . . 63.3 111.788 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.07 -35.21 76.36 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.774 0.287 . . . . 61.35 111.774 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.563 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 66.0 mtt -53.84 -53.93 45.61 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.477 -0.329 . . . . 64.23 110.986 177.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -52.98 -46.17 68.17 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.073 -0.512 . . . . 72.23 111.453 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -58.48 -35.34 72.05 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.831 -0.622 . . . . 72.34 111.168 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.599 HD13 HD11 ' B' ' 10' ' ' ILE . 70.1 mt -80.64 -29.1 36.76 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.067 0.46 . . . . 70.44 111.639 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' B' ' 63' ' ' MET . 47.3 mtp180 -73.47 -6.63 47.64 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.442 -0.344 . . . . 74.4 111.586 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.33 -15.07 62.83 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.972 0.36 . . . . 61.44 111.972 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.0 113.38 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 120.784 0.326 . . . . 73.33 111.501 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -57.96 -28.7 64.59 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.34 0.496 . . . . 63.55 112.34 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.559 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -64.48 -20.23 65.45 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 120.976 -0.63 . . . . 72.43 113.344 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.9 t -93.49 141.71 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 O-C-N 122.47 -0.429 . . . . 73.21 110.945 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.84 -23.71 6.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.469 -0.332 . . . . 75.3 111.836 176.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.596 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.0 OUTLIER -123.52 127.26 48.1 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.234 0.54 . . . . 73.11 111.578 176.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.457 HG21 ' HG2' ' B' ' 67' ' ' ARG . 51.9 t -132.69 104.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.164 -0.68 . . . . 63.44 109.164 171.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -128.77 154.54 46.28 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.141 0.496 . . . . 64.14 112.163 -170.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -83.99 133.5 34.68 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.092 -0.504 . . . . 72.24 112.137 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' B' ' 9' ' ' ARG . 87.5 mt -89.7 94.43 9.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.221 0.534 . . . . 74.33 110.004 170.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 60.1 p -79.4 -59.97 2.55 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.96 -0.564 . . . . 40.22 111.358 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -74.63 105.13 5.58 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.938 -0.574 . . . . 65.22 111.187 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.4 mt . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 121.101 0.477 . . . . 63.34 111.481 -178.731 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.9 p90 . . . . . 0 N--CA 1.465 0.296 0 N-CA-C 109.815 -0.439 . . . . 64.32 109.815 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.4 tp -77.73 103.98 7.99 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.199 0.523 . . . . 71.32 111.299 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.489 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -97.86 134.45 40.99 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.016 -0.538 . . . . 61.12 111.671 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.83 141.35 15.88 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.046 -0.597 . . . . 72.55 113.387 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 40.6 mt -128.88 136.85 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 122.622 0.369 . . . . 63.32 110.367 177.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.464 ' NH2' HD21 ' A' ' 48' ' ' ASN . 18.5 ttm180 -118.15 125.0 49.36 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.1 0.476 . . . . 72.21 111.489 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.662 HD11 HD13 ' A' ' 66' ' ' LEU . 25.9 mt -112.87 116.83 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 115.668 -0.696 . . . . 72.52 110.674 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.557 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 95.2 t -115.79 113.59 43.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.547 0.689 . . . . 63.1 110.948 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.19 175.25 21.27 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.468 -0.787 . . . . 75.44 112.639 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.64 133.37 40.87 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.409 0.623 . . . . 70.23 112.124 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -70.92 86.45 0.71 Allowed 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.294 0.568 . . . . 75.2 111.953 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' HB2' ' CG ' ' A' ' 18' ' ' MET . 43.0 mttp -102.09 158.54 16.09 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.508 0.67 . . . . 63.44 112.511 168.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -49.85 -31.32 11.67 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.657 -1.156 . . . . 71.43 113.599 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.67 0.2 17.94 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 120.601 -0.809 . . . . 35.13 114.399 -178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.449 ' CG ' ' HB2' ' A' ' 15' ' ' LYS . 53.5 mmm -74.29 -51.8 14.17 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 117.516 0.658 . . . . 63.01 112.53 -176.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -60.47 -31.26 70.28 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.266 0.555 . . . . 52.5 111.323 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.511 ' ND2' HG13 ' B' ' 33' ' ' ILE . 12.5 m120 -75.16 -48.3 24.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.652 -0.704 . . . . 74.34 110.948 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.1 pt20 -66.34 -37.42 85.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.174 -0.466 . . . . 71.45 111.474 -177.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 22' ' ' ILE . 12.1 mm -62.68 -54.89 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 112.234 0.457 . . . . 61.22 112.234 -177.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 m -72.97 -26.59 61.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.275 0.56 . . . . 71.2 110.193 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.532 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.03 -51.71 57.67 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 121.029 -0.605 . . . . 54.33 112.369 171.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 21' ' ' GLN . 87.4 t -59.66 -40.14 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-O 120.843 0.354 . . . . 74.33 111.174 175.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mt -54.0 -48.73 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 116.165 -0.471 . . . . 74.35 111.798 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.4 p -64.86 -22.02 66.91 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.607 0.241 . . . . 53.11 111.603 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 67.5 mttm -75.05 -5.59 44.89 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.16 0.43 . . . . 72.14 112.16 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -69.37 168.38 14.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.619 0.723 . . . . 73.25 112.338 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.34 -24.71 31.97 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.276 -0.875 . . . . 62.45 111.854 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 t -86.34 159.05 19.51 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.64 0.607 . . . . 72.24 112.64 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -91.06 124.2 35.11 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.924 -0.58 . . . . 62.4 111.804 -174.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.481 ' HA ' HG22 ' A' ' 51' ' ' ILE . 61.5 mt -76.43 110.67 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 116.455 -0.339 . . . . 61.24 111.747 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 21.8 mmt85 -94.14 -20.51 19.82 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 122.063 -0.398 . . . . 75.13 111.711 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.469 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 6.8 m -158.43 142.85 15.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.353 -0.385 . . . . 63.43 110.725 174.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.653 HG22 ' HB3' ' B' ' 38' ' ' LEU . 0.0 OUTLIER -147.5 133.3 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.171 -0.307 . . . . 73.24 110.171 172.876 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.466 HG12 ' OD1' ' A' ' 39' ' ' ASN . 96.6 t -134.23 103.44 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-O 121.032 0.444 . . . . 72.41 111.726 178.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.538 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.3 tt -109.3 113.73 26.81 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 109.912 -0.403 . . . . 73.5 109.912 174.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.466 ' OD1' HG12 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -130.92 112.98 13.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.359 0.599 . . . . 74.44 111.637 178.788 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -85.64 136.08 33.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.645 0.736 . . . . 43.32 112.02 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.707 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -119.64 -145.98 0.38 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.244 -0.889 . . . . 70.42 109.874 177.639 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.496 ' O ' HG13 ' A' ' 44' ' ' ILE . 3.9 m-20 -51.7 86.62 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 112.75 0.648 . . . . 53.22 112.75 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.7 5.64 32.04 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 114.775 0.67 . . . . 62.21 114.775 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 42' ' ' ASP . 3.4 mt -132.52 162.16 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 117.574 0.687 . . . . 72.22 110.804 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.62 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 35.3 p90 -133.07 150.75 52.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.713 0.292 . . . . 73.43 111.172 174.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.548 HG22 ' HE3' ' A' ' 41' ' ' LYS . 1.8 t -127.34 111.71 14.2 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.36 -0.382 . . . . 64.04 111.052 174.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.446 ' SG ' HD11 ' A' ' 36' ' ' ILE . 46.7 t -104.56 116.26 31.77 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.294 -0.412 . . . . 64.12 111.546 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.512 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 75.1 m-20 -97.57 114.07 25.91 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.36 0.264 . . . . 63.22 111.039 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.401 HD23 HD12 ' A' ' 8' ' ' ILE . 39.8 tp -98.12 123.25 42.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.842 0.353 . . . . 64.11 111.191 177.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.469 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 67.2 mmm -117.46 108.22 15.26 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.104 0.478 . . . . 73.31 111.264 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.481 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -139.99 161.4 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.935 -0.575 . . . . 72.22 111.592 -176.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -92.93 139.47 30.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.974 0.416 . . . . 61.04 111.487 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.7 m -132.75 141.8 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.01 0.433 . . . . 73.42 111.47 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -79.19 -15.5 57.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.331 -0.395 . . . . 74.01 112.06 177.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -160.05 153.22 21.89 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.818 0.342 . . . . 70.42 111.553 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -63.93 -27.89 69.45 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.366 -0.379 . . . . 73.21 112.006 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.07 -41.53 78.93 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.213 0.53 . . . . 61.44 110.655 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -57.43 -51.91 67.52 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.918 -0.583 . . . . 71.42 111.143 174.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.489 HD13 ' HB1' ' A' ' 6' ' ' ALA . 58.4 tp -59.12 -48.11 82.8 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.13 -0.486 . . . . 72.05 112.037 -177.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.4 p -63.72 -35.39 80.39 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.825 0.345 . . . . 74.51 111.448 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.2 m -64.88 -45.45 85.92 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.745 0.307 . . . . 74.43 110.948 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.5 mt -58.29 -49.14 78.2 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.602 -0.272 . . . . 71.21 111.416 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 57.6 mtm -61.49 -36.24 79.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 120.985 -0.286 . . . . 72.41 111.424 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.5 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 24.5 t70 -63.8 -45.77 88.16 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.907 -0.317 . . . . 71.41 110.5 174.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -51.38 -39.05 56.36 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.363 0.601 . . . . 64.32 110.955 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.662 HD13 HD11 ' A' ' 10' ' ' ILE . 38.0 mt -76.71 -28.93 56.02 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.808 -0.633 . . . . 70.04 111.403 177.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 67' ' ' ARG . 3.8 mmp_? -67.79 -18.92 65.01 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.382 -0.372 . . . . 72.02 111.767 176.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.5 ' HE3' ' O ' ' A' ' 64' ' ' ASP . 7.7 mmpt? -71.17 -15.87 62.5 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 111.875 0.324 . . . . 72.35 111.875 -176.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.437 HG12 ' H ' ' A' ' 71' ' ' GLY . 60.7 t -78.04 122.06 32.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 121.034 0.445 . . . . 74.24 111.932 -175.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -61.43 -28.23 69.11 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.717 -0.674 . . . . 51.21 112.441 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.437 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -81.6 -11.32 83.2 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 121.248 -0.501 . . . . 73.54 114.095 -177.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.5 t -97.36 147.0 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 117.471 0.636 . . . . 73.02 111.327 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.35 -34.6 4.26 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 111.949 0.352 . . . . 74.23 111.949 175.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.557 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.4 p -116.39 130.9 57.01 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.141 0.496 . . . . 73.35 111.792 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.1 t -138.13 104.3 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 109.383 -0.599 . . . . 73.4 109.383 171.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -124.12 153.39 41.54 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.29 -0.414 . . . . 74.43 111.812 -171.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.458 ' HD2' HD21 ' A' ' 59' ' ' LEU . 30.4 ttt85 -82.77 126.99 33.02 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.952 0.406 . . . . 71.41 110.858 172.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.9 mt -76.85 96.59 4.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.994 0.426 . . . . 73.42 109.926 172.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.9 p -73.61 -57.31 4.08 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.08 0.467 . . . . 55.32 111.372 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -84.99 107.39 17.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.41 -0.359 . . . . 61.25 110.043 175.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 121.627 0.727 . . . . 74.4 112.77 -173.365 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.492 ' HA ' ' HA ' ' B' ' 54' ' ' LYS . 4.8 p-10 . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.148 0.499 . . . . 53.23 112.058 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.89 153.89 33.95 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.135 -0.484 . . . . 63.42 110.767 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 tp -78.8 103.21 8.6 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.041 0.448 . . . . 74.1 111.085 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.402 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -94.1 149.01 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.027 -0.533 . . . . 54.53 111.547 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLY . . . . . 0.444 ' HA3' ' HB2' ' B' ' 78' ' ' LEU . . . -122.13 145.54 16.66 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.831 -0.7 . . . . 63.35 113.306 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.495 HD12 HD23 ' B' ' 49' ' ' LEU . 49.5 mt -132.86 149.71 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 122.72 0.408 . . . . 75.03 110.46 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -130.65 124.86 32.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.944 0.402 . . . . 73.25 111.171 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.562 ' HB ' ' HB3' ' B' ' 47' ' ' CYS . 35.3 mt -116.37 117.31 55.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.042 -0.526 . . . . 65.42 110.822 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.653 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 54.3 t -116.62 114.29 45.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-O 121.698 0.761 . . . . 73.12 111.29 176.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.45 170.89 24.23 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.324 -0.853 . . . . 70.02 112.234 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -68.48 134.67 50.47 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.111 0.481 . . . . 65.32 112.099 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -78.61 81.82 4.9 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.449 0.642 . . . . 61.21 111.433 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -94.43 166.71 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.649 0.738 . . . . 75.52 112.649 170.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -75.58 55.89 0.86 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.56 -1.2 . . . . 72.35 111.123 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.26 -27.48 0.25 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.945 -0.57 . . . . 74.2 112.939 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.46 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 38.6 mmm -56.84 -51.01 70.69 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.251 0.463 . . . . 71.34 112.251 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.7 p -58.3 -33.8 69.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.966 0.413 . . . . 64.22 111.831 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -72.47 -47.76 46.21 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.173 0.511 . . . . 54.51 110.659 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.46 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 8.7 pt20 -66.34 -36.7 83.58 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.984 -0.553 . . . . 72.0 111.441 -177.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.48 HD11 HG11 ' B' ' 69' ' ' VAL . 13.8 mm -62.01 -54.45 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 112.22 0.452 . . . . 70.21 112.22 -177.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -71.79 -27.24 62.81 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.228 0.537 . . . . 65.13 110.259 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.505 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.77 -47.58 90.24 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 115.869 -0.605 . . . . 73.21 112.437 173.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 21' ' ' GLN . 92.6 t -65.81 -38.81 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 122.611 -0.346 . . . . 74.43 111.111 175.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.431 HG13 ' O ' ' B' ' 22' ' ' ILE . 72.8 mt -58.11 -41.91 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 120.858 0.361 . . . . 71.24 111.717 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 84.0 p -65.03 -21.58 66.86 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 122.13 -0.356 . . . . 62.23 111.4 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 29.2 mtpp -80.58 -0.91 39.87 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.038 0.384 . . . . 72.54 112.038 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -70.22 163.71 25.85 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.515 0.674 . . . . 74.14 112.078 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -19.05 50.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.734 -0.666 . . . . 74.11 111.328 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.8 t -97.4 157.08 16.17 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.887 0.699 . . . . 63.44 112.887 -170.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -84.55 126.26 33.15 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.734 -0.666 . . . . 75.22 111.287 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.517 ' HA ' HG22 ' B' ' 51' ' ' ILE . 73.3 mt -75.83 99.4 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 120.925 0.393 . . . . 72.33 111.595 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -76.89 -27.35 54.95 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.272 0.558 . . . . 73.01 110.696 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.585 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 6.7 m -159.55 148.49 17.94 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.034 -0.53 . . . . 65.13 110.514 176.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.538 HG22 ' HB3' ' A' ' 38' ' ' LEU . 17.5 tt -157.63 138.35 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.45 0.643 . . . . 73.23 111.628 171.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.543 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 92.8 t -130.37 146.96 33.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.563 -0.744 . . . . 70.33 110.022 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.653 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.6 tt -143.04 110.94 5.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.045 -0.354 . . . . 63.22 110.045 172.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' B' ' 45' ' ' PHE . 55.6 m-20 -113.53 107.91 16.45 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.474 -0.33 . . . . 65.41 111.485 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -90.74 103.69 16.36 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.274 0.559 . . . . 73.33 110.694 175.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' B' ' 43' ' ' GLY . 64.0 pttt -124.54 141.83 51.8 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.993 -0.549 . . . . 71.43 110.507 -178.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' B' ' 41' ' ' LYS . 18.6 t70 71.05 -32.8 0.25 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.573 0.583 . . . . 72.53 112.573 178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' B' ' 41' ' ' LYS . . . 140.84 0.81 1.68 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.711 -0.556 . . . . 45.12 111.711 -171.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.06 153.13 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 122.77 0.428 . . . . 73.24 110.158 175.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.3 p90 -118.48 141.11 48.88 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.897 0.38 . . . . 73.12 111.367 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -113.49 99.89 8.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.992 0.425 . . . . 64.34 110.875 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.562 ' HB3' ' HB ' ' B' ' 10' ' ' ILE . 43.4 t -87.29 108.79 19.11 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.131 0.491 . . . . 72.53 111.803 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.543 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 23.0 m-80 -93.15 105.34 17.44 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.217 -0.447 . . . . 73.3 111.3 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.495 HD23 HD12 ' B' ' 8' ' ' ILE . 63.7 tp -98.29 139.69 33.7 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.864 0.364 . . . . 74.14 111.37 -178.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.585 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.4 mmm -131.61 112.84 12.95 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.852 0.358 . . . . 75.15 110.857 176.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.517 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -139.43 159.07 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.982 0.42 . . . . 63.23 111.822 -176.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -93.23 132.71 37.15 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.022 0.439 . . . . 74.11 112.161 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 m -135.81 159.16 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 116.311 -0.404 . . . . 73.44 110.499 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.492 ' HA ' ' HA ' ' B' ' 3' ' ' ASP . 38.0 mtmm -97.64 -18.87 18.65 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.931 0.396 . . . . 74.23 111.983 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -136.95 142.27 42.64 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.946 0.403 . . . . 73.34 111.45 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -61.04 -29.89 69.99 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.862 0.363 . . . . 73.32 111.585 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.97 -38.67 91.72 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.579 0.704 . . . . 54.52 110.473 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -58.02 -40.85 81.82 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.447 -0.797 . . . . 61.42 110.959 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.402 HD13 ' HB1' ' B' ' 6' ' ' ALA . 57.3 tp -65.11 -47.62 76.51 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.039 -0.528 . . . . 73.42 111.587 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.3 p -64.62 -32.48 74.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.916 0.389 . . . . 65.21 111.235 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 56.1 m -58.43 -41.38 84.93 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.972 0.415 . . . . 73.55 111.326 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.11 -38.12 89.91 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.433 -0.349 . . . . 74.1 110.971 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.443 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 59.4 mtt -55.97 -53.68 53.91 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.53 -0.305 . . . . 74.25 110.678 176.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -53.61 -42.2 67.45 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.266 -0.424 . . . . 71.13 111.195 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -58.94 -45.24 90.91 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.209 0.528 . . . . 71.22 111.337 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.434 HD13 HD11 ' B' ' 10' ' ' ILE . 51.0 mt -72.71 -26.73 61.7 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.098 -0.501 . . . . 74.43 111.575 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' B' ' 63' ' ' MET . 92.7 mtt180 -74.28 -8.35 55.92 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.672 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -77.71 -15.15 59.35 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.785 0.326 . . . . 73.12 111.672 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.48 HG11 HD11 ' B' ' 22' ' ' ILE . 45.1 t -76.03 118.89 23.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.379 0.609 . . . . 64.01 111.47 -177.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 pm0 -51.28 -33.13 27.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.971 -1.013 . . . . 75.44 113.359 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.415 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -93.72 -1.27 65.92 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 120.92 -0.657 . . . . 64.4 114.596 -174.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -104.88 129.9 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-N 117.811 0.806 . . . . 71.24 111.83 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -111.04 -17.37 13.28 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.495 0.554 . . . . 74.55 112.495 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.653 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.1 p -129.06 127.93 42.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.168 0.509 . . . . 70.13 111.893 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.0 t -135.95 104.75 4.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 116.051 -0.522 . . . . 63.34 109.841 172.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -123.73 170.99 9.96 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.283 -0.417 . . . . 50.13 111.875 -171.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -95.79 142.5 28.0 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.163 0.506 . . . . 70.12 111.259 172.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.444 ' HB2' ' HA3' ' B' ' 7' ' ' GLY . 97.5 mt -87.68 109.59 19.8 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.13 0.49 . . . . 71.22 110.285 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 79.6 p -89.51 -43.25 10.95 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.594 0.59 . . . . 75.31 112.594 -173.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -95.85 100.1 11.84 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 120.961 0.41 . . . . 60.54 110.886 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 mt . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 121.371 0.605 . . . . 72.35 112.582 -174.926 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.4 p90 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.821 0.343 . . . . 73.15 110.16 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.6 tp -83.01 107.29 15.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.255 0.55 . . . . 75.2 111.361 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -100.32 156.29 17.32 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.811 -0.631 . . . . 71.11 111.709 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.09 147.43 17.71 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 121.128 -0.558 . . . . 40.51 113.594 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.412 HG23 ' HG2' ' A' ' 63' ' ' MET . 41.3 mt -135.76 151.01 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.097 0.559 . . . . 55.33 110.397 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.474 ' HB2' HD21 ' A' ' 78' ' ' LEU . 68.4 ttt180 -131.01 137.56 49.26 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 122.066 -0.396 . . . . 71.3 111.167 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.724 HD11 HD13 ' A' ' 66' ' ' LEU . 46.5 mt -127.9 118.6 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 116.297 -0.41 . . . . 71.15 111.722 -174.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.647 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.3 t -117.07 115.41 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.55 0.69 . . . . 73.55 110.8 172.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.69 168.68 25.83 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.681 -0.69 . . . . 62.03 112.792 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.55 132.09 46.35 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.392 0.615 . . . . 73.0 112.194 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.18 89.71 4.88 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.269 0.557 . . . . 75.44 111.664 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 35.6 mttp -100.83 173.5 6.47 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.797 1.036 . . . . 52.42 113.797 175.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -52.21 -13.5 0.34 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.984 -1.462 . . . . 74.14 114.499 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.46 2.37 0.93 Allowed Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.553 -0.832 . . . . 72.1 114.303 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.507 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 71.5 mmm -64.63 -51.42 62.73 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 117.685 0.742 . . . . 64.11 112.916 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.9 p -60.74 -32.23 71.52 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 122.024 -0.422 . . . . 75.45 111.772 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -74.83 -45.75 41.22 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.987 0.422 . . . . 75.33 110.837 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.507 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.2 pt20 -70.61 -33.19 70.77 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.209 -0.45 . . . . 75.43 111.77 -177.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.528 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 11.7 mm -63.91 -54.66 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 112.111 0.412 . . . . 53.22 112.111 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 m -72.29 -26.8 62.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.269 0.557 . . . . 71.34 110.062 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.599 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.66 -52.3 53.86 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.797 -0.638 . . . . 55.22 112.373 172.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 21' ' ' GLN . 69.9 t -60.32 -38.0 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 122.366 -0.491 . . . . 60.2 111.086 176.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 22' ' ' ILE . 69.2 mt -58.39 -45.09 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 116.2 -0.455 . . . . 65.12 111.774 175.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.446 ' HA ' HD11 ' A' ' 33' ' ' ILE . 96.9 p -67.99 -22.26 65.01 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.834 0.35 . . . . 64.44 111.137 178.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 95.5 mttt -75.55 -6.72 51.66 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.581 -0.281 . . . . 74.3 111.62 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' HE1' ' HZ2' ' A' ' 65' ' ' LYS . 18.3 m-30 -69.03 147.51 51.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.359 0.599 . . . . 71.52 112.18 178.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -63.64 -23.02 67.21 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.525 -0.761 . . . . 63.1 112.336 177.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.8 t -86.97 169.47 12.42 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.322 0.582 . . . . 73.52 112.293 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.445 ' O ' HG22 ' A' ' 51' ' ' ILE . 16.5 m120 -94.63 122.13 36.91 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.18 -0.464 . . . . 75.34 112.241 -177.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.446 HD11 ' HA ' ' A' ' 27' ' ' SER . 57.8 mt -65.33 94.75 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-O 120.96 0.41 . . . . 63.24 110.68 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -80.24 -32.25 38.42 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.792 0.329 . . . . 72.52 110.765 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 63.7 m -155.85 135.91 12.88 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.202 -0.454 . . . . 75.01 110.732 174.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' B' ' 37' ' ' VAL . 10.8 tp -136.01 144.35 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.673 0.273 . . . . 71.14 111.21 177.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 99.3 t -135.06 139.3 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.361 -0.381 . . . . 74.53 110.275 174.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.652 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.3 tt -145.08 127.65 16.09 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.583 -0.525 . . . . 73.54 109.583 171.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.467 ' OD1' HG23 ' A' ' 46' ' ' THR . 1.9 p-10 -144.86 119.34 9.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.209 0.528 . . . . 72.45 111.688 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -104.94 120.69 42.06 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.772 -0.649 . . . . 65.43 112.097 -177.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -129.85 142.21 50.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.403 -0.362 . . . . 72.45 111.416 177.521 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.4 t70 70.78 -28.43 0.18 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 113.314 0.857 . . . . 54.01 113.314 174.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.68 -2.96 1.29 Allowed Glycine 0 CA--C 1.524 0.613 0 C-N-CA 121.417 -0.42 . . . . 61.03 112.238 -175.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mt -124.9 154.5 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.693 0.282 . . . . 72.41 110.303 176.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.545 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 45.0 p90 -122.63 154.24 38.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 73.14 111.351 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.467 HG23 ' OD1' ' A' ' 39' ' ' ASN . 1.5 t -124.75 103.44 8.09 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.118 0.485 . . . . 73.14 111.352 172.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 45.1 t -97.23 117.67 31.97 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.424 -0.353 . . . . 61.44 111.609 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.504 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 3.1 m-20 -103.11 115.49 30.68 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.397 0.279 . . . . 63.22 110.935 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.1 tp -101.46 136.44 41.29 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.315 0.487 . . . . 62.52 112.315 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.588 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 72.5 mmm -127.31 112.85 15.53 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.765 175.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 32' ' ' ASN . 2.3 pp -141.86 165.72 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 116.355 -0.384 . . . . 54.01 111.72 -175.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -97.0 133.79 41.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.966 0.412 . . . . 55.43 111.953 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 m -132.38 153.32 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.948 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -91.17 -3.06 57.36 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.39 0.515 . . . . 71.45 112.39 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -169.28 148.02 3.83 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 120.769 0.319 . . . . 75.43 111.739 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.2 p -60.59 -26.23 66.82 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.309 0.485 . . . . 73.32 112.309 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.95 -44.31 96.41 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.349 0.595 . . . . 73.11 110.017 177.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -57.16 -41.22 78.79 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.459 -0.791 . . . . 64.52 110.843 174.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.476 HD13 ' HB1' ' A' ' 6' ' ' ALA . 45.7 tp -61.49 -47.41 85.78 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.098 -0.501 . . . . 72.5 111.501 177.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.3 p -64.9 -31.66 73.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.852 0.358 . . . . 54.31 111.183 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.441 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 95.0 m -62.16 -45.26 94.22 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.881 0.372 . . . . 60.1 111.242 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.9 -48.43 80.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.599 -0.273 . . . . 62.34 111.374 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.487 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 69.1 mtm -56.23 -39.03 71.87 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.849 0.357 . . . . 74.45 110.957 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 13.2 t70 -62.32 -46.32 89.26 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.521 -0.308 . . . . 53.44 110.722 175.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB3' ' HZ2' ' A' ' 65' ' ' LYS . 9.0 mtpm? -55.99 -38.71 70.81 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.067 0.461 . . . . 74.13 111.413 176.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.724 HD13 HD11 ' A' ' 10' ' ' ILE . 60.9 mt -73.07 -32.37 64.98 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.029 -0.532 . . . . 74.53 111.34 178.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 63' ' ' MET . 91.9 mtt180 -71.87 -8.85 56.82 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.833 0.349 . . . . 74.43 111.909 177.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.512 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -79.67 -8.54 59.28 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 111.769 0.285 . . . . 75.02 111.769 177.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.9 t -78.65 131.34 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.162 0.506 . . . . 65.51 111.494 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 71' ' ' GLY . 19.0 pt20 -48.22 -48.78 34.85 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.692 0.997 . . . . 62.43 113.692 -174.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.464 ' N ' ' HG3' ' A' ' 70' ' ' GLN . . . -92.78 0.62 70.27 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 115.064 0.785 . . . . 63.32 115.064 -170.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.9 t -94.68 126.26 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 118.155 0.978 . . . . 72.34 111.747 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.11 -24.44 11.95 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.171 -0.468 . . . . 75.24 112.188 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.647 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.3 p -125.25 128.72 48.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.302 0.572 . . . . 62.32 112.091 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 37.7 t -141.33 105.19 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.762 -0.654 . . . . 44.24 109.339 172.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -118.1 164.07 15.68 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.271 0.558 . . . . 55.11 112.392 -173.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.426 ' NH1' ' OG ' ' A' ' 79' ' ' SER . 64.0 ttp85 -86.53 146.5 26.35 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.844 -0.616 . . . . 73.44 111.093 175.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.474 HD21 ' HB2' ' A' ' 9' ' ' ARG . 98.0 mt -104.35 123.25 47.06 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.902 0.382 . . . . 72.21 110.882 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.426 ' OG ' ' NH1' ' A' ' 77' ' ' ARG . 71.2 m -101.33 -45.9 5.19 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.19 0.519 . . . . 62.43 111.33 -178.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -83.13 104.64 13.47 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.108 -0.496 . . . . 63.14 111.003 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 CA--C 1.539 0.544 0 CA-C-O 120.997 0.427 . . . . 71.22 112.146 -175.857 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.43 ' HA ' ' HA ' ' B' ' 54' ' ' LYS . 6.6 p-10 . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 121.191 0.519 . . . . 61.23 112.357 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -113.12 157.68 21.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.101 -0.5 . . . . 74.15 110.112 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 58.9 tp -80.05 108.53 13.72 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.102 0.477 . . . . 74.12 111.461 -178.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.411 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -108.48 156.03 19.93 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.984 -0.553 . . . . 62.14 112.069 -177.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.98 145.72 15.86 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 121.193 -0.527 . . . . 63.3 113.424 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 54.3 mt -132.48 141.16 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 122.883 0.473 . . . . 74.31 110.922 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.529 ' HB2' HD21 ' B' ' 78' ' ' LEU . 77.2 ttt180 -119.3 127.63 53.38 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 122.002 -0.436 . . . . 71.43 111.279 175.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 46' ' ' THR . 22.0 mt -117.45 118.54 58.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-N 116.075 -0.511 . . . . 71.42 111.089 -178.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.6 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 89.3 t -118.34 118.73 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.47 0.652 . . . . 65.3 111.208 174.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.09 164.87 25.79 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.575 -0.739 . . . . 72.42 112.346 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.406 ' HG3' ' HG2' ' B' ' 15' ' ' LYS . 24.7 pt-20 -69.28 135.81 51.0 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.145 0.498 . . . . 72.13 111.844 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.83 87.94 0.54 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.383 0.611 . . . . 64.21 111.409 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.44 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 32.5 mmmt -88.57 -178.3 5.79 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 122.123 0.963 . . . . 61.32 112.663 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -45.17 -36.7 3.95 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 113.805 -1.543 . . . . 70.35 113.306 175.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.75 24.22 0.49 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 120.829 -0.7 . . . . 74.25 114.125 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.53 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 30.4 mmm -61.2 -50.04 74.74 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.574 0.583 . . . . 71.44 112.574 -179.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 68.1 p -55.01 -33.78 62.9 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.189 0.519 . . . . 73.41 111.525 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -76.02 -48.56 20.5 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.938 -0.573 . . . . 74.03 111.03 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.53 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -67.55 -37.86 83.31 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.319 -0.4 . . . . 60.04 111.561 -177.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' B' ' 22' ' ' ILE . 11.8 mm -57.79 -54.0 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 112.194 0.442 . . . . 62.12 112.194 -177.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m -73.37 -27.08 61.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.365 0.602 . . . . 61.01 110.491 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -38.98 96.65 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-N 115.947 -0.57 . . . . 64.31 112.765 172.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 21' ' ' GLN . 94.8 t -71.96 -35.44 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 O-C-N 122.433 -0.451 . . . . 63.53 111.029 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.436 HG21 HD13 ' B' ' 49' ' ' LEU . 66.4 mt -56.68 -41.33 74.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 120.947 0.403 . . . . 61.25 111.967 176.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.4 p -62.37 -20.86 64.85 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 120.782 0.325 . . . . 54.35 111.528 177.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -90.97 16.82 8.8 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 111.979 0.362 . . . . 72.44 111.979 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' PHE . . . . . 0.401 ' CE1' ' HE3' ' B' ' 65' ' ' LYS . 12.1 m-30 -84.0 166.9 17.38 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.059 0.933 . . . . 74.51 113.217 -178.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.66 13.61 5.51 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 114.574 -1.194 . . . . 63.04 111.555 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.4 t -134.15 163.71 28.99 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.84 -0.537 . . . . 63.03 111.915 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASN . . . . . 0.402 ' O ' HG22 ' B' ' 51' ' ' ILE . 24.3 m120 -97.0 134.18 40.7 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.012 0.434 . . . . 71.52 111.864 -177.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.459 ' HA ' HG22 ' B' ' 51' ' ' ILE . 62.9 mt -72.43 120.68 21.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 116.155 -0.475 . . . . 65.42 111.951 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.443 ' HD3' ' HA ' ' B' ' 34' ' ' ARG . 20.6 mmt180 -98.79 -33.15 11.02 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.914 0.388 . . . . 75.24 111.174 173.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 30.3 m -153.92 132.09 11.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.181 -0.463 . . . . 64.24 111.033 174.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.671 HD11 ' SG ' ' B' ' 47' ' ' CYS . 10.4 tp -133.53 119.04 32.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.045 0.45 . . . . 63.3 110.188 173.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 77.9 t -131.35 104.59 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.05 0.452 . . . . 64.24 111.602 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 35' ' ' THR . 8.3 tt -111.62 131.32 55.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.406 -0.361 . . . . 70.44 110.051 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -143.37 139.11 29.86 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.981 0.42 . . . . 75.02 110.918 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.583 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -109.0 117.1 33.34 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.085 0.469 . . . . 75.32 111.349 178.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.482 ' HG2' ' OD2' ' B' ' 42' ' ' ASP . 0.0 OUTLIER -146.93 153.96 40.72 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.787 -0.642 . . . . 73.42 109.851 -179.522 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ASP . . . . . 0.482 ' OD2' ' HG2' ' B' ' 41' ' ' LYS . 22.6 m-20 63.77 21.14 12.55 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.994 0.426 . . . . 74.01 111.388 -176.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.89 -5.15 85.64 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.541 -0.361 . . . . 50.13 113.851 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -124.8 162.03 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 122.537 -0.39 . . . . 54.34 110.201 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.583 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 25.9 p90 -121.72 144.72 48.62 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.873 -0.517 . . . . 73.2 111.685 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 8.7 t -122.75 111.79 17.13 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.005 -0.543 . . . . 71.21 110.987 175.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.671 ' SG ' HD11 ' B' ' 36' ' ' ILE . 44.9 t -92.14 128.63 38.06 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.262 -0.426 . . . . 42.21 110.726 176.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.447 ' O ' HD12 ' B' ' 36' ' ' ILE . 46.3 t-20 -109.41 113.32 26.02 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.332 -0.395 . . . . 53.42 110.671 -177.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.436 HD13 HG21 ' B' ' 26' ' ' ILE . 59.3 tp -111.62 117.38 32.79 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.246 0.546 . . . . 74.43 112.453 -176.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.585 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 69.3 mmm -112.36 112.1 23.43 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.985 -0.552 . . . . 74.21 110.966 175.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.459 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -141.6 165.41 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 116.271 -0.422 . . . . 75.32 111.46 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -92.54 136.53 33.14 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.973 0.416 . . . . 62.11 111.833 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -130.86 141.35 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.851 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' B' ' 3' ' ' ASP . 0.1 OUTLIER -73.08 -11.55 60.59 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.669 0.618 . . . . 75.23 112.669 179.627 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -174.93 176.62 2.14 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.901 0.481 . . . . 74.4 110.962 173.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 81.9 p -70.06 -32.91 71.25 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.662 0.616 . . . . 63.35 112.662 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -62.72 -42.0 99.44 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.766 0.794 . . . . 55.33 110.217 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -58.14 -39.91 79.95 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.896 -1.047 . . . . 73.34 110.976 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.411 HD22 ' HB1' ' B' ' 6' ' ' ALA . 54.7 tp -66.77 -48.17 69.88 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.217 -0.447 . . . . 71.03 111.642 177.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 70.0 p -66.04 -27.72 68.31 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.423 -0.353 . . . . 62.34 111.858 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 92.2 m -58.3 -41.8 85.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.198 0.523 . . . . 73.22 111.051 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.51 -35.58 79.84 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.996 -0.547 . . . . 63.13 111.3 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.454 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 55.3 mtt -59.01 -51.1 71.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.884 0.373 . . . . 53.22 110.526 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.14 -45.11 79.7 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.011 -0.54 . . . . 62.15 110.991 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.401 ' HE3' ' CE1' ' B' ' 29' ' ' PHE . 28.4 mtpp -55.43 -43.67 75.58 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.022 0.439 . . . . 73.32 111.71 176.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 43.6 mt -72.06 -33.11 67.7 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.184 0.516 . . . . 55.44 111.652 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.458 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 98.2 mtt180 -70.15 -7.53 42.4 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.355 0.502 . . . . 75.51 112.355 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -71.95 -15.83 62.08 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 122.011 -0.431 . . . . 60.21 111.2 176.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.481 HG12 ' H ' ' B' ' 71' ' ' GLY . 51.2 t -82.87 119.02 31.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.942 0.401 . . . . 63.0 111.257 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -62.66 -20.2 64.58 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.915 -0.584 . . . . 74.21 112.493 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.481 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -80.46 -20.47 66.48 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 121.116 -0.564 . . . . 73.5 113.73 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 53.4 t -91.3 146.06 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 117.423 0.611 . . . . 74.34 111.53 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -123.96 -21.46 5.09 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.298 0.481 . . . . 74.25 112.298 175.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.6 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 7.8 p -127.22 123.55 36.84 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.926 -0.483 . . . . 62.51 111.841 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.458 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 37.2 t -134.28 103.68 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 109.367 -0.605 . . . . 72.54 109.367 170.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -122.01 170.96 9.31 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.234 0.54 . . . . 75.15 112.231 -169.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -94.76 144.0 25.99 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.017 -0.538 . . . . 64.32 110.671 172.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' B' ' 9' ' ' ARG . 90.0 mt -92.12 125.13 36.68 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.384 -0.371 . . . . 75.33 111.349 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 97.2 p -88.93 -53.98 4.34 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.036 0.384 . . . . 73.52 112.036 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -99.85 108.25 20.47 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.138 0.494 . . . . 63.52 111.78 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.2 mt . . . . . 0 CA--C 1.535 0.386 0 CA-C-N 116.053 -0.521 . . . . 65.44 111.582 -177.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 6' ' ' ALA . 55.2 p90 . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.882 0.372 . . . . 75.12 110.418 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.2 tp -81.68 102.43 10.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.36 0.6 . . . . 54.12 110.931 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.442 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -95.37 155.75 16.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.589 -0.732 . . . . 74.13 111.575 -178.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.33 143.1 14.13 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.172 -0.467 . . . . 63.25 112.811 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.2 mt -131.34 138.08 54.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 122.727 -0.279 . . . . 73.32 110.601 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.555 ' HB2' HD21 ' A' ' 78' ' ' LEU . 54.7 ttp180 -111.75 118.37 35.43 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.183 -0.302 . . . . 74.34 110.183 174.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.524 ' O ' ' HA ' ' A' ' 46' ' ' THR . 31.6 mt -105.91 116.6 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.625 -0.261 . . . . 73.32 110.799 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.574 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 54.4 t -116.31 113.55 43.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 121.669 0.747 . . . . 71.23 111.504 178.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.26 167.62 26.03 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.388 -0.824 . . . . 53.24 112.645 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -65.16 134.05 52.88 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.389 0.614 . . . . 73.21 112.403 -177.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.505 ' CG ' HH12 ' B' ' 34' ' ' ARG . 12.6 t70 -74.08 111.77 9.57 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.811 -0.631 . . . . 74.03 111.613 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -137.77 168.61 19.33 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.489 0.922 . . . . 64.45 113.489 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -72.07 57.9 0.35 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.181 -1.372 . . . . 73.3 112.03 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.38 -33.06 0.32 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 115.451 -0.795 . . . . 72.23 113.268 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.45 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 58.4 mmm -57.96 -51.62 68.89 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.951 0.723 . . . . 71.22 112.951 -178.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.3 p -59.39 -34.15 72.07 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.186 0.517 . . . . 74.02 111.573 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.481 ' HA ' HD12 ' B' ' 33' ' ' ILE . 2.2 m-20 -76.06 -42.38 47.72 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.89 -0.596 . . . . 71.03 111.39 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.6 pt20 -71.93 -37.31 70.04 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.885 0.374 . . . . 73.43 111.293 -176.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 22' ' ' ILE . 10.1 mm -61.36 -54.33 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.237 0.458 . . . . 43.52 112.237 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.0 m -71.38 -26.97 63.02 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.412 0.625 . . . . 65.24 110.027 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.57 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.43 -45.12 96.02 Favored Glycine 0 CA--C 1.528 0.869 0 CA-C-N 115.753 -0.658 . . . . 51.03 112.582 172.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 21' ' ' GLN . 89.6 t -65.55 -38.39 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 122.364 -0.492 . . . . 61.11 110.933 176.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.462 HG21 HD13 ' A' ' 49' ' ' LEU . 62.5 mt -55.75 -44.63 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 116.165 -0.47 . . . . 74.11 112.084 176.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.5 p -64.2 -21.59 66.63 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.872 0.368 . . . . 72.12 111.03 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 91.2 mttt -86.7 14.32 7.24 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.32 -0.4 . . . . 55.33 111.724 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -86.17 175.42 8.52 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.713 0.768 . . . . 71.11 112.496 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.45 8.55 38.16 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.157 -0.928 . . . . 73.55 111.468 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 t -129.0 165.95 20.14 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 112.515 0.561 . . . . 63.33 112.515 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -99.58 119.93 38.85 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.169 -0.469 . . . . 71.32 112.115 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.61 119.21 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 116.071 -0.513 . . . . 74.0 111.425 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 4.4 mmp_? -100.98 -30.66 11.51 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.462 0.649 . . . . 64.54 110.441 175.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 18.4 m -156.95 145.65 19.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.443 -0.798 . . . . 34.55 109.791 176.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' B' ' 37' ' ' VAL . 14.3 tt -153.63 144.28 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.099 0.476 . . . . 72.24 111.738 173.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.493 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 80.5 t -136.27 134.64 49.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-N 115.625 -0.716 . . . . 72.5 110.253 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.588 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.4 tt -136.46 111.43 8.89 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.928 -0.397 . . . . 75.2 109.928 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.45 ' OD1' HG23 ' A' ' 46' ' ' THR . 6.2 p-10 -130.62 126.05 35.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.187 0.517 . . . . 63.51 111.268 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -103.67 116.6 32.65 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.175 -0.466 . . . . 45.42 112.232 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.523 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -135.92 148.97 48.76 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.001 -0.545 . . . . 73.03 110.623 178.653 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.0 t70 64.81 14.65 9.33 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.361 0.6 . . . . 54.15 111.761 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.92 9.87 70.34 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 121.209 -0.519 . . . . 64.3 113.211 -177.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 mt -130.06 158.3 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 122.698 0.399 . . . . 75.03 109.945 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.474 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 45.5 p90 -128.46 145.57 51.06 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 122.054 -0.404 . . . . 61.41 111.299 178.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.524 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -116.97 106.18 13.13 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.214 0.53 . . . . 61.52 111.475 174.797 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.473 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 53.6 t -88.11 100.12 12.71 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.218 0.532 . . . . 55.11 111.225 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.493 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 27.9 m-80 -84.1 105.13 14.73 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.883 -0.598 . . . . 72.14 111.322 177.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.462 HD13 HG21 ' A' ' 26' ' ' ILE . 52.9 tp -98.71 132.55 44.0 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.999 0.37 . . . . 70.52 111.999 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.538 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.9 mmm -122.57 111.79 17.21 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.389 -0.369 . . . . 64.04 111.172 175.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.39 161.91 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 116.319 -0.4 . . . . 72.41 111.952 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -91.07 131.38 36.68 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.023 0.44 . . . . 75.32 111.971 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.98 147.56 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.921 0.391 . . . . 72.24 110.693 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -74.94 -19.99 59.88 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.093 0.775 . . . . 65.34 113.093 -176.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -163.84 165.63 22.7 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.96 0.409 . . . . 73.44 111.599 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.6 p -63.57 -26.9 68.9 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.058 0.392 . . . . 51.45 112.058 -176.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.18 -41.93 80.7 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.352 0.596 . . . . 71.03 109.666 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -57.98 -34.6 70.14 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.12 -0.946 . . . . 63.31 110.989 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.0 tp -71.38 -48.0 52.71 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.933 -0.576 . . . . 74.34 111.427 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.3 p -61.71 -29.49 70.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.999 0.428 . . . . 74.21 111.193 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 50.6 m -61.23 -47.9 83.94 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.151 0.5 . . . . 75.42 110.751 175.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.93 -36.73 75.25 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.068 -0.515 . . . . 75.32 111.499 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.4 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 62.6 mtt -55.13 -53.62 53.62 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.064 0.459 . . . . 64.14 110.922 175.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.66 -41.97 82.56 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.902 -0.59 . . . . 72.55 110.907 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 61' ' ' THR . 7.5 mtpm? -59.19 -40.02 84.39 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.138 -0.483 . . . . 75.54 111.444 177.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.9 mt -74.65 -29.44 61.26 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.262 0.554 . . . . 74.03 111.157 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.405 ' HE ' ' HB ' ' A' ' 75' ' ' VAL . 96.8 mtt180 -72.55 -6.52 44.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.011 -0.54 . . . . 74.13 111.997 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -71.97 -8.81 56.63 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.775 0.321 . . . . 74.24 111.152 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.5 t -93.68 111.19 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-O 120.987 0.422 . . . . 74.01 110.869 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -57.69 -28.93 64.25 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.69 0.626 . . . . 70.41 112.69 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.68 -16.09 73.91 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 121.183 -0.532 . . . . 53.43 113.87 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.3 t -93.1 134.27 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 117.405 0.603 . . . . 55.31 111.478 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.9 -13.8 11.94 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.366 0.506 . . . . 72.25 112.366 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.574 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -134.26 125.98 28.85 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.07 0.462 . . . . 71.21 111.424 174.592 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.405 ' HB ' ' HE ' ' A' ' 67' ' ' ARG . 35.0 t -130.89 104.02 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 108.925 -0.768 . . . . 64.14 108.925 170.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -124.93 156.7 37.58 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.019 -0.537 . . . . 75.32 112.298 -166.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -86.48 139.63 30.71 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.202 0.525 . . . . 64.31 111.445 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 9' ' ' ARG . 94.9 mt -89.57 108.23 19.54 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.891 -0.595 . . . . 63.4 110.233 173.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.3 p -75.51 -63.48 1.28 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.312 0.486 . . . . 73.24 112.312 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.68 119.25 25.03 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.984 0.421 . . . . 70.02 111.727 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt . . . . . 0 CA--C 1.541 0.623 0 CA-C-N 116.279 -0.419 . . . . 73.11 111.185 179.594 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.575 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 11.7 t70 . . . . . 0 N--CA 1.474 0.775 0 CA-C-O 120.727 0.299 . . . . 63.41 111.543 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' B' ' 6' ' ' ALA . 52.6 p90 -150.31 161.03 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.033 0.444 . . . . 73.31 111.412 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 48.5 tp -81.06 103.46 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.219 0.533 . . . . 74.41 110.79 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.419 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . . . -96.49 152.18 18.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.817 -0.629 . . . . 73.2 112.209 -177.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.53 144.8 15.34 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 116.155 -0.475 . . . . 41.32 113.163 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 51.3 mt -133.59 143.41 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 122.864 0.466 . . . . 52.1 110.471 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.511 ' HB2' HD21 ' B' ' 78' ' ' LEU . 40.1 ttt180 -118.11 131.91 56.39 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.988 -0.445 . . . . 63.41 111.172 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.506 HD11 HD13 ' B' ' 66' ' ' LEU . 37.1 mt -119.46 117.33 53.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.001 -0.545 . . . . 73.42 110.856 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.621 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 60.3 t -121.83 118.65 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.593 0.711 . . . . 73.32 111.119 176.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.0 169.65 26.13 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-N 115.213 -0.903 . . . . 63.15 112.055 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -64.42 132.57 50.43 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.139 0.495 . . . . 75.54 111.625 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -71.9 89.67 1.09 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.354 0.597 . . . . 75.03 111.221 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -105.09 164.03 12.12 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.408 0.623 . . . . 71.32 112.156 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -64.68 5.42 0.3 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.175 -0.92 . . . . 74.42 113.374 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.3 -7.65 0.47 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 120.745 -0.74 . . . . 51.32 113.839 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.484 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 60.9 mmm -70.75 -52.26 21.9 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.466 0.913 . . . . 73.22 113.466 -173.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 75.8 p -61.7 -30.03 70.48 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.946 -0.471 . . . . 74.12 111.63 -178.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -76.49 -47.97 21.07 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.964 0.412 . . . . 62.34 110.819 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.541 ' O ' HG23 ' B' ' 25' ' ' VAL . 19.0 pt20 -66.45 -36.08 81.88 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.347 -0.388 . . . . 71.21 111.684 -177.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.457 HG13 ' CZ ' ' B' ' 45' ' ' PHE . 12.0 mm -63.2 -53.61 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 112.398 0.518 . . . . 55.01 112.398 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 5.1 m -68.38 -27.31 66.12 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.218 0.532 . . . . 71.33 110.021 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.74 -46.34 94.4 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-N 116.051 -0.522 . . . . 74.24 112.589 171.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 21' ' ' GLN . 77.2 t -57.69 -45.65 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.252 0.548 . . . . 75.0 110.677 174.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.442 HG21 HD13 ' B' ' 49' ' ' LEU . 79.8 mt -60.08 -47.32 92.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-N 115.728 -0.669 . . . . 73.12 111.921 177.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' SER . . . . . 0.528 ' HA ' HD11 ' B' ' 33' ' ' ILE . 94.2 p -62.83 -24.48 67.8 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.233 0.457 . . . . 72.01 112.233 -176.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.54 14.77 25.38 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.365 0.505 . . . . 73.2 112.365 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -68.34 165.99 17.52 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.458 0.647 . . . . 75.54 111.465 173.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -92.96 7.85 42.3 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.552 -0.749 . . . . 73.54 111.703 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 t -111.22 159.8 17.56 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.895 0.379 . . . . 74.43 111.277 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASN . . . . . 0.435 ' O ' HG22 ' B' ' 51' ' ' ILE . 26.2 t-20 -86.85 120.77 28.49 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.993 0.425 . . . . 71.34 111.847 -176.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' B' ' 27' ' ' SER . 67.7 mt -67.67 111.16 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 121.174 0.512 . . . . 54.1 111.537 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.505 HH12 ' CG ' ' A' ' 14' ' ' ASP . 8.1 tpp180 -92.25 -34.92 14.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.893 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 67.5 m -158.67 132.66 7.75 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.308 -0.406 . . . . 74.11 110.852 174.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.51 HD11 ' SG ' ' B' ' 47' ' ' CYS . 11.2 tp -130.82 136.97 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 120.926 0.393 . . . . 71.44 110.779 174.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 58.5 t -133.18 140.42 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 116.283 -0.417 . . . . 74.25 110.381 176.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 35' ' ' THR . 9.9 tt -144.85 134.43 23.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 122.156 -0.34 . . . . 53.33 110.459 174.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -148.85 135.25 19.43 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.862 0.363 . . . . 63.24 111.242 172.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -99.68 123.88 44.37 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.3 -0.409 . . . . 45.5 111.427 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -141.58 144.59 34.32 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.065 -0.516 . . . . 65.42 111.138 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 63.24 13.85 7.28 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.499 0.555 . . . . 73.0 112.499 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.44 -2.62 65.3 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 121.061 -0.59 . . . . 73.31 112.644 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.433 HG22 ' H ' ' B' ' 45' ' ' PHE . 2.0 mt -116.97 178.63 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 123.437 0.695 . . . . 55.54 109.225 178.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.52 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 32.4 p90 -137.44 161.37 36.52 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.854 -0.529 . . . . 74.35 111.244 170.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 t -134.85 115.01 13.16 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.023 0.44 . . . . 75.44 111.088 174.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' B' ' 36' ' ' ILE . 46.3 t -108.11 120.14 41.48 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.286 -0.415 . . . . 75.25 111.29 178.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -103.0 111.63 24.06 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.773 0.321 . . . . 65.03 110.974 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.442 HD13 HG21 ' B' ' 26' ' ' ILE . 44.9 tp -99.06 132.53 44.3 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.053 0.454 . . . . 71.11 111.987 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.555 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 60.4 mmm -124.13 113.23 18.08 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.237 -0.438 . . . . 55.55 110.681 175.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.517 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -144.57 158.74 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.06 0.457 . . . . 72.45 111.755 -177.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -91.54 140.28 29.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.913 0.387 . . . . 73.02 111.57 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 8.9 m -139.66 140.89 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.489 -0.323 . . . . 74.1 110.258 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.471 ' NZ ' ' HB2' ' B' ' 54' ' ' LYS . 4.7 ttmp? -71.02 -36.25 72.34 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 111.994 0.368 . . . . 75.15 111.994 178.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.475 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 18.2 m120 -135.44 151.31 50.29 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.527 -0.306 . . . . 64.03 111.273 -177.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 64.9 p -61.08 -30.18 70.19 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.777 0.323 . . . . 73.34 111.353 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -62.01 -40.49 95.86 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.616 0.722 . . . . 64.3 110.183 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 45.3 tptt -58.04 -40.5 81.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.287 -0.869 . . . . 74.31 110.843 174.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.663 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 60.4 tp -68.37 -48.13 65.58 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.13 -0.486 . . . . 72.14 111.663 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 69.5 p -62.51 -34.96 77.92 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.053 0.454 . . . . 71.34 111.269 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.462 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 72.0 m -59.53 -40.72 88.1 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.239 -0.437 . . . . 63.22 111.279 175.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.09 -41.47 96.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.702 0.287 . . . . 73.23 111.306 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.663 ' HE3' ' HG ' ' B' ' 59' ' ' LEU . 50.5 mtt -55.67 -48.33 75.24 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.191 0.52 . . . . 72.42 110.275 175.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.9 -46.26 78.43 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.628 -0.715 . . . . 71.43 111.033 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 61' ' ' THR . 52.9 mtpt -58.24 -37.54 75.1 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.22 -0.446 . . . . 44.32 111.749 178.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.506 HD13 HD11 ' B' ' 10' ' ' ILE . 59.0 mt -76.05 -33.23 59.59 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.143 0.497 . . . . 43.13 111.785 178.221 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' B' ' 63' ' ' MET . 86.9 mtt180 -67.69 -8.16 32.9 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.651 0.612 . . . . 74.04 112.651 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -71.93 -13.7 61.72 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 111.808 0.299 . . . . 74.44 111.808 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.437 HG12 ' H ' ' B' ' 71' ' ' GLY . 54.0 t -86.98 117.26 30.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-O 120.99 0.424 . . . . 72.34 111.823 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.94 -23.0 63.19 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.93 0.715 . . . . 74.33 112.93 -177.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.484 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -76.68 -16.95 80.33 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 120.957 -0.64 . . . . 74.44 113.695 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.403 HG23 ' HE1' ' B' ' 18' ' ' MET . 58.8 t -97.42 141.85 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 117.227 0.514 . . . . 63.11 111.834 -178.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.4 -6.96 6.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.578 0.584 . . . . 73.53 112.578 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.621 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.6 p -136.0 118.41 15.74 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.902 0.382 . . . . 71.21 111.588 175.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.0 t -135.45 105.37 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.717 -0.475 . . . . 74.34 109.717 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -142.09 171.89 13.44 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.131 0.491 . . . . 71.41 111.897 -173.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -85.31 147.32 26.6 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.383 0.611 . . . . 75.31 112.132 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' B' ' 9' ' ' ARG . 96.0 mt -93.19 109.81 21.32 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.857 -0.61 . . . . 72.21 110.268 173.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 83.9 p -71.82 -68.78 0.43 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.488 0.551 . . . . 72.11 112.488 -174.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -88.67 106.63 18.46 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.011 0.434 . . . . 65.21 111.486 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 51.6 mt . . . . . 0 CA--C 1.539 0.533 0 CA-C-O 121.083 0.468 . . . . 64.34 111.577 -179.519 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.2 p90 . . . . . 0 C--O 1.235 0.3 0 CA-C-O 121.382 0.61 . . . . 74.13 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -82.03 102.61 11.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.737 -0.665 . . . . 70.23 110.234 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.46 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -94.17 134.73 36.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.915 -0.584 . . . . 71.54 112.007 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.13 145.48 16.6 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.19 -0.529 . . . . 74.25 112.607 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.428 HD12 HD23 ' A' ' 49' ' ' LEU . 27.9 mt -130.51 136.99 57.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 122.529 -0.395 . . . . 73.03 110.539 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' HB2' HD21 ' A' ' 78' ' ' LEU . 66.4 ttt180 -113.86 117.98 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 72.23 110.93 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.7 HD11 HD13 ' A' ' 66' ' ' LEU . 33.5 mt -109.65 117.03 53.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.472 . . . . 62.52 110.618 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.632 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 49.3 t -117.5 105.87 18.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.717 0.77 . . . . 74.12 111.011 174.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.08 162.37 21.87 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.1 -0.955 . . . . 74.22 112.175 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -76.97 126.78 31.54 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.393 0.616 . . . . 72.14 112.062 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -69.32 105.43 2.55 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.905 -0.589 . . . . 61.32 111.561 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -165.8 137.51 3.91 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.228 0.455 . . . . 73.44 112.228 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 59.69 14.69 4.2 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.973 1.101 . . . . 54.34 113.973 171.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.641 ' HA2' HD22 ' B' ' 32' ' ' ASN . . . 100.32 21.79 12.65 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.453 -0.88 . . . . 34.24 113.828 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.48 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 36.8 mmm -53.9 -48.76 69.81 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.901 0.382 . . . . 43.42 112.029 176.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.1 p -54.0 -41.78 68.32 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.119 0.485 . . . . 54.42 111.829 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.445 ' OD1' ' HA ' ' B' ' 27' ' ' SER . 56.5 t30 -76.56 -42.35 43.18 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.029 -0.532 . . . . 73.12 110.963 -175.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.2 pt20 -66.79 -33.86 76.55 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.885 0.374 . . . . 74.43 111.242 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 22' ' ' ILE . 7.1 mm -61.59 -53.01 54.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 112.183 0.438 . . . . 51.31 112.183 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 m -70.01 -27.56 64.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.328 0.585 . . . . 73.1 110.107 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.12 -33.78 81.11 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 115.879 -0.6 . . . . 73.4 112.546 170.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 21' ' ' GLN . 92.0 t -74.56 -35.53 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 121.012 0.435 . . . . 73.42 110.955 174.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.421 HG22 HD11 ' A' ' 33' ' ' ILE . 70.0 mt -61.41 -36.56 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 CA-C-O 120.996 0.427 . . . . 73.31 111.466 176.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.2 p -63.77 -20.6 65.89 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 122.123 -0.361 . . . . 72.41 111.651 176.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.532 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 11.5 mmpt? -71.65 -8.33 53.45 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 111.807 0.299 . . . . 54.34 111.807 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -74.83 159.97 31.26 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.737 1.014 . . . . 72.34 113.737 -172.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -85.8 -10.43 55.48 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.739 -1.119 . . . . 64.35 111.197 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 t -100.97 173.47 6.47 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.937 0.399 . . . . 75.44 111.781 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -106.1 121.48 44.24 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.789 0.328 . . . . 61.24 111.761 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 26' ' ' ILE . 59.8 mt -68.56 105.28 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 116.32 -0.4 . . . . 65.22 111.39 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.96 -21.03 25.1 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.844 -0.535 . . . . 64.32 110.968 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 90.5 m -158.07 131.91 7.9 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.009 -0.542 . . . . 72.34 110.839 175.219 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.679 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.8 tp -135.02 133.83 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.945 0.402 . . . . 62.24 110.303 173.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 95.7 t -127.82 136.43 60.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 116.081 -0.509 . . . . 72.3 110.261 176.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.633 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.2 tt -143.94 122.51 12.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.845 0.355 . . . . 65.14 110.092 175.275 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 4.1 p-10 -144.7 124.99 13.76 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.93 -0.577 . . . . 73.51 110.931 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.42 113.25 25.85 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.15 0.5 . . . . 74.21 112.164 -177.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.553 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -138.49 157.01 47.01 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.791 -0.64 . . . . 74.32 109.459 175.312 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.427 ' OD2' ' HG2' ' A' ' 41' ' ' LYS . 21.8 m-20 65.31 14.78 9.65 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.097 0.475 . . . . 72.32 110.856 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.98 9.96 86.56 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 121.383 -0.437 . . . . 73.11 112.54 -173.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.3 mt -128.63 154.75 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 122.921 0.488 . . . . 72.3 110.447 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 49.5 p90 -119.61 144.67 47.0 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.784 -0.573 . . . . 73.01 111.352 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 t -116.08 99.62 7.37 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.038 0.447 . . . . 74.01 111.095 174.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.679 ' SG ' HD11 ' A' ' 36' ' ' ILE . 42.4 t -87.02 111.19 20.63 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.008 0.432 . . . . 62.4 111.285 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.524 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 19.7 m-80 -97.8 106.97 19.36 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.094 -0.503 . . . . 72.35 111.112 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 8' ' ' ILE . 62.3 tp -98.91 133.26 43.45 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.885 0.374 . . . . 75.04 111.776 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.554 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 66.6 mmm -123.0 112.07 17.36 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.903 0.383 . . . . 73.31 111.075 175.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.81 158.91 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 116.199 -0.455 . . . . 44.55 111.542 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -90.21 139.24 30.83 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.991 0.424 . . . . 63.52 111.505 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.8 m -131.82 147.27 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 120.981 0.42 . . . . 65.4 111.363 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.497 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.5 ptmt -85.21 -14.2 47.57 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.092 -0.504 . . . . 72.35 112.316 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.497 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.7 p30 -164.71 167.79 18.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.097 0.475 . . . . 71.45 111.655 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.4 p -67.33 -36.8 82.18 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.397 0.518 . . . . 74.31 112.397 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.03 -33.37 75.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.729 0.776 . . . . 73.32 110.296 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 49.7 tptt -59.47 -47.12 86.7 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.38 -0.827 . . . . 74.02 110.819 172.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.46 HD13 ' HB1' ' A' ' 6' ' ' ALA . 54.7 tp -64.43 -47.93 77.23 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.038 -0.528 . . . . 63.13 111.693 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.7 p -61.5 -35.44 77.7 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 111.662 0.245 . . . . 72.52 111.662 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.9 m -63.24 -44.15 96.04 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.68 0.276 . . . . 72.15 111.127 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.8 mt -58.02 -46.18 85.71 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.937 0.399 . . . . 74.42 111.22 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.404 ' HG2' HG23 ' A' ' 8' ' ' ILE . 71.4 mtm -61.95 -33.54 74.47 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.387 -0.369 . . . . 71.43 111.48 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -69.1 -44.34 72.65 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.048 0.451 . . . . 74.22 110.551 174.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -54.55 -40.95 69.22 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.213 0.53 . . . . 65.42 111.327 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.7 HD13 HD11 ' A' ' 10' ' ' ILE . 59.4 mt -74.21 -33.25 63.32 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.883 -0.599 . . . . 73.3 111.535 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 67' ' ' ARG . 44.0 ttm105 -71.91 -6.44 41.94 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.966 -0.561 . . . . 64.2 111.972 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -70.82 -16.61 62.74 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 122.096 -0.377 . . . . 71.45 111.441 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.9 t -78.49 116.99 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.12 0.486 . . . . 74.01 111.47 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -57.45 -26.75 61.67 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.921 0.711 . . . . 62.53 112.921 -176.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.02 -11.35 85.27 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.864 -0.684 . . . . 31.43 113.442 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.4 t -93.14 144.11 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 O-C-N 122.199 -0.589 . . . . 75.25 111.178 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -128.43 -8.02 5.22 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.184 -0.462 . . . . 73.01 112.031 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.632 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.2 p -139.11 126.38 21.43 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.061 0.458 . . . . 65.33 111.335 173.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 t -136.32 103.47 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.945 -0.761 . . . . 73.4 108.945 171.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -124.41 154.38 40.51 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.491 0.552 . . . . 73.14 112.491 -169.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HG3' HD21 ' A' ' 59' ' ' LEU . 52.4 ttp85 -82.14 131.76 35.24 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.773 -0.649 . . . . 75.3 111.671 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' A' ' 9' ' ' ARG . 98.5 mt -95.58 105.37 17.35 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.972 0.415 . . . . 65.51 111.269 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.5 p -89.97 -38.73 13.44 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.033 0.444 . . . . 62.22 110.823 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -76.69 100.77 5.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.083 -0.508 . . . . 71.5 111.244 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 121.3 0.571 . . . . 63.53 111.951 -177.033 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 120.844 0.354 . . . . 72.44 111.622 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -151.06 154.55 37.22 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.042 0.449 . . . . 74.32 111.301 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.6 tp -79.07 103.14 8.81 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.968 -0.56 . . . . 74.32 110.535 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -96.27 133.22 40.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 40.52 112.136 -176.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.46 150.48 17.63 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.198 -0.525 . . . . 75.11 113.354 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 53.8 mt -135.78 128.24 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 122.563 0.345 . . . . 74.41 110.424 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.548 ' HB2' HD21 ' B' ' 78' ' ' LEU . 66.7 ttt180 -100.78 136.95 39.83 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.894 -0.504 . . . . 73.23 111.331 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.615 HD11 HD13 ' B' ' 66' ' ' LEU . 62.7 mt -126.05 117.96 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.862 -0.608 . . . . 74.03 110.973 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.647 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 43.1 t -118.02 112.96 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 121.591 0.71 . . . . 72.41 110.919 172.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.04 165.34 25.16 Favored Glycine 0 CA--C 1.522 0.478 0 CA-C-N 115.512 -0.767 . . . . 64.42 112.553 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -67.66 126.97 31.05 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.313 0.577 . . . . 71.25 111.828 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.95 94.39 0.63 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.201 0.524 . . . . 65.41 110.983 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -118.78 175.14 5.88 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.792 1.034 . . . . 74.3 113.792 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 67.31 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 113.188 -1.823 . . . . 72.22 113.361 175.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.39 -15.28 8.68 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.029 -0.605 . . . . 71.31 114.442 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.433 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 36.8 mmm -53.94 -50.67 65.92 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 117.601 0.701 . . . . 64.34 112.737 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.9 p -58.59 -36.54 74.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.257 0.551 . . . . 74.02 111.377 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -73.67 -40.76 63.45 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.904 -0.589 . . . . 75.34 110.868 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.486 ' O ' HG23 ' B' ' 25' ' ' VAL . 19.7 pt20 -73.82 -35.58 64.86 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.1 -0.5 . . . . 70.11 111.395 -178.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.435 HG13 ' HZ ' ' B' ' 45' ' ' PHE . 12.4 mm -62.08 -54.29 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 112.256 0.465 . . . . 73.24 112.256 -177.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -67.64 -27.33 66.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.47 0.652 . . . . 71.31 110.006 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.552 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -62.07 -48.51 82.68 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.752 -0.658 . . . . 71.33 112.591 172.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 21' ' ' GLN . 90.7 t -61.05 -37.59 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.889 0.376 . . . . 63.12 111.113 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.489 HG21 HD13 ' B' ' 49' ' ' LEU . 73.3 mt -58.24 -41.63 81.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-O 121.079 0.466 . . . . 74.32 111.34 175.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' SER . . . . . 0.445 ' HA ' ' OD1' ' A' ' 20' ' ' ASN . 6.2 m -59.89 -23.89 63.84 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.33 0.586 . . . . 65.43 111.233 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 43.1 mtpt -87.23 20.62 2.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.75 -0.659 . . . . 72.44 111.641 -175.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -92.64 164.76 13.28 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.411 0.624 . . . . 72.21 111.782 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.38 -23.97 54.13 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.597 -0.729 . . . . 74.14 111.345 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.1 t -91.28 178.71 5.9 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.653 -0.703 . . . . 73.15 112.457 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASN . . . . . 0.641 HD22 ' HA2' ' A' ' 17' ' ' GLY . 28.5 t-20 -106.39 125.21 50.72 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.256 -0.429 . . . . 74.24 111.476 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.464 ' HA ' HG22 ' B' ' 51' ' ' ILE . 62.1 mt -66.89 103.73 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 116.341 -0.39 . . . . 63.12 111.382 177.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -82.35 -32.57 29.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 72.11 110.603 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.592 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 69.7 m -153.89 132.48 12.17 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.951 -0.568 . . . . 53.13 110.987 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.633 HG22 ' HB3' ' A' ' 38' ' ' LEU . 10.7 tp -135.7 137.7 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 120.996 0.427 . . . . 73.14 110.822 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.485 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 84.7 t -133.35 141.57 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.141 -0.482 . . . . 64.15 110.611 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' A' ' 35' ' ' THR . 7.7 tt -145.4 131.87 19.74 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 122.109 -0.369 . . . . 64.51 110.194 174.175 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -149.61 148.9 29.88 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 120.838 0.351 . . . . 53.32 111.056 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.31 138.43 43.52 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.129 0.49 . . . . 73.04 110.434 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -126.9 -93.13 0.48 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.018 -0.537 . . . . 72.3 112.356 -170.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.55 44.68 0.99 Allowed 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 122.783 0.433 . . . . 72.35 111.501 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.64 18.58 77.34 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.58 -0.819 . . . . 62.11 111.422 -170.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.1 mt -135.31 147.78 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 123.642 0.777 . . . . 60.51 109.484 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 44.4 p90 -112.02 137.06 50.57 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.655 -0.418 . . . . 75.52 111.037 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.3 t -111.3 100.24 8.89 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.368 0.604 . . . . 75.12 111.341 174.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.544 ' SG ' HD11 ' B' ' 36' ' ' ILE . 48.4 t -91.11 131.34 36.74 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.077 -0.511 . . . . 74.33 111.907 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.485 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 29.2 m-80 -111.7 110.73 21.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 122.495 0.318 . . . . 75.32 110.888 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.489 HD13 HG21 ' B' ' 26' ' ' ILE . 46.5 tp -99.11 137.29 37.85 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.883 0.373 . . . . 71.31 111.875 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.535 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.3 mmm -131.67 112.3 12.44 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.254 -0.43 . . . . 75.34 111.275 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -138.76 160.77 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.349 -0.387 . . . . 63.4 111.612 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -93.56 137.47 32.81 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.977 0.417 . . . . 71.35 111.912 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.9 m -131.95 163.43 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 116.178 -0.464 . . . . 63.54 110.904 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -93.29 -16.89 24.24 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 111.765 0.284 . . . . 73.0 111.765 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -161.46 172.86 15.75 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.101 0.477 . . . . 72.4 111.811 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -74.61 -30.53 61.7 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.085 -0.507 . . . . 72.3 112.331 -177.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -63.58 -39.9 95.59 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.964 0.887 . . . . 63.52 109.76 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -59.88 -35.56 75.08 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.583 -1.189 . . . . 63.32 111.423 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.612 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 57.4 tp -76.67 -47.44 22.09 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.287 -0.415 . . . . 71.13 111.653 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 73.1 p -59.48 -32.12 69.97 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.935 0.398 . . . . 74.03 111.594 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 70.2 m -64.25 -42.42 96.51 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.256 -0.429 . . . . 73.24 111.747 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 64.7 mt -62.1 -37.32 84.66 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.69 0.281 . . . . 74.13 111.109 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.612 ' HE3' ' HG ' ' B' ' 59' ' ' LEU . 56.2 mtt -55.78 -50.93 69.11 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.104 0.478 . . . . 71.14 110.632 175.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.37 -43.2 96.81 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.784 -0.644 . . . . 60.13 111.008 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -56.54 -40.7 75.54 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.082 0.468 . . . . 74.5 111.551 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.615 HD13 HD11 ' B' ' 10' ' ' ILE . 65.9 mt -74.01 -35.02 64.37 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.163 -0.471 . . . . 72.52 111.747 178.153 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.448 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 95.2 mtt180 -68.71 -7.79 36.72 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.802 0.667 . . . . 73.51 112.802 -179.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -72.61 -13.3 61.35 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.102 -0.374 . . . . 73.12 111.467 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 40.8 t -86.44 108.54 17.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.301 0.572 . . . . 64.11 111.336 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -34.43 9.14 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.311 -0.859 . . . . 64.51 113.082 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.5 -20.52 73.77 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.134 -0.555 . . . . 74.4 113.927 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.44 HG11 HG23 ' B' ' 10' ' ' ILE . 93.5 t -99.29 134.09 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 122.358 -0.495 . . . . 73.35 111.484 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -117.06 -7.62 11.3 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.709 0.633 . . . . 74.23 112.709 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.647 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 8.8 p -136.31 121.46 19.03 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.95 0.405 . . . . 62.43 111.572 175.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.448 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 43.6 t -135.39 104.64 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.558 -0.534 . . . . 71.04 109.558 171.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -128.71 168.82 15.26 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.179 0.514 . . . . 70.04 112.328 -170.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -86.71 139.57 30.63 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.042 -0.526 . . . . 73.45 112.315 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' B' ' 9' ' ' ARG . 96.2 mt -108.47 96.64 6.49 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.071 -0.513 . . . . 72.33 110.788 174.139 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 71.6 m -96.85 -22.01 17.16 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.005 0.431 . . . . 64.43 111.41 175.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -86.13 81.99 8.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.066 0.46 . . . . 70.33 110.286 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 112.733 0.642 . . . . 60.51 112.733 -172.563 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.7 p90 . . . . . 0 N--CA 1.468 0.434 0 CA-C-O 120.832 0.349 . . . . 74.53 111.074 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.65 105.64 12.05 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.25 0.548 . . . . 53.4 110.713 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.56 149.44 24.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.817 -0.629 . . . . 63.42 111.898 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.42 148.07 16.73 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.334 -0.46 . . . . 75.22 113.117 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.3 mt -134.36 139.64 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.687 0.395 . . . . 40.32 110.422 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' HB3' ' HG3' ' A' ' 76' ' ' GLU . 35.3 ttm180 -117.42 120.9 39.56 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.278 0.561 . . . . 72.51 111.351 177.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.604 HD11 HD13 ' A' ' 66' ' ' LEU . 53.1 mt -110.77 118.9 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.605 -0.725 . . . . 74.23 111.588 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.599 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 74.8 t -125.17 121.23 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.458 0.647 . . . . 71.32 111.102 174.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.44 168.18 29.1 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 115.655 -0.702 . . . . 70.41 112.521 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.39 129.93 41.82 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.251 0.548 . . . . 72.43 111.37 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -74.62 103.15 4.81 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.161 -0.472 . . . . 74.2 111.516 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.53 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 10.1 mmmm -112.78 -177.89 3.26 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.971 0.891 . . . . 75.03 112.616 -177.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -50.14 -27.93 6.57 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.269 -1.332 . . . . 74.35 114.019 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.33 23.61 0.86 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 119.97 -1.11 . . . . 44.21 114.822 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.53 ' HG2' ' HB2' ' A' ' 15' ' ' LYS . 74.4 mmm -70.07 -51.34 32.72 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 117.715 0.757 . . . . 70.34 112.191 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.0 p -57.86 -37.24 73.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.938 0.399 . . . . 73.12 111.812 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -76.38 -46.86 25.44 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.241 -0.436 . . . . 75.21 110.743 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.1 pt20 -65.03 -36.14 83.42 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.708 0.29 . . . . 64.33 111.633 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.437 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 10.8 mm -64.48 -53.56 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.043 0.386 . . . . 73.12 112.043 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.8 m -68.99 -27.7 65.94 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.094 0.473 . . . . 63.31 110.39 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.02 -49.32 68.03 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 116.206 -0.452 . . . . 62.15 112.339 173.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 21' ' ' GLN . 77.1 t -56.8 -39.35 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.208 0.528 . . . . 74.01 110.682 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.462 HG21 HD13 ' A' ' 49' ' ' LEU . 73.4 mt -63.49 -46.21 95.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 115.905 -0.589 . . . . 64.31 111.705 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.0 p -65.86 -22.42 66.53 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 111.984 0.364 . . . . 71.54 111.984 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -97.4 24.02 6.98 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.909 0.385 . . . . 73.44 111.338 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -78.49 -174.58 3.88 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.494 0.664 . . . . 74.44 111.351 171.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -91.44 -40.83 11.2 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.368 -0.833 . . . . 72.25 111.727 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 t -76.85 173.45 11.7 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.029 -0.532 . . . . 63.12 112.332 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.535 ' OD1' ' HB2' ' B' ' 20' ' ' ASN . 62.0 t30 -110.13 142.52 41.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.136 0.493 . . . . 72.11 111.631 -176.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -75.08 115.48 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.775 -0.648 . . . . 73.51 112.199 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 12.4 mmt180 -92.04 -33.14 14.93 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.149 0.5 . . . . 64.34 110.885 174.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 12.3 m -157.39 144.48 18.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.938 -0.573 . . . . 75.32 109.937 175.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 17.8 tt -152.41 131.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.942 0.401 . . . . 74.01 111.08 171.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.567 HG22 HG13 ' B' ' 37' ' ' VAL . 93.7 t -131.06 106.18 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.128 -0.487 . . . . 73.11 111.197 -176.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.585 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.3 tt -118.64 121.81 41.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.59 -0.277 . . . . 71.41 110.973 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -143.01 141.85 31.45 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 120.874 0.368 . . . . 70.51 111.344 173.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.575 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -109.88 129.37 55.66 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.4 0.519 . . . . 75.05 112.4 -176.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.38 162.21 40.86 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.797 -0.638 . . . . 64.31 110.268 178.05 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 63.53 15.58 8.94 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.689 0.396 . . . . 60.55 111.695 -177.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.36 4.27 90.24 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.007 -0.615 . . . . 73.45 112.276 -174.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.44 170.68 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 109.538 -0.542 . . . . 75.22 109.538 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 21.4 p90 -131.94 150.74 52.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.1 -0.375 . . . . 75.55 110.676 172.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 3.8 t -132.71 121.53 23.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 74.42 111.251 176.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.8 t -119.8 119.76 34.53 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.107 -0.497 . . . . 74.52 111.48 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.9 m-20 -98.37 115.27 28.11 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 120.77 0.319 . . . . 61.24 110.848 176.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.462 HD13 HG21 ' A' ' 26' ' ' ILE . 50.1 tp -98.73 128.79 45.1 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.436 -0.347 . . . . 42.24 111.423 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.446 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 70.5 mmm -120.44 110.27 16.3 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.393 -0.367 . . . . 71.13 110.996 178.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 32' ' ' ASN . 2.3 pp -143.0 162.19 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 116.177 -0.465 . . . . 75.33 111.789 -175.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -90.79 136.94 32.74 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.747 0.308 . . . . 74.44 111.479 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 m -129.58 142.72 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 120.867 0.365 . . . . 70.4 111.533 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.619 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 18.5 ptpt -68.75 -20.84 64.39 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.632 0.604 . . . . 73.45 112.632 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.619 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.0 p30 -166.19 168.48 15.25 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.1 0.476 . . . . 75.23 111.907 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.2 p -63.61 -32.26 73.68 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.207 -0.451 . . . . 72.15 112.061 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' HB3' ' OD1' ' A' ' 55' ' ' ASN . 21.4 t70 -65.04 -40.97 95.59 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.499 0.666 . . . . 71.55 109.806 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -60.02 -30.99 69.53 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.351 -0.84 . . . . 63.03 111.348 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.401 HD21 ' HG3' ' A' ' 77' ' ' ARG . 51.6 tp -76.47 -48.62 18.96 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.347 -0.388 . . . . 74.04 111.811 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.445 ' HA ' ' HG3' ' A' ' 63' ' ' MET . 5.1 t -68.3 -28.58 67.3 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.979 0.419 . . . . 54.44 111.65 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.8 m -59.0 -40.74 85.83 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.915 0.388 . . . . 74.52 110.997 172.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.79 -34.98 78.39 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.336 -0.227 . . . . 63.13 111.245 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.445 ' HG3' ' HA ' ' A' ' 60' ' ' THR . 50.7 mtt -54.25 -51.78 63.43 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.955 0.407 . . . . 73.12 110.3 175.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 33.1 t70 -52.29 -51.8 56.51 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.9 -0.591 . . . . 61.53 111.474 178.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -53.43 -37.32 62.46 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.757 -0.656 . . . . 70.43 111.82 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.604 HD13 HD11 ' A' ' 10' ' ' ILE . 52.4 mt -81.71 -28.38 33.47 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.049 0.452 . . . . 74.21 111.676 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 63' ' ' MET . 92.1 mtt180 -75.38 -7.47 54.12 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.419 -0.355 . . . . 74.31 111.752 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 2.3 mmmp? -72.28 -8.13 53.19 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.81 0.338 . . . . 54.2 111.734 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 71' ' ' GLY . 46.5 t -92.25 114.94 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 121.145 0.498 . . . . 74.31 111.393 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -56.0 -23.23 31.55 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.958 0.725 . . . . 75.33 112.958 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.447 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -80.88 -17.01 73.65 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 120.893 -0.67 . . . . 53.04 113.921 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.9 t -96.33 126.3 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 117.674 0.737 . . . . 65.34 111.772 -178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.27 -12.61 15.04 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.56 0.578 . . . . 72.4 112.56 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.599 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.8 p -131.72 117.94 19.29 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.324 0.583 . . . . 72.52 111.75 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.9 t -130.27 104.87 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.143 -0.688 . . . . 61.41 109.143 169.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG3' ' HB3' ' A' ' 9' ' ' ARG . 8.2 pt-20 -130.14 162.0 29.83 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.795 0.665 . . . . 72.35 112.795 -167.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.401 ' HG3' HD21 ' A' ' 59' ' ' LEU . 42.3 ttp180 -91.63 130.48 37.43 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.674 -0.693 . . . . 71.43 112.048 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.6 mt -96.15 107.66 20.01 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.266 -0.425 . . . . 72.41 111.332 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.6 t -87.69 -47.74 8.42 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.006 0.432 . . . . 64.34 110.785 176.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -75.34 124.96 28.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.42 -0.355 . . . . 72.21 110.244 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.1 mt . . . . . 0 CA--C 1.532 0.26 0 CA-C-O 121.069 0.462 . . . . 74.54 110.775 -173.075 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 CA--C 1.544 0.746 0 CA-C-O 121.223 0.535 . . . . 73.21 112.264 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -154.75 163.68 39.9 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.35 -0.386 . . . . 61.14 111.081 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -86.09 108.48 18.3 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.913 0.387 . . . . 72.13 111.299 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.465 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -97.4 146.16 25.46 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.175 -0.466 . . . . 61.42 111.83 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.47 142.94 14.4 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 121.225 -0.512 . . . . 61.45 113.208 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mt -132.5 146.45 32.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 122.814 0.446 . . . . 55.54 110.458 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -126.83 130.68 50.72 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.177 -0.327 . . . . 73.13 110.877 173.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.564 HD11 HD13 ' B' ' 66' ' ' LEU . 25.9 mt -118.07 116.63 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 116.364 -0.38 . . . . 53.21 111.464 -177.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.602 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 87.0 t -117.43 113.43 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.637 0.732 . . . . 65.11 111.133 175.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.64 169.68 23.71 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 115.378 -0.828 . . . . 41.35 112.176 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -66.68 137.12 56.46 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.334 0.588 . . . . 62.43 111.824 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -74.09 93.4 2.27 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.749 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.621 ' HB2' ' HG3' ' B' ' 18' ' ' MET . 8.6 mmmm -97.1 -177.84 3.99 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.513 0.931 . . . . 64.23 113.513 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -31.37 -44.78 0.07 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 113.556 -1.656 . . . . 63.23 113.146 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.56 28.54 0.29 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 121.028 -0.606 . . . . 71.45 113.279 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.621 ' HG3' ' HB2' ' B' ' 15' ' ' LYS . 38.7 mtp -61.61 -43.98 97.84 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.396 -0.473 . . . . 71.35 112.249 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 47.2 p -55.64 -39.02 70.31 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.976 0.417 . . . . 73.22 111.896 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.535 ' HB2' ' OD1' ' A' ' 32' ' ' ASN . 36.0 t-20 -75.4 -47.06 29.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.934 0.397 . . . . 70.45 111.194 -178.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.554 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 17.1 pt20 -64.52 -38.72 92.0 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.576 -0.284 . . . . 70.3 111.391 -178.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' B' ' 22' ' ' ILE . 9.2 mm -56.89 -53.51 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.722 0.296 . . . . 62.42 111.704 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 9.4 m -72.26 -28.08 62.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.424 0.63 . . . . 54.22 110.428 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.27 -35.8 92.56 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 115.878 -0.601 . . . . 72.32 113.128 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.17 -35.63 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 122.397 -0.472 . . . . 74.15 111.039 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.513 HG21 HD13 ' B' ' 49' ' ' LEU . 62.3 mt -56.12 -42.72 73.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.906 0.384 . . . . 71.32 111.508 175.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 91.8 p -61.53 -21.11 63.97 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.882 0.372 . . . . 71.32 111.431 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -87.63 9.34 21.65 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.252 0.464 . . . . 71.21 112.252 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -78.4 174.99 10.7 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.644 0.735 . . . . 64.45 112.145 178.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.45 13.99 22.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.412 -0.813 . . . . 64.24 111.097 -177.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' THR . . . . . 0.483 HG21 HD13 ' B' ' 51' ' ' ILE . 4.6 t -135.24 169.42 17.5 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.966 0.413 . . . . 65.4 112.01 -174.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASN . . . . . 0.408 ' O ' HG22 ' B' ' 51' ' ' ILE . 49.9 m-80 -97.4 120.01 36.99 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.561 0.578 . . . . 75.23 112.561 -174.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 59.8 mt -63.51 95.98 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 115.88 -0.6 . . . . 74.33 111.359 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -77.5 -28.23 52.08 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.228 0.537 . . . . 73.11 111.306 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 69.3 m -156.43 132.16 9.6 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.859 -0.61 . . . . 64.14 110.447 175.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.778 HD11 ' SG ' ' B' ' 47' ' ' CYS . 10.6 tp -135.33 120.87 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 120.9 0.381 . . . . 75.54 110.321 175.172 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.567 HG13 HG22 ' A' ' 37' ' ' VAL . 67.7 t -127.9 103.29 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.063 0.459 . . . . 74.02 111.221 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' A' ' 35' ' ' THR . 8.2 tt -110.8 119.44 39.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.462 -0.336 . . . . 74.42 110.149 177.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -123.22 128.14 49.59 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.094 0.473 . . . . 71.33 110.539 172.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -104.48 117.62 34.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 63.21 110.932 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.441 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -134.21 136.53 43.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.032 0.444 . . . . 50.3 111.343 -177.116 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 t70 38.63 69.54 0.26 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.23 1.012 . . . . 75.35 113.365 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.32 -4.7 24.64 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.048 0.779 . . . . 64.21 115.048 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.03 169.3 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 118.065 0.932 . . . . 54.34 111.002 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.546 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 45.0 p90 -140.06 163.08 33.65 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.794 0.33 . . . . 75.42 111.087 173.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.567 ' HB ' HG22 ' B' ' 11' ' ' VAL . 3.7 t -137.23 117.14 13.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.932 0.396 . . . . 73.32 111.136 171.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.778 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.4 t -100.83 113.24 25.99 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.035 -0.53 . . . . 51.43 111.036 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -97.6 107.63 20.17 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.383 -0.371 . . . . 75.22 111.135 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.513 HD13 HG21 ' B' ' 26' ' ' ILE . 52.5 tp -98.67 133.1 43.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.994 0.425 . . . . 63.34 112.042 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.535 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.4 mmm -125.73 111.41 14.89 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.425 -0.352 . . . . 65.34 110.975 175.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.483 HD13 HG21 ' B' ' 31' ' ' THR . 2.6 pp -140.34 159.09 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 120.832 0.349 . . . . 64.43 111.793 -176.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -90.2 137.57 32.24 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.881 0.372 . . . . 70.33 111.567 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 11.8 m -131.32 148.44 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 116.134 -0.484 . . . . 71.33 111.015 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.491 ' H ' ' HD2' ' B' ' 54' ' ' LYS . 0.0 OUTLIER -80.51 -23.18 40.26 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.439 0.638 . . . . 71.3 110.559 177.576 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -154.17 164.09 39.07 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.417 -0.81 . . . . 71.14 111.305 -173.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -72.55 -28.34 62.77 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.057 0.392 . . . . 71.15 112.057 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.48 -42.27 82.3 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.159 0.504 . . . . 64.11 110.764 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.31 -50.8 70.4 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.977 -0.556 . . . . 70.23 110.714 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.465 HD13 ' HB1' ' B' ' 6' ' ' ALA . 49.6 tp -58.94 -46.85 87.0 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.94 -0.573 . . . . 74.23 111.643 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 51.2 p -66.68 -27.63 67.81 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.127 0.417 . . . . 62.3 112.127 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 88.3 m -73.16 -41.4 63.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.873 0.368 . . . . 73.11 110.861 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 86.5 mt -58.28 -36.56 73.49 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.848 0.356 . . . . 72.41 111.333 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.451 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 65.6 mtt -52.29 -53.67 41.2 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.189 -0.46 . . . . 50.43 110.86 175.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -54.99 -51.85 64.93 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.142 -0.481 . . . . 70.13 110.989 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -51.74 -34.42 39.07 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.761 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.564 HD13 HD11 ' B' ' 10' ' ' ILE . 44.2 mt -82.84 -30.0 29.01 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.133 0.492 . . . . 74.05 111.644 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.46 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 97.1 mtt180 -76.45 -7.06 54.3 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.411 0.523 . . . . 74.04 112.411 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -70.48 -19.22 62.96 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.757 0.313 . . . . 72.34 110.84 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.7 t -81.92 107.77 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-O 120.95 0.405 . . . . 72.14 110.11 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -63.29 -13.21 35.9 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.558 0.577 . . . . 64.31 112.558 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.99 -22.83 70.58 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.361 -0.447 . . . . 22.11 113.373 175.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -86.34 137.85 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 122.328 -0.513 . . . . 70.35 110.93 177.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.5 -20.54 11.24 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.477 0.547 . . . . 75.32 112.477 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.602 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.8 p -129.76 124.25 32.99 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.175 0.512 . . . . 74.45 112.021 178.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.46 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 47.9 t -135.35 104.26 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 109.138 -0.69 . . . . 44.03 109.138 171.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -123.27 164.52 18.61 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.935 0.717 . . . . 74.3 112.935 -168.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -94.53 126.32 39.74 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.696 -0.684 . . . . 53.34 111.24 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.29 115.37 22.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.818 0.342 . . . . 74.31 111.283 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 43.3 t -86.1 -62.99 1.39 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.024 0.44 . . . . 65.35 111.396 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -73.82 105.9 5.31 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.947 0.403 . . . . 75.54 110.594 177.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 49.8 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.295 0.569 . . . . 72.52 112.025 -176.656 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.401 ' HZ ' ' HA ' ' A' ' 56' ' ' THR . 54.0 p90 . . . . . 0 C--O 1.236 0.378 0 CA-C-O 121.156 0.503 . . . . 73.51 110.873 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 tp -79.99 105.18 11.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.445 0.64 . . . . 74.25 110.806 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.54 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -93.88 129.95 40.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.504 -0.771 . . . . 51.42 111.898 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' HA3' ' HB2' ' A' ' 78' ' ' LEU . . . -111.16 149.3 17.89 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 121.289 -0.481 . . . . 45.2 112.725 177.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.632 HD12 HD23 ' A' ' 49' ' ' LEU . 38.2 mt -134.3 137.93 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.853 0.326 . . . . 55.43 111.164 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.484 ' HB2' HD21 ' A' ' 78' ' ' LEU . 33.0 ttt180 -114.14 122.68 47.58 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.713 -0.221 . . . . 73.42 110.899 176.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.708 HD11 HD13 ' A' ' 66' ' ' LEU . 24.4 mt -118.46 116.85 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 116.682 -0.235 . . . . 65.22 111.114 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.532 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 87.9 t -119.15 118.1 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 121.518 0.675 . . . . 53.21 111.668 176.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.26 165.61 25.97 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 115.488 -0.778 . . . . 54.11 112.203 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -71.68 138.79 48.86 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 121.206 0.527 . . . . 73.14 112.362 -177.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.1 90.26 0.09 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.121 -0.49 . . . . 64.33 111.872 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.639 ' HB2' ' HG3' ' A' ' 18' ' ' MET . 10.5 mmmm -96.53 -177.52 3.96 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.712 0.768 . . . . 74.35 112.14 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -42.82 -29.49 0.32 Allowed 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.387 1.254 . . . . 74.3 114.387 178.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.12 42.28 0.16 Allowed Glycine 0 CA--C 1.529 0.962 0 C-N-CA 120.198 -1.001 . . . . 41.41 114.341 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.639 ' HG3' ' HB2' ' A' ' 15' ' ' LYS . 45.5 mtp -68.62 -37.29 79.64 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.928 -0.748 . . . . 73.21 112.401 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 p -60.81 -35.93 77.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.778 0.323 . . . . 70.44 111.328 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -69.02 -48.73 62.26 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.139 0.495 . . . . 75.22 110.72 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.514 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.8 pt20 -66.03 -36.26 82.76 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.074 -0.512 . . . . 72.41 111.552 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.443 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 11.4 mm -63.07 -52.96 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 111.703 0.26 . . . . 74.1 111.703 -178.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.5 m -71.4 -27.03 63.03 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.157 0.503 . . . . 75.25 110.205 176.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.99 -44.35 97.29 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-N 116.117 -0.492 . . . . 50.32 112.568 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 21' ' ' GLN . 88.7 t -62.86 -34.62 67.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 122.24 -0.565 . . . . 73.24 110.445 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.462 HG22 HD11 ' A' ' 33' ' ' ILE . 73.7 mt -65.93 -39.04 83.5 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.084 -0.507 . . . . 73.42 111.49 175.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.6 p -68.79 -20.56 64.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.269 0.557 . . . . 72.25 110.74 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HD2' ' HA ' ' A' ' 25' ' ' VAL . 62.7 mttm -73.58 -16.66 61.24 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.993 -0.548 . . . . 61.31 111.796 174.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -66.06 147.85 52.71 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.388 0.613 . . . . 65.52 112.269 -178.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -72.48 -22.88 60.99 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.728 -0.669 . . . . 72.14 111.361 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.9 t -83.16 161.36 21.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.357 -0.383 . . . . 72.12 110.769 175.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.627 ' HA ' HD22 ' B' ' 20' ' ' ASN . 2.7 m120 -106.97 137.25 45.39 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.377 0.608 . . . . 64.11 112.44 -178.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.462 HD11 HG22 ' A' ' 26' ' ' ILE . 3.0 mp -61.7 109.26 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.203 -0.908 . . . . 64.22 111.502 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 34' ' ' ARG . 10.7 mmt180 -82.6 -37.75 24.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.613 0.72 . . . . 73.32 109.904 175.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.571 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 13.3 m -155.49 145.34 21.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.159 -0.928 . . . . 54.42 109.417 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.404 HD12 HD13 ' A' ' 49' ' ' LEU . 18.1 tt -154.13 133.62 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.199 0.523 . . . . 65.01 111.996 174.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.441 HG13 HG22 ' B' ' 37' ' ' VAL . 60.4 t -132.87 104.58 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.904 -0.589 . . . . 62.44 111.022 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.646 ' HB3' HG22 ' B' ' 36' ' ' ILE . 6.5 tt -105.36 116.59 32.2 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.209 -0.663 . . . . 53.14 109.209 175.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -132.18 125.38 31.06 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.234 0.54 . . . . 73.15 111.562 177.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.575 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.31 135.51 41.64 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.714 -0.675 . . . . 74.14 111.845 -178.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.653 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -113.59 -137.08 0.37 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.626 -0.715 . . . . 62.32 110.814 -178.699 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.48 87.0 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.6 0.593 . . . . 75.25 112.6 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.93 2.82 48.59 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 114.754 0.662 . . . . 41.44 114.754 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.602 ' HB ' ' HE3' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -136.87 161.01 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 117.535 0.668 . . . . 74.11 110.617 179.11 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 42.3 p90 -131.61 150.97 51.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.719 0.295 . . . . 74.23 111.205 176.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 3.2 t -124.17 113.65 18.61 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.041 0.448 . . . . 73.43 110.54 172.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.421 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 52.4 t -93.5 105.24 17.32 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.103 -0.499 . . . . 45.2 111.285 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -89.11 105.27 17.68 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.556 -0.293 . . . . 51.33 110.858 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.632 HD23 HD12 ' A' ' 8' ' ' ILE . 55.6 tp -99.04 134.37 41.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.767 0.318 . . . . 75.32 111.841 -179.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.571 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 67.5 mmm -127.08 112.92 15.75 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.781 0.324 . . . . 74.01 111.318 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 32' ' ' ASN . 2.5 pp -141.88 161.72 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-N 116.421 -0.354 . . . . 70.51 111.427 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -95.56 133.42 39.61 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.127 0.489 . . . . 73.32 112.036 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.6 m -131.3 142.98 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 116.081 -0.508 . . . . 74.03 111.006 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.635 ' H ' ' HD3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -86.41 -12.24 49.71 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.759 0.314 . . . . 74.01 111.84 174.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.52 ' HB2' ' HB3' ' A' ' 58' ' ' LYS . 11.9 m120 -133.14 140.94 47.88 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 122.02 -0.425 . . . . 61.34 111.684 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.401 ' HA ' ' HZ ' ' A' ' 4' ' ' PHE . 69.8 p -64.13 -39.13 93.37 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.469 0.652 . . . . 75.25 110.399 171.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.71 -41.73 95.8 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.33 -0.85 . . . . 64.1 110.484 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 55' ' ' ASN . 40.5 tptt -57.34 -33.15 67.45 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.271 -0.877 . . . . 74.33 111.322 175.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.54 HD13 ' HB1' ' A' ' 6' ' ' ALA . 40.4 tp -72.7 -47.82 43.97 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 120.699 0.285 . . . . 62.32 111.694 175.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -58.53 -32.98 69.37 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.734 0.302 . . . . 63.33 110.963 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.547 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 91.6 m -56.04 -45.56 79.16 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.212 -0.449 . . . . 53.43 111.248 175.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.37 -48.39 78.11 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.384 -0.371 . . . . 74.22 111.594 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.496 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 75.9 mtm -57.83 -39.16 76.99 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.757 0.313 . . . . 73.34 111.115 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.45 -45.95 90.13 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.963 0.411 . . . . 65.24 110.929 174.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 61' ' ' THR . 29.8 mtpp -57.43 -36.86 71.9 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.082 -0.508 . . . . 71.22 111.498 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.708 HD13 HD11 ' A' ' 10' ' ' ILE . 42.4 mt -77.22 -27.96 53.59 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.161 -0.472 . . . . 54.04 111.9 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 63' ' ' MET . 98.4 mtt180 -71.47 -7.28 46.41 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.277 0.473 . . . . 62.14 112.277 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -72.69 -10.06 59.35 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 111.868 0.322 . . . . 75.31 111.868 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.2 t -85.52 113.53 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.174 0.511 . . . . 74.23 111.735 -177.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -54.97 -30.57 59.42 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.084 0.772 . . . . 74.43 113.084 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.27 -17.27 79.64 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.103 -0.57 . . . . 73.3 113.989 -177.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 99.6 t -86.58 146.7 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 117.294 0.547 . . . . 64.35 111.304 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -125.57 -15.38 6.09 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.613 0.598 . . . . 74.52 112.613 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.532 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 2.9 p -130.97 122.98 27.84 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.12 0.486 . . . . 60.24 111.618 175.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.412 ' HB ' ' HE ' ' A' ' 67' ' ' ARG . 41.0 t -137.18 104.91 3.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 109.453 -0.573 . . . . 72.41 109.453 172.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.409 ' HG3' ' HB3' ' A' ' 9' ' ' ARG . 10.9 pt-20 -134.87 163.35 30.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.202 -0.454 . . . . 60.1 111.862 -171.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -85.01 145.0 27.92 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.329 0.585 . . . . 74.03 112.22 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 9' ' ' ARG . 93.6 mt -100.54 111.53 23.79 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.923 -0.581 . . . . 75.54 110.537 172.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.6 p -92.81 -58.76 2.24 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.051 0.453 . . . . 54.21 111.86 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -69.73 100.66 1.53 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.287 0.565 . . . . 74.4 111.908 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.6 mt . . . . . 0 CA--C 1.539 0.55 0 CA-C-N 116.069 -0.514 . . . . 74.43 111.571 -178.71 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.506 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 2.1 p-10 . . . . . 0 CA--C 1.541 0.626 0 CA-C-O 121.124 0.488 . . . . 72.15 112.043 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.404 ' HE1' HH12 ' B' ' 77' ' ' ARG . 52.0 p90 -131.4 158.63 40.26 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.608 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 50.5 tp -77.55 105.14 8.51 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.216 0.531 . . . . 62.45 111.067 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.17 133.28 47.29 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.069 -0.514 . . . . 72.5 111.831 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.02 144.26 15.86 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.018 -0.61 . . . . 61.14 113.095 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.499 HD12 HD23 ' B' ' 49' ' ' LEU . 37.3 mt -125.93 142.01 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 122.451 0.3 . . . . 63.14 110.401 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.499 ' HB3' ' HG3' ' B' ' 76' ' ' GLU . 0.0 OUTLIER -120.64 118.24 29.63 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.907 0.384 . . . . 75.34 110.252 -177.163 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.546 ' O ' ' HA ' ' B' ' 46' ' ' THR . 40.3 mt -115.65 117.61 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 116.344 -0.389 . . . . 72.42 111.544 -176.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.553 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 53.6 t -117.55 109.89 29.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.453 0.644 . . . . 74.4 110.605 172.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.86 161.58 23.78 Favored Glycine 0 CA--C 1.522 0.49 0 CA-C-N 115.575 -0.738 . . . . 51.45 112.258 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -69.68 143.3 53.2 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.391 0.615 . . . . 73.44 112.205 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.35 91.02 0.53 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.952 -0.567 . . . . 74.03 111.435 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.56 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 23.8 mmtm -89.69 -178.94 5.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.607 0.718 . . . . 62.32 111.957 170.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -66.79 -21.29 66.05 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.953 -1.021 . . . . 74.35 112.288 178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.453 ' HA2' ' ND2' ' A' ' 32' ' ' ASN . . . -151.86 26.42 0.92 Allowed Glycine 0 CA--C 1.529 0.943 0 C-N-CA 120.559 -0.829 . . . . 60.43 114.28 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.56 ' HG2' ' HB2' ' B' ' 15' ' ' LYS . 38.7 mmm -74.33 -50.19 19.82 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.942 -0.74 . . . . 74.34 112.267 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.0 p -55.2 -39.7 69.93 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.941 0.401 . . . . 55.5 111.777 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.627 HD22 ' HA ' ' A' ' 32' ' ' ASN . 9.8 t-20 -76.04 -44.81 37.43 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.883 0.373 . . . . 73.25 110.957 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 7.9 pt20 -65.77 -34.63 78.61 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.681 0.277 . . . . 63.41 111.66 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' B' ' 22' ' ' ILE . 9.4 mm -64.96 -53.56 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 111.916 0.339 . . . . 71.34 111.916 -178.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.6 m -70.88 -27.3 63.72 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.099 0.476 . . . . 64.22 110.418 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.486 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.41 -52.46 53.07 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 116.071 -0.513 . . . . 75.03 112.303 171.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 50.1 t -56.38 -40.47 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.041 0.448 . . . . 64.42 110.967 174.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.401 HG21 HD13 ' B' ' 49' ' ' LEU . 71.1 mt -59.53 -46.36 93.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 115.997 -0.547 . . . . 72.23 112.193 177.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 89.7 p -63.01 -22.26 66.73 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 120.911 0.386 . . . . 51.3 111.544 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.556 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 7.6 mtpm? -73.32 -13.8 61.18 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.279 0.474 . . . . 65.54 112.279 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -66.47 154.78 39.36 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.599 0.714 . . . . 75.23 112.741 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -67.65 -37.12 81.97 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.101 -0.954 . . . . 42.03 111.733 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.5 t -74.77 151.14 39.15 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.966 -0.561 . . . . 64.43 111.79 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -83.22 123.49 29.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.836 0.35 . . . . 42.12 110.97 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.504 ' HA ' HG22 ' B' ' 51' ' ' ILE . 67.2 mt -66.15 95.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.088 0.47 . . . . 71.12 111.099 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.57 -31.76 65.49 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.974 0.416 . . . . 61.51 110.747 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 53.4 m -159.83 139.06 11.03 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.051 -0.522 . . . . 64.33 110.964 175.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.646 HG22 ' HB3' ' A' ' 38' ' ' LEU . 10.6 tp -138.19 131.75 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 120.735 0.302 . . . . 53.23 110.51 174.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.441 HG22 HG13 ' A' ' 37' ' ' VAL . 94.2 t -131.27 108.5 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-O 120.762 0.315 . . . . 72.23 111.455 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tt -114.42 116.18 28.48 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.812 0.339 . . . . 75.04 110.305 177.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 5.0 p-10 -135.02 128.37 32.21 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.041 0.448 . . . . 74.32 111.467 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.524 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -108.86 134.95 50.86 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.105 0.479 . . . . 72.22 111.897 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.39 152.92 33.76 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.013 -0.54 . . . . 74.23 110.677 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 57.8 20.66 6.72 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.948 0.722 . . . . 63.33 112.948 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.83 11.12 65.99 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 120.947 -0.644 . . . . 63.13 113.394 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mt -134.63 158.5 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 122.716 0.406 . . . . 74.32 110.163 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.524 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 39.4 p90 -128.5 143.01 50.91 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.888 -0.507 . . . . 72.31 111.213 178.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.546 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.1 t -118.84 99.94 7.07 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.315 0.579 . . . . 60.44 111.431 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.604 ' SG ' HD11 ' B' ' 36' ' ' ILE . 44.2 t -95.18 119.18 33.24 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.31 -0.404 . . . . 71.52 111.28 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.474 ' O ' HD12 ' B' ' 36' ' ' ILE . 52.1 m-20 -103.23 116.34 32.28 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.679 0.276 . . . . 61.13 110.808 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.499 HD23 HD12 ' B' ' 8' ' ' ILE . 42.6 tp -98.83 125.65 44.26 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.062 0.458 . . . . 65.14 111.675 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.545 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 58.8 mmm -117.15 107.36 14.38 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.305 -0.407 . . . . 63.12 111.038 178.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -140.03 177.03 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.235 -0.439 . . . . 74.32 111.829 -176.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -108.52 129.65 55.29 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.084 0.469 . . . . 73.11 111.863 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 15.3 m -124.79 142.8 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 116.299 -0.41 . . . . 72.21 111.402 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.507 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 19.0 ptpt -70.18 -29.1 65.89 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.249 0.462 . . . . 74.42 112.249 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.507 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 12.3 p30 -156.74 176.81 12.25 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.121 0.486 . . . . 60.23 111.631 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 69.7 p -72.24 -33.37 67.49 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.441 0.534 . . . . 64.53 112.441 -176.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.32 -37.41 87.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.677 0.751 . . . . 61.41 110.066 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -57.87 -43.62 86.11 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.24 -0.891 . . . . 61.53 110.902 172.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.433 ' CD2' HH11 ' B' ' 77' ' ' ARG . 64.4 tp -65.77 -47.35 75.48 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.189 -0.459 . . . . 65.32 111.829 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 67.5 p -61.61 -27.46 68.67 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 111.723 0.268 . . . . 75.11 111.723 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 84.9 m -60.27 -48.85 79.98 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.094 0.473 . . . . 73.32 111.02 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 68.8 mt -58.54 -37.61 76.05 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.241 -0.436 . . . . 75.25 111.005 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.449 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 62.9 mtt -53.94 -50.25 66.87 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.27 -0.423 . . . . 63.44 110.797 176.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.517 ' O ' ' HE3' ' B' ' 68' ' ' LYS . 18.0 t70 -57.07 -47.67 80.45 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.493 -0.321 . . . . 72.01 110.768 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -53.01 -41.52 64.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.105 0.478 . . . . 74.34 111.887 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.52 HD13 HD11 ' B' ' 10' ' ' ILE . 43.1 mt -76.0 -26.49 56.75 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.065 -0.516 . . . . 71.4 111.502 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.3 mtt180 -78.8 -7.86 58.24 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.375 -0.375 . . . . 72.12 111.953 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' B' ' 68' ' ' LYS . 9.4 mmpt? -72.12 -25.96 61.94 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.864 0.364 . . . . 74.34 111.444 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.518 HG12 ' H ' ' B' ' 71' ' ' GLY . 46.1 t -78.7 125.34 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 121.42 0.629 . . . . 72.42 112.103 -174.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -56.53 -31.7 64.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.436 -0.802 . . . . 72.31 112.685 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.518 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -73.11 -24.32 75.95 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 114.523 0.569 . . . . 64.24 114.523 -177.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.8 139.78 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 117.871 0.835 . . . . 74.21 111.688 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.418 ' CE2' HG12 ' B' ' 11' ' ' VAL . 0.5 OUTLIER -121.0 -17.62 7.76 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.457 0.539 . . . . 75.14 112.457 176.877 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.553 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 4.2 p -128.98 119.69 24.75 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.016 0.436 . . . . 65.14 112.035 176.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.421 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 47.5 t -132.05 105.29 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.825 -0.435 . . . . 52.53 109.825 172.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.499 ' HG3' ' HB3' ' B' ' 9' ' ' ARG . 7.8 pt-20 -133.49 165.87 23.88 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.084 -0.507 . . . . 63.54 112.027 -170.072 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.433 HH11 ' CD2' ' B' ' 59' ' ' LEU . 22.1 ttt85 -91.07 130.63 36.96 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.321 0.489 . . . . 65.1 112.321 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.424 ' HG ' ' HB2' ' B' ' 9' ' ' ARG . 96.9 mt -91.18 106.39 18.47 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.167 -0.47 . . . . 54.55 110.482 173.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 47.1 t -89.75 -37.26 14.66 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.011 0.434 . . . . 62.23 111.367 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -89.1 97.73 11.36 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.999 0.428 . . . . 70.11 110.506 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 mt . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 112.745 0.646 . . . . 62.11 112.745 -172.786 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 . . . . . 0 C--O 1.235 0.329 0 CA-C-O 120.958 0.408 . . . . 73.54 110.173 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.5 tp -78.81 103.01 8.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.555 0.693 . . . . 65.1 110.772 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.479 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -94.0 132.71 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.473 -0.785 . . . . 72.43 111.697 -178.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.24 146.06 17.69 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.176 -0.535 . . . . 62.54 112.771 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.421 HD12 HD23 ' A' ' 49' ' ' LEU . 55.2 mt -132.58 132.61 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 122.675 -0.309 . . . . 71.1 110.88 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.525 ' HB2' HD21 ' A' ' 78' ' ' LEU . 56.4 ttt180 -109.45 124.39 50.96 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.958 0.409 . . . . 74.55 110.837 174.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.577 ' HB ' ' HB3' ' A' ' 47' ' ' CYS . 37.9 mt -113.38 116.82 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.896 -0.593 . . . . 72.22 110.728 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.625 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 59.9 t -118.68 109.9 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 121.782 0.801 . . . . 61.32 111.062 175.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.33 164.28 23.88 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.213 -0.903 . . . . 71.44 111.813 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.98 140.16 48.98 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.398 0.618 . . . . 74.45 112.477 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -71.45 103.74 3.02 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.735 -0.666 . . . . 73.02 110.644 177.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 18' ' ' MET . 0.0 OUTLIER -163.36 147.5 10.81 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.361 -0.381 . . . . 72.44 111.39 -178.663 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 52.37 19.26 1.09 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.881 1.067 . . . . 54.51 113.881 168.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.54 34.98 27.04 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 120.88 -0.676 . . . . 74.43 113.192 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.515 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 52.0 mmm -55.89 -49.04 74.49 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.804 0.441 . . . . 61.02 112.017 178.257 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.9 p -50.58 -37.71 41.37 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.118 0.485 . . . . 63.21 111.735 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.566 ' HA ' HD12 ' B' ' 33' ' ' ILE . 7.0 t30 -75.46 -46.8 30.37 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.987 -0.551 . . . . 52.23 111.039 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.515 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.5 pt20 -66.15 -38.19 87.51 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.854 0.359 . . . . 74.21 111.299 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 22' ' ' ILE . 13.8 mm -63.62 -53.81 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 112.241 0.46 . . . . 74.43 112.241 -176.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.4 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.0 m -68.8 -27.57 65.98 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.367 0.603 . . . . 72.43 110.284 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.95 -46.61 93.74 Favored Glycine 0 CA--C 1.528 0.867 0 CA-C-N 115.803 -0.635 . . . . 64.23 112.608 173.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 21' ' ' GLN . 95.5 t -64.3 -37.21 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 122.569 -0.371 . . . . 64.5 111.299 176.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.451 HG21 HD13 ' A' ' 49' ' ' LEU . 68.0 mt -55.21 -44.68 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 120.998 0.428 . . . . 75.1 112.034 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' B' ' 20' ' ' ASN . 86.3 p -61.97 -21.72 65.05 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.168 -0.332 . . . . 73.25 111.561 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -85.03 11.43 9.58 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.071 0.397 . . . . 74.23 112.071 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -82.41 162.25 22.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.362 0.601 . . . . 71.11 112.401 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.77 29.6 0.89 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.801 -0.636 . . . . 71.43 111.518 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 t -138.21 149.03 45.41 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.952 0.406 . . . . 63.44 111.418 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -80.61 123.01 27.79 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.33 -0.396 . . . . 74.13 111.344 -175.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.524 ' HA ' HG22 ' A' ' 51' ' ' ILE . 72.5 mt -68.61 104.48 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.819 0.342 . . . . 55.42 111.496 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -31.18 22.04 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.845 0.355 . . . . 74.31 110.776 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.634 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 34.5 m -156.93 133.38 9.93 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.491 -0.322 . . . . 43.2 111.688 175.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.699 HD11 ' SG ' ' A' ' 47' ' ' CYS . 9.8 tp -135.53 130.05 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 110.177 -0.305 . . . . 74.11 110.177 172.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.7 t -136.0 104.75 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 120.971 0.415 . . . . 73.33 111.18 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.641 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.8 tt -113.92 133.03 55.71 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.59 -0.277 . . . . 72.21 110.474 178.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -142.29 138.53 31.41 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.795 0.331 . . . . 71.22 110.976 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -101.54 118.6 37.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.086 0.469 . . . . 61.41 111.591 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.09 157.85 43.74 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.2 -0.455 . . . . 61.23 110.604 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 64.23 13.36 7.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.918 0.487 . . . . 44.02 112.119 -177.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.83 11.11 77.63 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.995 -0.622 . . . . 55.52 112.466 -174.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -131.95 173.0 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.297 -0.631 . . . . 70.45 109.297 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.495 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 40.3 p90 -131.02 146.94 52.56 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.72 -0.612 . . . . 75.14 111.166 173.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.3 t -121.33 104.74 9.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.15 0.5 . . . . 75.23 110.914 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.699 ' SG ' HD11 ' A' ' 36' ' ' ILE . 46.2 t -90.83 114.39 26.79 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.093 -0.503 . . . . 53.11 111.189 178.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.421 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.5 m-20 -100.34 105.42 16.94 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.777 0.323 . . . . 65.41 111.069 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 26' ' ' ILE . 53.2 tp -98.24 135.7 39.49 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.012 0.434 . . . . 70.15 111.873 -178.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.588 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 57.0 mmm -129.9 110.92 12.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 116.25 -0.432 . . . . 71.33 110.923 177.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -141.87 159.48 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 116.179 -0.464 . . . . 73.22 111.732 -177.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -92.7 130.97 38.16 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.085 0.469 . . . . 43.24 111.39 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.4 m -120.68 158.56 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.212 0.53 . . . . 63.21 111.578 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.531 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.0 ptmt -88.13 -7.83 56.34 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.138 -0.483 . . . . 73.23 112.224 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.531 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.8 p30 -177.82 173.07 1.62 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.873 0.469 . . . . 74.42 111.076 175.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -69.76 -39.81 76.47 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.525 0.565 . . . . 71.31 112.525 -176.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.16 -35.37 80.56 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.803 0.811 . . . . 63.44 110.076 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 19.4 tptp -57.93 -33.06 68.4 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.14 -0.937 . . . . 73.52 111.023 173.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.479 HD13 ' HB1' ' A' ' 6' ' ' ALA . 58.9 tp -77.42 -47.99 18.35 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.08 -0.509 . . . . 75.44 111.474 176.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.0 p -60.67 -28.39 68.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.948 0.404 . . . . 73.41 111.771 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.7 m -61.78 -41.58 97.9 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.021 0.438 . . . . 74.32 110.951 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.4 -36.53 82.61 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.389 -0.369 . . . . 74.5 110.895 177.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 59.6 mtt -57.11 -48.23 79.15 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.011 0.434 . . . . 61.41 110.694 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -58.98 -45.66 90.03 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.816 -0.629 . . . . 64.13 111.314 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -55.89 -46.64 78.3 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.03 -0.532 . . . . 62.1 111.651 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.577 HD13 HD11 ' A' ' 10' ' ' ILE . 41.6 mt -72.3 -28.29 63.0 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.267 0.556 . . . . 64.33 111.495 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -74.83 -7.42 53.37 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.85 -0.613 . . . . 75.13 112.076 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -71.62 -17.13 62.29 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.092 -0.38 . . . . 71.05 111.945 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 71' ' ' GLY . 59.9 t -84.09 119.68 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.828 0.347 . . . . 70.4 111.611 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -56.64 -32.13 65.04 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.029 0.381 . . . . 71.35 112.029 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.411 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -71.01 -18.54 76.44 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.365 -0.445 . . . . 71.24 114.116 -177.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.75 120.78 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 117.226 0.513 . . . . 65.22 111.244 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -106.32 -5.85 18.78 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.535 0.569 . . . . 61.34 112.535 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.625 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 8.4 p -137.51 120.65 16.73 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.018 0.437 . . . . 74.32 111.75 174.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.3 t -127.75 103.96 11.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.293 -0.632 . . . . 72.43 109.293 170.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -130.12 167.18 18.75 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.048 0.451 . . . . 71.22 112.111 -172.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -94.87 139.79 30.83 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.278 0.561 . . . . 72.42 111.518 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 9' ' ' ARG . 94.7 mt -89.04 102.05 14.7 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.929 -0.578 . . . . 74.33 110.131 171.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.1 p -77.95 -63.43 1.39 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.57 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.67 102.94 5.55 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.11 0.481 . . . . 74.13 111.129 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.6 mt . . . . . 0 CA--C 1.536 0.407 0 CA-C-O 121.149 0.5 . . . . 62.33 111.943 -177.351 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.512 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 4.8 m-20 . . . . . 0 CA--C 1.538 0.491 0 CA-C-O 120.905 0.383 . . . . 55.2 111.212 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -117.47 157.27 26.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 65.41 109.934 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 43.1 tp -75.53 102.59 5.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.053 0.454 . . . . 73.02 110.84 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.0 158.39 15.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.099 0.476 . . . . 62.11 111.306 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.37 153.52 21.99 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.977 -0.63 . . . . 73.32 112.741 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 57.9 mt -137.45 140.85 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 122.587 0.355 . . . . 71.24 110.646 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.552 ' HB2' HD21 ' B' ' 78' ' ' LEU . 66.0 ttt180 -118.2 123.26 45.05 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.942 0.401 . . . . 70.42 110.77 175.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.633 HD11 HD13 ' B' ' 66' ' ' LEU . 48.7 mt -113.14 116.42 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.045 -0.525 . . . . 75.33 110.847 -179.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.618 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 92.2 t -114.38 116.86 53.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.473 0.654 . . . . 75.42 110.882 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.05 167.91 25.52 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.632 -0.713 . . . . 44.32 112.935 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.23 121.43 12.54 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 121.35 0.595 . . . . 72.03 112.229 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -68.78 92.33 0.48 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.146 0.498 . . . . 64.33 111.747 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -112.25 168.49 9.58 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.918 0.866 . . . . 75.21 113.32 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -75.47 41.19 0.18 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.34 -1.3 . . . . 75.34 112.892 -175.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.13 -27.71 0.06 OUTLIER Glycine 0 CA--C 1.525 0.68 0 CA-C-N 115.849 -0.614 . . . . 74.41 112.094 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.463 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 58.1 mmm -56.64 -50.86 70.8 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.291 0.478 . . . . 61.44 112.291 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 70.0 p -60.18 -31.99 70.64 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.904 0.383 . . . . 75.11 111.456 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.432 ' ND2' HG13 ' A' ' 33' ' ' ILE . 14.4 m120 -74.27 -48.2 30.16 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.16 0.505 . . . . 73.24 110.878 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.488 ' O ' HG23 ' B' ' 25' ' ' VAL . 9.7 pt20 -65.39 -36.05 82.81 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.086 -0.506 . . . . 51.3 111.621 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.412 HG13 ' HZ ' ' B' ' 45' ' ' PHE . 10.9 mm -62.53 -53.58 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 112.333 0.494 . . . . 62.14 112.333 -176.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 3.5 m -70.95 -27.41 63.72 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.39 -0.524 . . . . 72.01 110.261 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.422 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.18 -48.26 86.8 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-N 116.142 -0.481 . . . . 74.24 112.562 173.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 21' ' ' GLN . 94.5 t -59.57 -38.16 74.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 122.464 -0.433 . . . . 72.4 110.993 175.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.431 HG21 HD13 ' B' ' 49' ' ' LEU . 72.0 mt -60.02 -41.58 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 116.279 -0.419 . . . . 75.23 112.003 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 52.3 p -65.21 -20.86 66.63 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.992 0.425 . . . . 75.22 111.334 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 28.0 mtpp -76.84 -8.24 56.96 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.186 0.439 . . . . 74.35 112.186 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 22.8 m-30 -68.92 179.26 1.88 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.517 0.675 . . . . 71.21 112.187 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -109.1 5.07 23.7 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.781 -0.645 . . . . 74.22 112.158 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.0 t -106.73 166.88 10.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.593 0.59 . . . . 53.2 112.593 -174.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -94.85 122.18 37.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.928 -0.578 . . . . 63.22 111.947 -176.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 20' ' ' ASN . 60.4 mt -76.14 126.6 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.092 -0.504 . . . . 74.0 111.847 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' B' ' 34' ' ' ARG . 35.1 mmt180 -105.1 -28.93 10.72 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.041 0.448 . . . . 74.5 111.018 174.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.53 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 95.5 m -156.92 132.87 9.57 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.143 -0.48 . . . . 73.42 111.425 176.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.641 HG22 ' HB3' ' A' ' 38' ' ' LEU . 10.6 tp -131.94 132.48 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.917 0.389 . . . . 43.13 110.378 172.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 97.8 t -126.29 141.06 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.255 -0.43 . . . . 63.21 110.663 178.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.634 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.0 tt -145.09 116.61 8.08 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.576 -0.527 . . . . 70.12 109.576 171.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' B' ' 39' ' ' ASN . 3.6 p-10 -135.76 127.22 28.62 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.088 0.47 . . . . 75.31 111.542 178.217 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.551 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -102.78 133.92 47.03 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.212 0.53 . . . . 52.44 112.165 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -151.56 147.4 26.75 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.729 -0.668 . . . . 74.33 110.453 176.477 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.4 t70 64.1 20.34 12.15 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.164 0.507 . . . . 63.32 111.914 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.79 6.76 82.32 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.841 -0.695 . . . . 33.22 113.067 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mt -125.43 161.7 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 109.69 -0.485 . . . . 71.12 109.69 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.551 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 36.7 p90 -131.56 145.61 51.81 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.981 -0.449 . . . . 73.54 111.23 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.3 t -120.19 108.17 13.9 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.084 0.469 . . . . 63.11 111.446 176.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 48.4 t -96.58 116.46 29.14 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.41 -0.359 . . . . 63.3 111.313 177.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.407 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 2.5 m-20 -104.8 113.3 26.81 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.973 0.416 . . . . 73.33 111.205 -177.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.431 HD13 HG21 ' B' ' 26' ' ' ILE . 58.4 tp -98.3 134.21 41.63 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.228 -0.442 . . . . 62.24 111.844 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.429 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 67.6 mmm -124.03 110.55 14.9 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.812 0.339 . . . . 41.44 111.121 176.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -142.31 158.82 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 121.093 0.473 . . . . 72.2 111.993 -176.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -92.36 135.8 33.73 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 111.837 0.31 . . . . 75.44 111.837 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.512 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 3.6 m -136.61 146.79 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.723 0.297 . . . . 72.53 111.161 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -73.18 -17.84 61.33 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.578 0.584 . . . . 64.43 112.578 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -168.3 155.56 7.89 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.212 0.449 . . . . 74.25 112.212 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -58.6 -25.03 62.21 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.851 0.686 . . . . 72.04 112.851 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.21 -41.0 92.11 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.755 0.788 . . . . 72.23 110.639 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -61.74 -38.94 89.8 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.995 -1.002 . . . . 71.23 111.123 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' B' ' 77' ' ' ARG . 57.0 tp -68.4 -45.24 73.22 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.059 -0.519 . . . . 74.23 111.583 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 71.9 p -65.41 -34.04 77.36 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.011 0.434 . . . . 74.12 111.682 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 85.2 m -62.56 -40.5 97.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.309 -0.405 . . . . 54.44 111.388 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.42 -38.85 92.74 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.608 -0.269 . . . . 70.23 111.676 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.476 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 57.9 mtt -51.25 -52.66 42.73 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.028 0.442 . . . . 70.21 110.714 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.532 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 27.3 t70 -54.35 -52.97 59.91 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.663 -0.698 . . . . 74.1 111.103 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -50.26 -39.16 44.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.108 0.48 . . . . 74.24 111.836 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.633 HD13 HD11 ' B' ' 10' ' ' ILE . 59.9 mt -79.6 -26.61 41.2 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.143 -0.48 . . . . 64.42 111.766 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.8 mtt180 -75.62 -11.03 59.93 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.45 -0.341 . . . . 73.14 111.755 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 13.1 mmmm -75.37 2.71 10.64 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.838 0.351 . . . . 75.21 111.905 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.401 HG12 ' H ' ' B' ' 71' ' ' GLY . 47.3 t -97.17 125.59 50.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 CA-C-O 120.776 0.322 . . . . 74.54 111.36 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -56.96 -30.5 64.11 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 112.894 0.701 . . . . 74.1 112.894 -175.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.401 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -86.48 -10.08 74.34 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.953 -0.641 . . . . 71.22 114.323 -174.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.9 t -97.22 135.82 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 117.614 0.707 . . . . 60.41 111.466 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -121.8 -10.26 8.73 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.484 0.55 . . . . 65.31 112.484 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.618 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.3 p -135.31 122.7 21.85 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.03 0.443 . . . . 54.4 111.471 175.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.404 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 44.1 t -135.82 104.19 4.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 116.277 -0.419 . . . . 74.44 110.034 171.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -123.73 168.93 12.04 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.5 -0.318 . . . . 71.44 111.121 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.419 ' HB2' HD21 ' B' ' 59' ' ' LEU . 13.3 ptt180 -98.81 136.43 38.85 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.425 0.631 . . . . 74.21 110.992 176.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' B' ' 9' ' ' ARG . 94.9 mt -79.59 91.64 5.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.929 -0.578 . . . . 72.5 110.619 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -72.14 -58.54 3.34 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.046 -0.524 . . . . 71.03 111.329 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -76.27 103.25 6.2 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.931 0.396 . . . . 74.24 110.763 178.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.248 0.547 . . . . 63.44 111.975 -177.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 6' ' ' ALA . 51.0 p90 . . . . . 0 C--O 1.236 0.342 0 CA-C-O 120.984 0.421 . . . . 55.03 110.976 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 50' ' ' MET . 51.0 tp -78.94 102.73 8.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.282 0.563 . . . . 62.45 110.977 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.507 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -93.65 150.02 20.75 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.945 -0.571 . . . . 71.31 111.702 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.28 143.61 14.46 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.018 -0.61 . . . . 51.22 113.622 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.1 mt -132.72 144.8 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 122.886 0.474 . . . . 61.22 110.043 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.537 ' HB2' HD21 ' A' ' 78' ' ' LEU . 62.9 ttt180 -121.89 133.39 54.86 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.659 -0.651 . . . . 75.31 111.3 175.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.481 ' HB ' ' HB3' ' A' ' 47' ' ' CYS . 19.8 mt -121.3 117.36 52.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 115.931 -0.577 . . . . 73.32 110.881 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.572 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 52.3 t -122.01 118.63 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 121.513 0.673 . . . . 74.02 111.227 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.42 158.88 27.79 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.46 -0.791 . . . . 41.44 112.779 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.04 128.08 35.4 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.078 0.466 . . . . 74.31 111.314 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.42 109.68 7.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.823 0.344 . . . . 65.41 111.174 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' A' ' 18' ' ' MET . 20.5 ptmt -149.24 128.77 13.09 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.36 0.504 . . . . 74.32 112.36 -176.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 56.33 26.49 10.65 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.889 1.07 . . . . 65.22 113.889 172.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.623 ' HA2' HD22 ' B' ' 32' ' ' ASN . . . 86.83 37.68 8.42 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 120.826 -0.702 . . . . 75.2 113.799 177.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.582 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 35.0 mtp -66.22 -42.13 89.13 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.359 0.503 . . . . 63.33 112.359 178.097 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.4 p -50.65 -29.76 11.84 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.906 0.384 . . . . 63.34 111.936 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.47 ' ND2' HG13 ' B' ' 33' ' ' ILE . 14.8 m120 -72.89 -48.15 39.77 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.084 0.469 . . . . 74.24 111.034 178.336 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 18' ' ' MET . 1.7 pt20 -66.06 -38.31 88.0 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.983 -0.553 . . . . 74.22 111.16 -177.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.531 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 22.3 mm -62.27 -53.76 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 112.43 0.53 . . . . 72.44 112.43 -175.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 m -72.09 -26.79 62.29 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.431 -0.508 . . . . 52.32 110.502 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.68 -45.81 95.07 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 120.88 -0.676 . . . . 62.2 112.147 172.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.538 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 89.4 t -62.35 -35.63 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.647 0.26 . . . . 74.23 111.476 176.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.572 HD12 HD22 ' A' ' 49' ' ' LEU . 48.7 mm -51.52 -43.11 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-O 121.284 0.564 . . . . 55.44 111.329 176.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 m -59.0 -32.62 69.87 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.945 -0.57 . . . . 73.3 111.518 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 25' ' ' VAL . 37.6 mtmt -86.58 18.29 3.42 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.974 -0.557 . . . . 73.52 112.361 -171.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 21.6 m-30 -90.05 -5.78 56.23 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 111.975 0.361 . . . . 74.34 111.975 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 67.86 1.97 2.9 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.521 0.563 . . . . 73.02 112.521 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 t -101.58 147.48 26.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.239 -0.288 . . . . 72.42 111.037 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -72.5 120.54 18.26 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.065 0.46 . . . . 73.23 111.55 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.528 ' HA ' HG22 ' A' ' 51' ' ' ILE . 79.1 mt -72.35 101.07 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 116.158 -0.474 . . . . 71.32 111.459 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -82.21 -33.57 29.3 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.911 0.386 . . . . 64.54 110.472 178.609 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.619 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 46.2 m -155.25 132.62 11.05 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.743 0.306 . . . . 72.01 111.753 176.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.704 HD11 ' SG ' ' A' ' 47' ' ' CYS . 9.8 tp -140.45 131.55 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 110.232 -0.285 . . . . 75.33 110.232 174.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.88 104.84 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 120.932 0.396 . . . . 74.14 111.785 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.661 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.0 tt -113.51 127.15 55.99 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 122.304 -0.248 . . . . 63.23 110.35 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -138.81 131.88 29.69 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.801 0.334 . . . . 75.33 110.97 173.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -97.79 104.56 16.6 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.25 0.548 . . . . 70.53 111.559 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' O ' ' HE3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -128.8 152.81 48.06 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.918 -0.583 . . . . 73.0 110.372 178.039 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 66.6 8.71 6.05 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.537 0.335 . . . . 74.34 111.502 -176.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.77 75.58 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 121.257 -0.497 . . . . 62.41 112.674 -173.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.7 mt -125.64 153.85 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.16 0.584 . . . . 73.32 110.241 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.544 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 39.8 p90 -113.84 147.1 38.98 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.63 -0.669 . . . . 75.03 111.489 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 t -122.66 100.33 6.86 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.202 0.525 . . . . 62.44 110.96 173.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.704 ' SG ' HD11 ' A' ' 36' ' ' ILE . 48.6 t -94.34 113.59 25.5 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.042 -0.526 . . . . 51.24 111.402 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.433 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.3 m-20 -100.89 112.06 24.41 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.769 0.319 . . . . 75.53 111.21 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.572 HD22 HD12 ' A' ' 26' ' ' ILE . 51.1 tp -98.74 134.28 41.87 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.224 -0.443 . . . . 60.45 112.147 -178.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.594 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 58.6 mmm -131.98 112.04 12.05 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.229 -0.442 . . . . 71.4 110.766 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.528 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -141.69 159.71 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 116.362 -0.381 . . . . 71.14 111.647 -176.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -92.72 145.82 24.12 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.026 0.441 . . . . 74.44 111.724 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 m -146.83 153.22 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 116.31 -0.404 . . . . 73.14 111.118 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.448 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -91.24 -9.28 45.82 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.003 0.371 . . . . 60.22 112.003 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -160.78 160.45 31.25 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.039 0.447 . . . . 74.52 111.737 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.9 p -72.36 -23.95 61.21 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.133 0.419 . . . . 72.51 112.133 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.83 -40.28 96.24 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.914 0.864 . . . . 75.35 109.837 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -59.49 -43.12 93.38 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.675 -1.148 . . . . 72.12 111.356 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.507 HD13 ' HB1' ' A' ' 6' ' ' ALA . 50.4 tp -65.28 -48.04 74.57 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.384 -0.371 . . . . 73.34 111.811 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.7 p -64.67 -28.35 69.55 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.864 0.364 . . . . 55.51 111.66 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.2 m -61.44 -42.41 98.72 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.154 0.502 . . . . 75.33 111.413 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.403 HD13 ' CD2' ' A' ' 29' ' ' PHE . 13.4 mt -64.65 -37.74 88.6 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.091 -178.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.487 ' HE3' ' HG ' ' A' ' 59' ' ' LEU . 51.8 mtt -56.74 -49.38 75.38 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.222 0.534 . . . . 75.12 110.805 176.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.412 ' O ' ' HE2' ' A' ' 68' ' ' LYS . 10.7 t70 -58.37 -44.92 89.05 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.576 -0.738 . . . . 43.12 110.728 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -58.21 -40.79 82.54 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.931 0.396 . . . . 73.31 111.827 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.465 HD13 HD11 ' A' ' 10' ' ' ILE . 44.7 mt -76.04 -31.92 59.08 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.064 0.459 . . . . 74.24 112.178 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -71.35 -7.76 49.26 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 112.648 0.61 . . . . 73.52 112.648 -174.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' HE2' ' O ' ' A' ' 64' ' ' ASP . 70.9 mmtt -72.68 -18.85 61.51 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.168 0.433 . . . . 72.34 112.168 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.1 t -77.06 121.27 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 112.209 0.448 . . . . 73.12 112.209 -173.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 71' ' ' GLY . 6.7 pt20 -54.62 -34.45 62.11 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.855 0.687 . . . . 73.22 112.855 -177.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.566 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -75.94 -22.25 74.66 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.146 -0.55 . . . . 75.15 113.816 -176.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.2 t -88.94 133.12 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 117.12 0.46 . . . . 65.52 111.396 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.62 -8.61 10.9 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.373 0.509 . . . . 73.23 112.373 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.572 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 6.2 p -133.64 118.74 18.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.173 0.511 . . . . 73.41 111.492 175.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.4 t -134.69 102.52 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.681 -0.488 . . . . 74.04 109.681 171.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -137.68 173.7 11.37 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.255 0.55 . . . . 71.45 111.873 -173.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -87.47 148.07 25.11 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.846 -0.616 . . . . 72.23 111.523 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' A' ' 9' ' ' ARG . 94.5 mt -96.77 104.97 17.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.288 -0.414 . . . . 71.33 110.697 174.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.6 p -80.19 -60.0 2.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.906 0.384 . . . . 51.03 111.598 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -76.37 104.1 6.71 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.274 0.559 . . . . 71.04 110.956 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.4 mt . . . . . 0 CA--C 1.537 0.452 0 CA-C-N 116.12 -0.491 . . . . 64.01 111.81 -177.853 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 121.078 0.466 . . . . 65.33 112.008 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -149.86 148.86 29.66 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.114 -0.493 . . . . 72.12 110.104 168.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 49.1 tp -77.36 102.14 6.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.257 0.551 . . . . 70.44 110.927 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.526 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -94.65 138.07 32.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.907 -0.588 . . . . 73.34 111.227 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' GLY . . . . . 0.484 ' HA3' ' HB2' ' B' ' 78' ' ' LEU . . . -114.24 143.08 17.88 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 121.034 -0.603 . . . . 62.45 113.518 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.578 HD12 HD23 ' B' ' 49' ' ' LEU . 41.1 mt -128.45 145.21 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.815 -0.439 . . . . 74.01 109.815 175.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.494 ' HB2' HD21 ' B' ' 78' ' ' LEU . 35.9 ttt180 -121.95 124.98 45.33 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.997 -0.439 . . . . 70.12 110.81 175.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.524 HD11 HD13 ' B' ' 66' ' ' LEU . 42.2 mt -113.3 117.25 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.535 . . . . 74.42 110.709 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.565 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 59.4 t -120.53 112.62 37.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 CA-C-O 121.342 0.592 . . . . 71.14 110.816 177.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.09 168.04 24.71 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.412 -0.813 . . . . 74.31 112.878 -177.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.441 ' HG3' ' HG2' ' B' ' 15' ' ' LYS . 14.6 pt-20 -76.44 143.64 40.43 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.24 0.459 . . . . 74.43 112.24 -176.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.69 94.11 0.06 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.268 0.47 . . . . 74.22 112.268 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.483 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 3.5 mmmp? -107.63 145.87 32.74 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.68 -0.236 . . . . 72.04 111.214 172.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 4.37 -65.36 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 O-C-N 124.764 1.29 . . . . 75.34 114.365 164.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.15 31.91 1.92 Allowed Glycine 0 CA--C 1.528 0.859 0 CA-C-N 115.732 -0.667 . . . . 70.31 113.529 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.483 ' HG2' ' HB2' ' B' ' 15' ' ' LYS . 20.3 mmm -66.16 -48.3 71.2 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 122.493 -0.416 . . . . 65.02 111.961 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 67.7 p -59.23 -30.99 68.65 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.139 0.495 . . . . 71.13 111.502 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.41 ' ND2' HG13 ' A' ' 33' ' ' ILE . 14.0 m120 -76.24 -48.41 20.4 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.061 -0.518 . . . . 70.04 110.949 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.486 ' O ' HG23 ' B' ' 25' ' ' VAL . 18.5 pt20 -67.0 -39.74 87.18 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.305 -0.407 . . . . 73.21 111.678 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.414 ' O ' HG13 ' B' ' 26' ' ' ILE . 10.5 mm -56.36 -54.33 29.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 112.007 0.373 . . . . 75.1 112.007 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 15.6 m -74.67 -28.59 60.9 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.093 0.473 . . . . 71.52 110.76 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.17 95.54 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-N 116.083 -0.508 . . . . 75.22 112.633 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 21' ' ' GLN . 91.9 t -71.61 -36.88 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 120.91 0.386 . . . . 64.31 110.836 175.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.466 HG21 HD13 ' B' ' 49' ' ' LEU . 71.2 mt -56.66 -40.18 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 120.806 0.336 . . . . 73.41 111.753 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 61.9 p -62.24 -21.74 65.41 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 120.764 0.316 . . . . 62.32 111.326 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -80.52 -1.55 42.3 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 111.882 0.327 . . . . 51.44 111.882 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -73.2 154.18 40.37 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.563 0.697 . . . . 73.04 112.332 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.32 10.51 2.45 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.363 -0.835 . . . . 65.04 111.948 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.8 t -125.79 162.62 24.69 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 112.531 0.567 . . . . 73.31 112.531 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ASN . . . . . 0.623 HD22 ' HA2' ' A' ' 17' ' ' GLY . 25.4 t-20 -87.38 132.12 34.07 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.0 -0.545 . . . . 74.04 111.505 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.47 HG13 ' ND2' ' A' ' 20' ' ' ASN . 64.8 mt -78.01 100.3 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.315 -0.402 . . . . 73.45 110.778 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' B' ' 34' ' ' ARG . 0.5 OUTLIER -77.51 -32.81 54.39 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.113 0.483 . . . . 64.13 111.1 -177.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 72.0 m -156.1 133.28 10.68 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.926 -0.579 . . . . 72.12 110.861 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.74 HD11 ' SG ' ' B' ' 47' ' ' CYS . 10.7 tp -134.15 130.12 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 120.993 0.425 . . . . 73.15 110.588 175.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 85.7 t -126.15 138.68 53.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 CA-C-N 116.437 -0.347 . . . . 70.31 110.254 177.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.619 ' O ' ' HA ' ' A' ' 35' ' ' THR . 7.7 tt -144.1 116.31 8.45 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.866 -0.42 . . . . 71.51 109.866 175.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.426 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 2.5 p-10 -134.9 109.64 8.63 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.221 0.534 . . . . 63.2 111.564 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -92.24 130.82 37.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.355 0.598 . . . . 65.13 112.493 -177.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.532 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -154.43 157.92 39.19 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.614 -0.721 . . . . 73.35 110.118 175.532 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 63.54 11.6 5.79 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 112.348 0.499 . . . . 71.11 112.348 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.53 11.36 60.87 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 121.124 -0.56 . . . . 72.34 112.86 -177.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.8 mt -136.0 158.26 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 122.922 0.489 . . . . 62.02 110.598 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.512 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 43.2 p90 -129.38 140.07 51.48 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 122.052 -0.405 . . . . 74.01 111.517 177.116 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.406 HG23 ' OD1' ' B' ' 39' ' ' ASN . 1.7 t -112.09 102.26 10.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.095 0.474 . . . . 73.44 111.755 175.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.74 ' SG ' HD11 ' B' ' 36' ' ' ILE . 51.8 t -91.06 113.41 25.66 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.235 -0.438 . . . . 72.02 111.632 177.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -94.88 110.9 22.73 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.546 0.338 . . . . 74.43 111.065 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.578 HD23 HD12 ' B' ' 8' ' ' ILE . 55.1 tp -98.22 131.58 44.45 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.109 0.481 . . . . 72.01 112.013 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.427 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 0.1 OUTLIER -126.19 111.02 14.12 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.171 -0.468 . . . . 62.32 110.976 176.78 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -139.53 159.69 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 112.219 0.451 . . . . 75.14 112.219 -175.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -97.67 130.94 44.63 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.127 0.489 . . . . 60.41 111.789 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.77 155.96 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.954 0.407 . . . . 74.21 111.609 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.506 ' NZ ' ' HB2' ' B' ' 54' ' ' LYS . 10.2 mtmp? -88.64 -12.97 40.99 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.264 -0.426 . . . . 74.41 111.868 177.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -164.31 166.59 20.7 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.903 0.382 . . . . 65.44 111.529 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 66.2 p -72.5 -35.8 68.23 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.689 0.626 . . . . 63.41 112.689 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.41 -32.37 73.79 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.641 0.734 . . . . 71.22 110.538 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -59.04 -44.44 91.76 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.284 -0.871 . . . . 73.15 110.981 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.526 HD22 ' HB1' ' B' ' 6' ' ' ALA . 64.0 tp -67.24 -47.33 71.11 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.287 -0.415 . . . . 71.43 111.579 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 75.4 p -60.1 -36.95 78.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.606 -0.27 . . . . 53.41 111.486 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 82.1 m -63.1 -42.27 99.55 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.443 -0.344 . . . . 54.42 111.069 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 50.5 mt -59.88 -47.99 83.51 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.937 0.398 . . . . 71.1 111.199 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.573 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 71.7 mtm -59.8 -39.89 86.51 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.747 0.308 . . . . 62.44 110.953 176.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.15 -38.2 85.57 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.077 0.465 . . . . 71.44 111.012 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -62.28 -42.82 99.68 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.321 0.581 . . . . 65.41 111.029 174.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.524 HD13 HD11 ' B' ' 10' ' ' ILE . 65.3 mt -71.26 -26.85 63.07 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.992 -0.549 . . . . 71.2 111.742 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.5 mtt180 -68.44 -9.02 45.78 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 111.983 0.364 . . . . 74.22 111.983 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -76.78 -9.67 58.84 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.722 0.638 . . . . 71.24 112.722 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.479 HG12 ' H ' ' B' ' 71' ' ' GLY . 41.8 t -92.46 125.49 45.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-O 121.491 0.662 . . . . 65.13 112.548 -174.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -58.43 -30.84 67.2 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.379 -0.828 . . . . 63.13 112.749 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.479 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -79.18 -11.94 84.53 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.254 -0.498 . . . . 73.11 114.186 -176.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.54 134.27 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 117.537 0.668 . . . . 70.13 111.942 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.29 -19.37 10.21 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.282 -0.417 . . . . 75.32 112.072 176.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.565 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 0.7 OUTLIER -124.13 118.38 26.77 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.946 -0.471 . . . . 74.4 111.655 176.077 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 39.6 t -128.28 110.27 21.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 109.053 -0.721 . . . . 73.34 109.053 170.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -137.71 160.93 37.88 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.745 0.646 . . . . 71.23 112.745 -173.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.44 ' HG3' HD21 ' B' ' 59' ' ' LEU . 76.1 ttt-85 -88.7 122.76 32.46 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.783 -0.644 . . . . 72.35 111.457 177.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.494 HD21 ' HB2' ' B' ' 9' ' ' ARG . 94.7 mt -70.45 99.55 1.62 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.939 0.399 . . . . 75.23 110.957 176.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 69.0 p -73.58 -58.27 3.42 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.133 0.492 . . . . 55.52 111.677 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -83.86 120.95 26.68 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 116.322 -0.399 . . . . 71.44 111.078 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 N--CA 1.467 0.384 0 CA-C-O 121.484 0.659 . . . . 42.33 112.053 -179.92 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.6 p90 . . . . . 0 C--O 1.235 0.328 0 CA-C-O 120.982 0.42 . . . . 60.23 109.975 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.0 tp -77.68 104.34 8.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.43 0.633 . . . . 74.11 110.808 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.609 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -93.09 136.85 32.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.728 -0.669 . . . . 74.22 111.542 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.69 138.43 14.81 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 121.276 -0.487 . . . . 63.32 113.189 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 mt -128.61 150.35 34.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 122.746 0.419 . . . . 65.22 110.359 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -128.77 130.33 46.88 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.894 0.378 . . . . 54.11 111.054 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.888 HD11 HD13 ' A' ' 66' ' ' LEU . 38.8 mt -120.41 117.36 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.999 -0.546 . . . . 44.35 110.981 -177.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.616 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 68.1 t -118.04 115.84 49.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.489 0.662 . . . . 74.25 111.058 174.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.0 162.93 27.09 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.59 -0.732 . . . . 73.15 112.59 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.38 139.21 47.72 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.12 0.486 . . . . 72.2 111.669 -177.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -76.03 108.23 8.79 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.266 -0.425 . . . . 74.15 111.893 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 17' ' ' GLY . 30.3 mtmm -134.92 127.13 30.05 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.299 -0.41 . . . . 73.4 111.248 175.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 53.96 -75.37 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.079 0.862 . . . . 74.42 113.162 167.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -149.04 30.09 1.22 Allowed Glycine 0 CA--C 1.525 0.678 0 CA-C-N 115.245 -0.889 . . . . 73.44 112.684 -175.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.462 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 59.0 mmm -57.5 -50.67 72.31 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.982 0.42 . . . . 71.22 111.647 177.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.8 p -56.7 -34.68 67.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 74.52 111.777 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -74.35 -45.88 44.33 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.05 0.452 . . . . 73.25 110.793 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.469 ' O ' HG23 ' A' ' 25' ' ' VAL . 16.3 pt20 -67.54 -35.87 79.9 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.093 -0.503 . . . . 71.54 111.206 -176.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.473 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 12.1 mm -62.97 -53.57 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 111.998 0.369 . . . . 74.4 111.998 -178.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.432 ' HA ' HD12 ' A' ' 26' ' ' ILE . 10.1 m -72.02 -26.93 62.41 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.393 0.616 . . . . 50.11 110.152 177.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.37 -43.28 99.56 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 115.735 -0.666 . . . . 75.3 112.724 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 21' ' ' GLN . 75.2 t -66.31 -37.55 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-O 120.952 0.406 . . . . 75.02 110.795 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 23' ' ' THR . 74.0 mt -55.97 -43.31 74.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 121.008 0.432 . . . . 54.22 111.702 175.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.9 p -66.31 -21.13 66.25 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 120.794 0.331 . . . . 51.42 111.438 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 57.8 mtpt -77.25 -3.9 42.13 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.268 0.47 . . . . 63.05 112.268 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -74.14 165.05 25.82 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.466 0.65 . . . . 74.23 111.945 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -78.57 -33.45 47.65 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.768 -0.651 . . . . 64.35 111.275 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -78.04 168.39 19.96 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.827 -0.624 . . . . 73.41 112.338 -176.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -104.18 136.46 43.75 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.109 0.48 . . . . 64.33 111.561 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' B' ' 20' ' ' ASN . 67.6 mt -65.5 131.89 31.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.233 0.539 . . . . 72.25 111.434 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HG2' ' HA ' ' A' ' 51' ' ' ILE . 8.7 mmm180 -110.23 -34.12 6.46 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.347 0.594 . . . . 75.34 110.266 176.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 34.1 m -157.23 132.46 9.02 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.826 -0.625 . . . . 64.23 110.263 175.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.629 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.9 tp -134.73 128.88 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 121.028 0.442 . . . . 60.01 110.578 175.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.507 HG22 HG13 ' B' ' 37' ' ' VAL . 59.8 t -126.15 121.13 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 116.457 -0.338 . . . . 55.01 110.794 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.462 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.5 tt -134.48 128.27 33.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.041 -0.412 . . . . 74.22 110.787 178.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -152.2 130.98 12.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.459 -0.337 . . . . 75.43 110.929 174.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.69 116.68 33.16 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.096 0.474 . . . . 55.22 111.686 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.53 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -129.72 149.37 51.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.08 -0.509 . . . . 74.21 110.017 176.925 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 57.95 22.4 8.73 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 111.995 0.368 . . . . 73.32 111.995 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.89 6.61 82.21 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 121.258 -0.496 . . . . 75.22 113.843 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.8 mt -131.93 148.53 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 122.489 -0.418 . . . . 74.14 110.89 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.545 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 44.8 p90 -116.16 145.61 42.94 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.078 0.466 . . . . 73.53 111.475 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -119.26 102.25 8.57 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.998 -0.546 . . . . 63.14 110.84 174.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.629 ' SG ' HD11 ' A' ' 36' ' ' ILE . 42.5 t -95.53 113.61 25.28 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.098 -0.501 . . . . 72.15 111.687 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.0 m-20 -97.94 112.39 24.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.56 0.344 . . . . 73.5 110.814 178.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.42 HD13 HG21 ' A' ' 26' ' ' ILE . 47.9 tp -99.01 131.86 44.75 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.032 0.444 . . . . 73.2 111.946 -178.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.476 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 70.1 mmm -126.26 113.7 17.31 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.884 0.373 . . . . 72.43 111.308 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.461 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 2.3 pp -140.33 169.08 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 116.191 -0.459 . . . . 62.42 111.12 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.01 136.22 39.29 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.946 -0.471 . . . . 70.54 111.947 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.52 141.3 42.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 120.86 0.362 . . . . 72.24 110.938 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.561 ' H ' ' HD3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -73.65 -9.6 58.84 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.321 0.86 . . . . 74.33 113.321 179.516 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -164.89 154.18 12.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.138 0.422 . . . . 70.54 112.138 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.8 p -63.82 -23.6 67.42 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.528 0.566 . . . . 72.13 112.528 -175.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.36 -48.18 82.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.902 0.858 . . . . 73.23 109.611 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -57.71 -33.18 68.14 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.447 -1.251 . . . . 75.51 111.572 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.609 HD13 ' HB1' ' A' ' 6' ' ' ALA . 33.1 tp -70.3 -48.2 57.71 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.779 0.323 . . . . 75.21 111.618 178.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 63.4 p -61.81 -34.83 76.62 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.92 0.39 . . . . 74.02 111.385 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.8 m -57.76 -41.27 81.61 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.397 -0.365 . . . . 63.33 111.459 175.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.42 -35.13 79.92 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.447 -0.342 . . . . 54.45 111.696 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.9 mtt -54.66 -44.53 73.37 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.966 0.412 . . . . 74.03 110.986 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 32.2 t70 -60.84 -54.33 46.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.054 -0.521 . . . . 74.31 111.179 176.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -51.04 -36.97 42.59 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.715 -0.675 . . . . 63.43 111.968 -176.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.888 HD13 HD11 ' A' ' 10' ' ' ILE . 43.5 mt -83.76 -27.69 28.7 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.083 0.468 . . . . 73.14 111.524 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -79.82 -9.88 59.71 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 111.998 0.37 . . . . 74.12 111.998 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 31.5 mmmt -71.75 -5.51 34.57 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 122.089 -0.382 . . . . 75.53 111.974 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.92 121.31 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 120.717 0.294 . . . . 70.0 111.05 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -59.82 -28.82 67.8 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.546 0.573 . . . . 73.31 112.546 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.01 -14.88 78.6 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.166 -0.54 . . . . 53.54 114.08 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.54 141.08 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 117.246 0.523 . . . . 63.22 111.179 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -123.74 -3.59 8.22 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.803 0.668 . . . . 71.44 112.803 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.616 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 7.3 p -141.81 125.45 16.85 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.913 0.387 . . . . 75.43 111.156 174.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 t -141.2 101.91 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.561 -0.533 . . . . 62.53 109.561 172.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -131.19 177.89 7.12 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 111.868 0.322 . . . . 73.25 111.868 -172.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 77' ' ' ARG . 34.5 ttt180 -92.85 147.27 22.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.164 0.507 . . . . 73.22 111.499 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -95.27 114.88 26.72 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.864 -0.607 . . . . 65.22 110.714 173.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.2 t -81.6 -48.67 11.47 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.974 0.416 . . . . 65.32 111.797 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -85.99 114.75 23.13 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.42 -0.354 . . . . 75.33 110.982 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.1 mt . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 121.803 0.811 . . . . 63.14 110.99 -176.261 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 0.7 OUTLIER . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 120.78 0.324 . . . . 74.54 111.871 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -140.46 156.97 46.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.792 0.329 . . . . 63.35 110.565 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 37.4 tp -76.78 108.17 9.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.823 0.344 . . . . 72.14 110.971 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.574 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -100.71 153.21 19.63 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.468 -0.333 . . . . 61.24 111.307 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.93 135.45 8.26 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 120.876 -0.678 . . . . 64.54 114.051 -176.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 57.9 mt -127.51 126.61 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 122.838 0.455 . . . . 64.11 110.287 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.519 ' HB2' HD21 ' B' ' 78' ' ' LEU . 34.1 ttm180 -101.91 118.54 37.14 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.107 0.48 . . . . 72.34 111.307 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.59 HD11 HD13 ' B' ' 66' ' ' LEU . 49.1 mt -104.92 118.0 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.868 -0.605 . . . . 75.34 111.204 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.589 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 77.1 t -119.19 114.26 44.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.411 0.624 . . . . 54.24 110.895 175.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.26 170.93 23.91 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 115.647 -0.706 . . . . 63.2 112.444 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -73.89 128.67 36.14 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.252 0.549 . . . . 71.03 112.054 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.88 100.67 2.47 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.281 0.562 . . . . 63.4 111.45 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -120.41 179.37 4.33 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.912 -0.586 . . . . 60.31 112.394 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -74.94 43.16 0.19 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.696 0.999 . . . . 73.12 113.696 -171.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.3 -23.02 0.18 Allowed Glycine 0 CA--C 1.527 0.824 0 C-N-CA 121.201 -0.523 . . . . 64.22 113.469 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.481 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 35.3 mmm -53.31 -50.74 64.3 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.223 0.823 . . . . 61.24 113.223 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 50.6 p -56.65 -37.8 71.29 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.086 0.469 . . . . 55.23 111.907 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.488 ' HA ' HD12 ' A' ' 33' ' ' ILE . 5.8 t30 -71.74 -45.94 60.14 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.979 -0.555 . . . . 61.42 110.643 -178.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.485 ' O ' HG23 ' B' ' 25' ' ' VAL . 7.9 pt20 -67.57 -38.94 84.82 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.087 -0.506 . . . . 75.44 111.426 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.422 ' O ' HG13 ' B' ' 26' ' ' ILE . 17.6 mm -61.1 -54.84 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 112.166 0.432 . . . . 72.23 112.166 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 14.0 m -73.82 -27.78 61.28 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.125 0.488 . . . . 72.44 110.636 -177.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -62.68 -52.2 50.35 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.212 -0.518 . . . . 64.24 112.549 174.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 21' ' ' GLN . 95.7 t -59.04 -37.92 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-O 120.893 0.378 . . . . 72.35 111.524 177.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.491 HG21 HD13 ' B' ' 49' ' ' LEU . 73.0 mt -57.56 -45.95 86.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 116.256 -0.429 . . . . 53.51 111.947 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 51.4 p -62.52 -20.85 65.03 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.835 0.35 . . . . 41.32 111.216 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 45.8 mtpt -82.33 4.77 22.54 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.359 0.503 . . . . 71.24 112.359 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -73.2 162.64 29.17 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.434 0.635 . . . . 73.43 112.055 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.48 -29.99 70.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.704 -0.68 . . . . 64.13 111.034 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.2 t -89.0 168.36 12.42 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.385 -0.825 . . . . 75.1 112.95 -172.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -93.8 125.37 38.39 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.674 -0.694 . . . . 65.31 111.114 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.5 ' HA ' HG22 ' B' ' 51' ' ' ILE . 2.2 mp -72.65 100.28 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.377 0.608 . . . . 73.22 110.6 177.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.475 ' HD3' ' HB3' ' A' ' 40' ' ' ALA . 5.2 tpp180 -80.64 -29.65 36.7 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.207 0.527 . . . . 75.21 110.898 -178.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 33.7 m -156.04 142.69 18.69 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.974 -0.557 . . . . 73.25 110.555 176.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.555 ' HA ' ' O ' ' B' ' 48' ' ' ASN . 20.4 tt -158.86 129.74 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.018 0.437 . . . . 73.15 111.165 173.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.507 HG13 HG22 ' A' ' 37' ' ' VAL . 64.3 t -132.82 105.03 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 116.504 -0.316 . . . . 71.12 111.552 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.621 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.6 tt -103.28 115.66 30.99 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 110.153 -0.314 . . . . 72.45 110.153 176.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -133.74 137.6 45.3 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.803 0.335 . . . . 73.22 110.922 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -102.25 123.11 45.5 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.176 0.512 . . . . 73.41 111.435 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.471 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -132.82 135.51 45.7 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.092 -0.504 . . . . 61.21 110.652 177.298 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 18.4 t70 65.72 13.22 8.83 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.013 -0.54 . . . . 73.11 112.03 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.62 -7.6 50.33 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 121.38 -0.438 . . . . 61.43 113.685 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -117.87 148.76 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 122.444 -0.444 . . . . 52.14 110.638 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.538 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 33.4 p90 -115.01 140.92 48.66 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.092 0.472 . . . . 45.31 111.677 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.403 ' HB ' HG22 ' B' ' 11' ' ' VAL . 2.3 t -116.13 104.88 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.017 -0.538 . . . . 71.22 110.907 175.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.407 ' HB3' ' HB ' ' B' ' 10' ' ' ILE . 48.7 t -90.4 103.07 15.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.057 0.456 . . . . 75.05 110.843 176.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.555 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 2.9 m-20 -83.41 105.35 14.28 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.266 -0.424 . . . . 74.4 110.655 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.491 HD13 HG21 ' B' ' 26' ' ' ILE . 33.6 tp -98.1 130.92 44.87 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.024 0.44 . . . . 71.34 111.899 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.554 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 60.4 mmm -130.82 113.46 14.11 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.246 -0.433 . . . . 63.11 111.306 178.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.5 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -138.35 158.79 31.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.0 0.429 . . . . 72.42 111.896 -177.347 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -90.38 131.67 36.03 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.879 0.371 . . . . 73.54 111.874 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 3.7 m -129.61 152.58 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 116.618 -0.265 . . . . 64.13 110.865 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.489 ' HG3' ' OD1' ' B' ' 55' ' ' ASN . 19.9 ptpt -94.01 -17.06 23.29 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.547 0.213 . . . . 65.23 111.428 175.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.489 ' OD1' ' HG3' ' B' ' 54' ' ' LYS . 17.1 m120 -141.73 146.43 36.02 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.838 0.351 . . . . 74.44 111.219 176.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.8 p -61.36 -24.95 66.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.955 0.407 . . . . 74.23 111.227 173.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -56.11 -46.11 79.23 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.121 0.486 . . . . 71.13 110.878 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -57.34 -45.7 84.06 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.974 -0.557 . . . . 71.23 110.9 175.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.574 HD13 ' HB1' ' B' ' 6' ' ' ALA . 49.9 tp -57.04 -47.23 81.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.247 -0.433 . . . . 61.13 111.709 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.9 p -71.93 -27.73 63.0 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.912 0.387 . . . . 72.24 111.874 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 62.4 m -68.98 -42.29 76.73 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.701 0.286 . . . . 73.33 111.574 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 68.6 mt -59.78 -39.67 85.69 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.622 0.248 . . . . 70.41 111.283 177.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.5 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 61.8 mtt -51.48 -49.02 62.62 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.297 -0.41 . . . . 75.54 110.766 175.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 19.5 t70 -55.12 -52.65 62.59 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.873 -0.603 . . . . 71.41 111.153 177.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.449 ' NZ ' ' HB3' ' B' ' 65' ' ' LYS . 8.4 mtpm? -53.35 -34.49 57.77 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.237 0.541 . . . . 74.31 111.598 177.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.59 HD13 HD11 ' B' ' 10' ' ' ILE . 53.3 mt -81.77 -30.08 32.51 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.966 -0.561 . . . . 73.25 111.752 179.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' B' ' 63' ' ' MET . 51.9 mtt180 -70.65 -14.95 62.67 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.718 0.266 . . . . 74.11 111.718 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 1.5 mmmp? -72.46 -8.85 57.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.969 0.359 . . . . 73.42 111.969 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.8 t -86.95 119.59 35.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-O 121.207 0.527 . . . . 74.33 111.596 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -55.29 -33.7 63.48 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.007 0.743 . . . . 73.3 113.007 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.2 -9.63 86.85 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 121.075 -0.583 . . . . 72.02 114.553 -176.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 96.6 t -99.94 137.58 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 117.789 0.795 . . . . 71.11 111.786 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.99 -19.81 9.63 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.497 0.554 . . . . 73.05 112.497 178.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.589 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.5 p -126.75 118.94 25.73 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.185 0.517 . . . . 64.24 111.998 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 34.6 t -128.62 103.44 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.848 -0.797 . . . . 61.44 108.848 169.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -131.2 156.66 44.97 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.96 0.726 . . . . 62.31 112.96 -167.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.455 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 57.0 ttp85 -85.44 127.62 34.45 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.7 -0.682 . . . . 75.0 111.677 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' B' ' 9' ' ' ARG . 80.9 mt -77.87 99.25 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.047 -0.524 . . . . 73.23 110.317 173.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 43.4 t -69.06 -57.91 4.79 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.186 0.517 . . . . 73.1 111.297 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -93.59 97.17 10.32 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.288 -0.414 . . . . 75.22 110.139 175.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.5 mt . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 121.799 0.809 . . . . 74.23 112.768 -175.039 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.422 ' HE2' ' HA ' ' A' ' 55' ' ' ASN . 52.0 p90 . . . . . 0 C--O 1.236 0.342 0 CA-C-O 120.957 0.408 . . . . 64.12 110.797 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.81 HD22 HH11 ' A' ' 34' ' ' ARG . 55.8 tp -81.64 107.7 14.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.185 0.517 . . . . 74.52 110.341 176.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -96.85 159.13 15.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.687 -0.688 . . . . 70.02 112.094 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -134.53 143.54 15.24 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 115.983 -0.553 . . . . 44.2 112.802 178.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.52 HD12 HD23 ' A' ' 49' ' ' LEU . 53.6 mt -129.61 140.67 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 122.644 0.378 . . . . 73.13 110.782 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -115.9 126.81 54.4 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.788 0.327 . . . . 62.21 111.339 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.806 HD11 HD13 ' A' ' 66' ' ' LEU . 40.5 mt -123.6 117.31 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 116.24 -0.437 . . . . 74.42 111.236 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.633 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 95.9 t -120.23 120.44 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.43 0.633 . . . . 75.24 111.232 174.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.3 163.07 27.54 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.751 -0.659 . . . . 61.01 112.886 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.08 134.21 52.35 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 121.207 0.527 . . . . 74.12 111.8 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -70.65 110.58 5.56 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.123 -0.49 . . . . 53.11 111.552 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.482 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 14.6 mmmm -121.2 -178.11 3.69 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.54 0.686 . . . . 72.14 112.733 -178.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -42.94 -30.77 0.44 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.339 -1.301 . . . . 64.11 114.002 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.36 36.8 0.4 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.383 -0.913 . . . . 73.25 113.747 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.482 ' HG2' ' HB2' ' A' ' 15' ' ' LYS . 50.2 mmm -73.59 -50.84 19.16 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 117.231 0.515 . . . . 62.02 111.979 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.7 p -61.18 -29.31 69.72 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.221 0.534 . . . . 73.11 111.109 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -76.44 -48.74 18.64 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.945 -0.571 . . . . 74.42 110.893 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.473 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.4 pt20 -68.77 -38.56 80.15 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.386 -0.37 . . . . 65.42 111.822 -176.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 22' ' ' ILE . 11.2 mm -56.32 -54.33 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.927 0.394 . . . . 45.12 111.858 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.469 HG21 HG21 ' B' ' 23' ' ' THR . 13.7 m -74.44 -27.19 60.49 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.209 0.528 . . . . 64.54 110.29 178.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.45 -38.32 93.35 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.214 -0.517 . . . . 64.2 112.475 172.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 21' ' ' GLN . 96.1 t -70.84 -40.21 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 120.91 0.386 . . . . 75.2 110.7 174.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.495 HG21 HD13 ' A' ' 49' ' ' LEU . 65.1 mt -56.14 -45.2 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 112.0 0.37 . . . . 70.11 112.0 177.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.4 p -59.21 -21.72 59.92 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 120.777 0.322 . . . . 71.04 111.702 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -75.49 -11.88 60.12 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.234 0.457 . . . . 51.23 112.234 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -65.63 161.65 20.01 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.949 0.88 . . . . 71.41 113.276 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -24.42 54.36 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.675 -1.148 . . . . 73.44 111.142 -178.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -91.28 179.13 5.78 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.828 -0.623 . . . . 70.44 112.018 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -108.07 132.6 53.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.455 -0.338 . . . . 72.2 111.065 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.49 ' HA ' HG22 ' A' ' 51' ' ' ILE . 67.2 mt -74.68 108.22 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.77 0.319 . . . . 74.22 111.383 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.81 HH11 HD22 ' A' ' 5' ' ' LEU . 35.8 ttt180 -80.93 -30.71 35.27 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.144 0.497 . . . . 71.53 110.351 177.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.561 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 87.3 m -159.6 132.83 6.99 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.03 -0.532 . . . . 74.42 111.147 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.741 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.4 tp -132.56 128.72 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 120.797 0.332 . . . . 75.22 110.176 173.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -135.4 104.74 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 120.93 0.395 . . . . 64.31 111.359 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.689 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.7 tt -114.7 129.17 56.65 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 110.083 -0.34 . . . . 73.43 110.083 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -138.46 139.51 38.87 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.755 0.312 . . . . 74.31 111.229 176.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -101.93 122.59 44.32 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.279 0.562 . . . . 71.02 111.521 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.508 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -140.35 142.13 35.6 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.882 -0.599 . . . . 61.55 110.593 178.629 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.67 12.74 9.0 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.147 0.498 . . . . 73.44 111.515 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.27 1.09 64.87 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 121.316 -0.469 . . . . 63.12 113.213 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.8 mt -123.16 161.64 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 109.635 -0.506 . . . . 72.13 109.635 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 34.8 p90 -124.68 148.86 47.73 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.999 -0.438 . . . . 72.43 111.772 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.462 ' HB ' HG22 ' A' ' 11' ' ' VAL . 2.3 t -122.27 114.13 20.39 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.078 -0.51 . . . . 43.44 111.065 174.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.741 ' SG ' HD11 ' A' ' 36' ' ' ILE . 51.9 t -95.54 114.28 26.03 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.355 -0.384 . . . . 73.44 110.95 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.424 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.4 m-20 -99.58 106.68 18.69 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.318 -0.401 . . . . 63.22 110.737 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 8' ' ' ILE . 56.0 tp -98.41 129.82 45.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.952 0.406 . . . . 62.52 112.05 -177.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.561 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 66.5 mmm -121.81 111.94 17.75 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.922 0.392 . . . . 61.53 110.983 176.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.49 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.3 pp -141.42 159.29 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.27 -0.423 . . . . 65.22 111.822 -176.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.414 ' CE2' ' HD2' ' A' ' 34' ' ' ARG . 22.0 m-85 -88.95 135.25 33.64 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.828 0.347 . . . . 74.34 111.667 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.6 m -133.68 150.03 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 116.512 -0.313 . . . . 43.22 111.182 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -59.49 -43.67 93.26 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.011 0.434 . . . . 72.12 111.562 175.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.422 ' HA ' ' HE2' ' A' ' 4' ' ' PHE . 2.3 p-10 -166.1 167.24 16.53 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.212 -0.449 . . . . 63.02 111.083 178.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.9 p -51.59 -33.66 33.73 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.568 0.951 . . . . 62.13 113.568 -172.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.15 -45.1 83.86 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.599 0.714 . . . . 74.22 110.828 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -58.71 -40.64 84.26 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.511 -0.768 . . . . 62.22 111.232 174.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.476 HD22 ' HB1' ' A' ' 6' ' ' ALA . 53.7 tp -65.64 -44.94 84.9 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.954 -0.566 . . . . 62.5 111.932 -178.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.2 p -60.93 -36.02 78.23 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.83 0.348 . . . . 61.51 111.272 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.7 m -57.36 -44.94 84.78 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.292 -0.413 . . . . 75.14 111.504 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.8 mt -60.63 -48.3 82.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.894 0.378 . . . . 74.51 111.508 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.631 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 74.4 mtm -55.35 -43.5 75.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.399 -0.364 . . . . 73.21 111.282 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.64 -46.29 84.37 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.971 0.415 . . . . 72.51 110.814 176.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -55.98 -33.13 64.54 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.116 -0.493 . . . . 72.13 111.37 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.806 HD13 HD11 ' A' ' 10' ' ' ILE . 41.0 mt -80.53 -26.61 37.98 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.23 -0.441 . . . . 75.24 111.942 177.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.631 ' HG3' ' O ' ' A' ' 63' ' ' MET . 80.7 mtp180 -70.63 -7.95 48.09 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.94 0.4 . . . . 74.32 111.678 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.421 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 11.1 mmpt? -72.71 -18.36 61.54 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.555 0.576 . . . . 64.22 112.555 -178.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.425 HG21 HD13 ' A' ' 22' ' ' ILE . 93.6 t -79.76 116.78 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.986 0.422 . . . . 72.31 111.658 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -52.25 -32.73 38.44 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.245 0.832 . . . . 74.34 113.245 -177.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.58 -21.76 79.36 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.148 -0.548 . . . . 43.12 113.901 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.2 t -85.15 139.8 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 117.334 0.567 . . . . 61.24 112.075 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -122.56 -11.4 8.27 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.393 0.516 . . . . 70.11 112.393 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.633 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 7.6 p -132.59 119.41 20.44 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.096 0.474 . . . . 72.45 111.297 175.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.71 105.91 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.221 -0.445 . . . . 74.25 109.809 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -136.82 154.32 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.673 0.62 . . . . 75.41 112.673 -174.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HG3' HD21 ' A' ' 59' ' ' LEU . 42.1 ttp85 -80.71 142.63 33.68 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.415 -0.811 . . . . 74.43 111.718 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.69 116.87 29.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.338 -0.392 . . . . 75.43 110.627 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.1 p -82.93 -59.59 2.44 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.883 0.373 . . . . 71.24 111.739 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.16 119.42 26.42 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.204 -0.453 . . . . 61.42 111.508 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.5 mt . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 121.092 0.472 . . . . 64.02 111.825 179.502 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 4.2 m-20 . . . . . 0 CA--C 1.541 0.617 0 N-CA-C 112.393 0.516 . . . . 70.23 112.393 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -123.93 154.49 39.68 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.16 -0.473 . . . . 70.24 109.793 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.3 tp -75.94 103.89 6.22 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.257 0.551 . . . . 71.42 111.419 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.18 151.66 19.6 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.887 -0.597 . . . . 75.52 111.944 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.47 129.58 6.29 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 121.375 -0.44 . . . . 74.44 113.098 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.541 HD12 HD23 ' B' ' 49' ' ' LEU . 45.9 mt -115.07 148.7 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 120.72 0.295 . . . . 44.12 111.367 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.403 ' NE ' HG23 ' B' ' 11' ' ' VAL . 2.5 tmm_? -120.96 118.18 29.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.707 0.289 . . . . 73.42 110.488 178.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.536 HD11 HD13 ' B' ' 66' ' ' LEU . 39.2 mt -118.43 118.49 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-N 116.522 -0.308 . . . . 52.05 111.303 -175.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.553 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 81.0 t -118.34 116.85 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.405 0.622 . . . . 63.23 111.569 176.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.94 167.16 24.96 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.552 -0.749 . . . . 73.34 112.685 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -76.84 143.27 39.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.736 0.643 . . . . 54.41 112.736 -176.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.13 83.51 0.34 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.019 -0.537 . . . . 75.31 112.318 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -104.15 163.26 12.52 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.615 0.969 . . . . 54.41 113.615 172.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -40.37 -35.57 0.44 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 113.561 -1.654 . . . . 40.23 114.488 -175.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -136.91 7.67 3.84 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.68 -0.772 . . . . 70.42 113.907 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.554 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 25.8 mmm -62.31 -51.01 69.35 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.364 0.505 . . . . 72.11 112.364 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 47.1 p -60.72 -36.05 77.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.883 0.373 . . . . 65.14 111.736 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -72.43 -45.64 58.7 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.135 0.493 . . . . 73.2 110.797 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.453 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.5 pt20 -69.47 -34.09 73.84 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.952 -0.567 . . . . 74.44 111.646 -176.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.404 ' O ' HG13 ' B' ' 26' ' ' ILE . 9.5 mm -62.29 -53.95 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 111.938 0.347 . . . . 65.02 111.938 -178.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' THR . . . . . 0.469 HG21 HG21 ' A' ' 23' ' ' THR . 4.2 m -73.44 -27.71 61.57 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.222 0.534 . . . . 73.11 110.265 178.682 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.5 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -61.72 -44.04 98.44 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.8 -0.636 . . . . 52.53 112.802 174.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 21' ' ' GLN . 73.2 t -68.62 -35.85 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 122.443 -0.445 . . . . 55.45 110.964 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.437 HG21 HD13 ' B' ' 49' ' ' LEU . 74.3 mt -59.31 -44.76 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 121.036 0.445 . . . . 74.22 111.474 175.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 55.5 p -60.94 -22.5 64.47 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.709 0.29 . . . . 64.51 111.295 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 61.0 mttp -82.89 3.81 28.21 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.524 0.565 . . . . 72.52 112.524 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -74.67 167.34 21.97 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.256 0.551 . . . . 72.32 112.112 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.76 -23.41 61.59 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.372 0.606 . . . . 71.33 111.239 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' THR . . . . . 0.541 HG21 HD13 ' B' ' 51' ' ' ILE . 7.8 t -91.85 156.57 17.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.731 -0.668 . . . . 72.23 112.396 -173.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -95.28 117.35 30.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.902 -0.59 . . . . 73.22 111.193 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.454 ' HA ' HG22 ' B' ' 51' ' ' ILE . 64.4 mt -52.85 108.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 116.104 -0.498 . . . . 72.42 111.571 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -83.4 -40.49 19.28 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.352 0.596 . . . . 61.4 110.307 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 88.5 m -152.16 132.35 13.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.743 -0.662 . . . . 70.21 110.702 173.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.689 HG22 ' HB3' ' A' ' 38' ' ' LEU . 9.8 tp -134.68 135.16 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.89 0.376 . . . . 61.03 110.522 176.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 85.4 t -127.7 145.35 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.344 -0.389 . . . . 65.22 110.584 178.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.508 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.1 tt -144.29 110.61 5.51 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.491 -0.559 . . . . 74.22 109.491 170.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 1.3 p-10 -124.46 119.7 29.91 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.428 0.632 . . . . 74.34 111.703 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.567 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -104.56 132.3 50.96 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.439 -0.8 . . . . 74.33 111.952 -178.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.444 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -144.65 145.57 31.82 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.966 -0.561 . . . . 70.25 111.162 175.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 73.66 -32.24 0.24 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.62 0.768 . . . . 63.1 112.784 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.99 1.52 1.32 Allowed Glycine 0 CA--C 1.529 0.907 0 N-CA-C 112.176 -0.37 . . . . 70.34 112.176 -172.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 mt -126.36 155.97 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.081 0.552 . . . . 61.33 110.129 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.567 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 40.6 p90 -126.38 145.46 50.45 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.182 0.515 . . . . 54.02 111.546 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.517 ' HB ' HG22 ' B' ' 11' ' ' VAL . 0.9 OUTLIER -116.28 108.48 16.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.278 0.561 . . . . 72.22 111.581 174.5 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.582 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.6 t -89.03 123.07 33.0 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.31 -0.404 . . . . 74.43 111.292 176.06 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.537 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 23.2 m-80 -104.74 112.15 25.14 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.818 0.342 . . . . 74.24 110.863 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.541 HD23 HD12 ' B' ' 8' ' ' ILE . 43.2 tp -99.11 126.0 44.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.058 0.392 . . . . 74.14 112.058 -177.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.454 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 62.0 mmm -123.29 106.96 11.15 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.959 0.409 . . . . 64.21 111.357 176.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.541 HD13 HG21 ' B' ' 31' ' ' THR . 2.7 pp -146.15 172.54 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.187 -0.46 . . . . 52.22 111.621 -177.101 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -97.01 136.12 38.03 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.059 0.457 . . . . 72.45 112.013 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 11.1 m -128.1 141.35 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.627 177.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.433 ' HE3' ' HB2' ' B' ' 54' ' ' LYS . 20.7 ptmt -68.37 -24.63 64.81 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.336 0.495 . . . . 72.41 112.336 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.433 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 11.7 p30 -165.97 163.24 18.42 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.007 0.373 . . . . 63.55 112.007 178.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -55.16 -35.28 64.6 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.214 0.82 . . . . 74.13 113.214 -175.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.88 -36.91 85.89 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.222 0.534 . . . . 63.12 110.548 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 51.2 tptt -58.02 -44.4 87.26 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.986 -0.552 . . . . 70.2 110.711 173.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.04 -47.56 84.17 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.03 -0.532 . . . . 74.35 111.26 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' THR . . . . . 0.446 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 81.8 p -65.58 -28.32 69.06 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.925 0.393 . . . . 52.12 111.224 178.315 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 84.9 m -67.2 -41.22 86.19 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.916 0.389 . . . . 71.25 110.729 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.8 -39.45 88.98 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.158 -0.474 . . . . 73.42 111.11 176.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.605 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 64.0 mtt -51.04 -54.86 20.96 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.234 -0.439 . . . . 74.05 110.868 176.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -55.93 -43.21 77.19 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.926 -0.579 . . . . 71.52 111.284 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -58.44 -37.01 74.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.217 0.532 . . . . 73.12 111.158 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.536 HD13 HD11 ' B' ' 10' ' ' ILE . 54.8 mt -79.3 -29.33 42.39 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.888 -0.596 . . . . 72.15 111.513 178.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' B' ' 63' ' ' MET . 70.7 mtp180 -73.74 -9.58 58.8 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.78 0.289 . . . . 74.04 111.78 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -72.32 -14.36 61.72 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 111.887 0.329 . . . . 72.23 111.887 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 50.5 t -82.22 120.63 34.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.073 0.463 . . . . 71.1 111.444 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -56.35 -34.71 66.87 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.772 0.656 . . . . 64.04 112.772 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.554 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -75.76 -16.28 80.76 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 114.344 0.497 . . . . 61.35 114.344 -175.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.425 HG23 ' HE1' ' B' ' 18' ' ' MET . 59.0 t -91.16 145.89 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 117.672 0.736 . . . . 74.12 111.462 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.41 -27.29 4.46 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.248 0.462 . . . . 63.14 112.248 174.315 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.553 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.3 p -118.85 126.29 51.47 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.083 0.401 . . . . 74.43 112.083 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.448 HG21 ' HG2' ' B' ' 67' ' ' ARG . 97.3 t -133.8 104.79 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 109.842 -0.429 . . . . 74.21 109.842 174.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -124.07 164.43 19.43 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.584 0.706 . . . . 63.11 112.812 -169.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.44 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 24.1 ttp85 -101.46 117.53 35.13 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.506 -0.77 . . . . 70.23 110.664 173.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.66 -53.89 29.08 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.083 0.401 . . . . 74.4 112.083 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' SER . . . . . 0.412 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 28.5 p 65.37 -62.42 0.22 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.887 0.875 . . . . 75.24 112.137 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -60.8 103.75 0.29 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.924 0.392 . . . . 74.11 111.096 174.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 79' ' ' SER . 78.8 mt . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 121.061 0.458 . . . . 63.54 111.868 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 6' ' ' ALA . 53.3 p90 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 121.164 0.507 . . . . 74.03 110.973 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 tp -80.85 103.05 10.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.776 -0.647 . . . . 64.3 110.462 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.499 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -93.09 138.56 31.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.858 -0.61 . . . . 41.42 111.896 -176.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.28 147.51 18.92 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 121.118 -0.563 . . . . 75.14 113.192 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.4 mt -133.32 140.09 47.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 O-C-N 122.663 -0.316 . . . . 61.05 110.503 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.435 ' HB2' HD21 ' A' ' 78' ' ' LEU . 79.6 ttt180 -116.18 122.99 46.68 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.131 -0.355 . . . . 74.02 110.947 175.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.525 HD11 HD13 ' A' ' 66' ' ' LEU . 34.2 mt -111.27 116.77 53.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 116.326 -0.397 . . . . 62.34 110.878 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.627 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 69.3 t -121.03 117.87 54.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 121.773 0.797 . . . . 64.12 111.306 176.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.47 164.48 27.69 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 115.335 -0.848 . . . . 75.05 112.036 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.85 135.41 46.6 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 117.141 0.471 . . . . 72.32 111.27 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.22 90.9 0.15 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.013 0.435 . . . . 75.24 111.52 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.587 ' O ' ' N ' ' A' ' 17' ' ' GLY . 31.5 mmmt -103.35 127.79 50.6 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.324 -0.398 . . . . 74.14 111.672 176.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 47.97 -73.94 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.675 0 O-C-N 124.327 1.017 . . . . 72.53 113.377 164.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -155.15 34.55 0.66 Allowed Glycine 0 CA--C 1.527 0.83 0 CA-C-N 115.498 -0.774 . . . . 73.23 112.357 -177.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.56 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 67.9 mtp -64.71 -43.99 91.68 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.497 -0.413 . . . . 75.12 111.801 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.3 p -53.37 -29.89 36.77 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.059 0.457 . . . . 51.31 111.351 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.555 ' HA ' HD12 ' B' ' 33' ' ' ILE . 12.0 m120 -77.08 -49.54 15.08 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.123 -0.49 . . . . 50.53 111.217 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.56 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.7 pt20 -69.88 -38.73 76.46 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.314 -0.403 . . . . 74.4 111.662 -177.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.469 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 13.2 mm -55.84 -54.39 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 121.08 0.466 . . . . 72.53 111.603 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 m -74.74 -27.75 60.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.537 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.27 -48.51 85.61 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.182 -0.532 . . . . 52.43 112.568 174.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 21' ' ' GLN . 66.8 t -60.14 -39.38 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 120.915 0.388 . . . . 50.3 110.995 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.476 HG21 HD13 ' A' ' 49' ' ' LEU . 72.4 mt -60.22 -40.82 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 116.162 -0.472 . . . . 50.31 111.506 175.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.512 ' HB3' ' O ' ' B' ' 20' ' ' ASN . 4.7 m -52.9 -41.23 64.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.353 0.596 . . . . 55.22 111.463 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' NZ ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -97.63 26.77 4.77 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.587 -0.733 . . . . 70.51 112.381 -176.339 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -75.73 168.99 18.99 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.681 0.753 . . . . 62.45 112.12 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.474 ' HB3' ' NZ ' ' A' ' 58' ' ' LYS . 38.3 t70 -85.54 35.31 0.6 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.341 -0.845 . . . . 52.41 110.833 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.5 t -153.69 157.92 40.26 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.107 0.479 . . . . 71.21 111.583 175.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -91.28 118.17 30.27 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.897 0.379 . . . . 61.54 112.005 -176.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.484 ' HA ' HG22 ' A' ' 51' ' ' ILE . 61.3 mt -59.79 109.93 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.516 -0.311 . . . . 60.42 111.042 177.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -34.45 15.51 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.215 0.531 . . . . 71.34 110.568 177.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.548 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 16.3 m -153.97 147.61 25.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 74.2 110.199 175.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.594 HG22 ' HB3' ' B' ' 38' ' ' LEU . 19.6 tt -160.99 135.42 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.062 0.458 . . . . 72.04 111.373 174.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.469 HG13 HG22 ' B' ' 37' ' ' VAL . 60.4 t -133.85 105.11 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 116.216 -0.447 . . . . 53.24 111.363 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.557 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.0 tt -106.05 134.03 49.83 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 110.192 -0.299 . . . . 71.41 110.192 175.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -147.85 134.57 19.97 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.976 0.417 . . . . 71.13 110.975 173.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.706 ' HB3' ' HD3' ' B' ' 34' ' ' ARG . . . -99.76 128.59 45.85 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.046 0.45 . . . . 74.44 111.346 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -148.84 146.74 28.11 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.876 -0.602 . . . . 75.33 110.917 -175.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 57.85 26.59 13.44 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.362 0.601 . . . . 64.32 111.975 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.06 -11.21 70.07 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 121.996 -0.44 . . . . 73.32 113.141 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.443 HG22 ' H ' ' A' ' 45' ' ' PHE . 1.9 mt -108.65 178.46 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 122.791 0.436 . . . . 55.14 109.986 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 38.9 p90 -142.06 149.28 39.72 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 122.042 -0.411 . . . . 75.34 110.862 169.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 5.1 t -124.72 109.75 13.51 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.125 0.488 . . . . 61.44 111.208 175.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 38' ' ' LEU . 51.0 t -98.64 112.83 24.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.185 -0.461 . . . . 63.42 111.09 177.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.464 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 2.8 m-20 -98.28 109.03 21.85 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.342 -0.39 . . . . 73.21 111.233 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.476 HD13 HG21 ' A' ' 26' ' ' ILE . 50.1 tp -98.18 137.85 36.33 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.834 0.349 . . . . 73.23 111.893 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.548 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 67.7 mmm -129.68 111.89 13.12 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 116.412 -0.358 . . . . 71.32 111.12 176.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.484 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.7 pp -142.48 160.66 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-N 116.419 -0.355 . . . . 73.01 111.744 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -92.83 142.08 27.72 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.349 0.5 . . . . 72.32 112.349 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 m -142.12 152.85 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 115.859 -0.61 . . . . 42.54 110.838 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 12.9 ptmm? -73.37 -38.74 65.58 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.286 0.476 . . . . 73.45 112.286 176.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.476 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -157.17 162.19 39.34 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 111.729 0.27 . . . . 64.43 111.729 179.629 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.9 p -55.6 -33.01 63.57 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.826 1.047 . . . . 64.21 113.826 -171.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.3 -37.71 75.58 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.711 0.767 . . . . 72.13 110.472 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.474 ' NZ ' ' HB3' ' A' ' 30' ' ' ASP . 50.4 tptt -63.03 -39.91 96.15 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.93 -1.032 . . . . 64.35 111.219 175.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.499 HD22 ' HB1' ' A' ' 6' ' ' ALA . 67.7 tp -70.57 -46.49 63.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.94 0.4 . . . . 53.5 111.968 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.8 p -59.51 -28.34 66.97 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.406 -0.361 . . . . 72.31 111.75 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 96.8 m -59.34 -41.73 89.86 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.986 0.422 . . . . 74.13 111.018 175.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.63 -40.09 92.16 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.049 -0.523 . . . . 52.35 111.409 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.418 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 60.0 mtt -51.67 -52.43 48.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.135 0.493 . . . . 75.33 110.948 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.91 -44.29 86.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.772 -0.649 . . . . 62.44 111.101 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 61' ' ' THR . 8.2 mtpm? -58.06 -37.07 73.74 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.102 0.477 . . . . 75.24 111.702 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.525 HD13 HD11 ' A' ' 10' ' ' ILE . 54.9 mt -79.44 -30.95 42.45 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.106 0.479 . . . . 74.22 111.577 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 63' ' ' MET . 86.6 mtt180 -71.8 -6.83 44.41 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.305 0.484 . . . . 74.11 112.305 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -72.07 -16.54 62.03 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.934 0.346 . . . . 73.0 111.934 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.427 HG12 ' H ' ' A' ' 71' ' ' GLY . 94.6 t -76.42 119.53 24.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 121.451 0.643 . . . . 71.54 111.939 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -51.55 -30.27 20.05 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.746 1.017 . . . . 72.22 113.746 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.427 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -95.05 -5.49 60.82 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 114.627 0.611 . . . . 64.34 114.627 -174.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.4 t -94.51 133.48 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 117.955 0.877 . . . . 65.41 111.581 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -117.57 -8.96 10.88 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.727 0.64 . . . . 71.42 112.727 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.627 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.6 p -135.19 124.29 24.36 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.159 0.504 . . . . 61.12 111.676 175.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 66' ' ' LEU . 52.7 t -140.48 103.1 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 109.279 -0.637 . . . . 64.12 109.279 171.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -134.31 167.59 20.43 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.335 0.494 . . . . 74.22 112.335 -171.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 ttp85 -88.87 136.14 33.17 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.407 0.622 . . . . 74.23 111.945 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.435 HD21 ' HB2' ' A' ' 9' ' ' ARG . 98.0 mt -88.39 114.79 25.37 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.829 -0.623 . . . . 74.03 110.474 173.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.1 p -85.25 -65.35 1.02 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.061 0.458 . . . . 72.53 111.465 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -75.22 98.43 3.76 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.224 -0.444 . . . . 54.43 111.05 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 112.483 0.549 . . . . 72.42 112.483 -174.788 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 121.16 0.505 . . . . 62.2 111.21 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -129.97 154.76 47.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.84 -0.429 . . . . 61.34 109.84 175.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 46.0 tp -79.56 102.98 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.321 0.581 . . . . 74.55 110.806 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.434 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -94.96 142.79 27.06 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.682 -0.69 . . . . 75.01 111.86 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.34 136.8 13.13 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 121.381 -0.438 . . . . 73.41 112.828 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.62 HD12 HD23 ' B' ' 49' ' ' LEU . 48.7 mt -124.04 143.89 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 121.015 0.436 . . . . 72.42 111.118 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -117.55 117.8 30.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.924 0.392 . . . . 75.5 110.902 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' B' ' 46' ' ' THR . 40.9 mt -112.02 117.75 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 116.285 -0.416 . . . . 51.53 111.075 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.593 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 50.4 t -122.15 113.77 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 121.442 0.639 . . . . 72.42 111.415 176.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.72 172.19 23.45 Favored Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.471 -0.786 . . . . 21.23 112.498 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.56 134.98 43.89 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.216 0.531 . . . . 65.41 112.211 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -70.1 117.63 11.92 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.339 -0.391 . . . . 74.11 110.947 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.463 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 47.9 mtpt -143.17 174.9 10.29 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.891 1.071 . . . . 72.43 113.891 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -31.57 -36.72 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 113.424 -1.716 . . . . 74.42 115.158 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.41 29.97 0.46 Allowed Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.628 -0.796 . . . . 63.42 113.343 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.463 ' HG2' ' HB2' ' B' ' 15' ' ' LYS . 48.8 mmm -73.43 -50.97 18.97 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.37 0.507 . . . . 73.51 112.37 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -63.55 -27.07 69.01 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.316 0.579 . . . . 64.43 110.726 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.512 ' O ' ' HB3' ' A' ' 27' ' ' SER . 15.0 m120 -76.04 -48.52 20.58 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.582 -0.736 . . . . 61.44 111.048 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.0 pt20 -66.29 -39.42 89.37 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.847 0.356 . . . . 64.42 111.706 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.508 ' O ' HG12 ' B' ' 26' ' ' ILE . 13.2 mm -59.19 -54.12 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 112.485 0.55 . . . . 63.15 112.485 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 22.4 m -70.6 -27.37 64.04 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.107 0.479 . . . . 71.52 110.728 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.9 -45.57 96.29 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.128 -0.558 . . . . 73.32 111.911 171.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 21' ' ' GLN . 92.5 t -62.34 -34.35 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 120.824 0.345 . . . . 73.31 111.327 175.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.78 HD12 HD22 ' B' ' 49' ' ' LEU . 49.9 mm -58.53 -44.32 88.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-O 120.94 0.4 . . . . 63.31 111.331 176.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 54.8 p -63.61 -21.47 66.38 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.955 0.407 . . . . 63.41 111.467 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' B' ' 25' ' ' VAL . 26.7 mtpp -79.87 -4.88 54.16 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 116.2 -0.454 . . . . 73.33 112.081 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -69.38 169.21 12.8 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.025 0.75 . . . . 73.3 113.025 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.24 -12.48 60.0 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.396 -0.82 . . . . 65.21 111.597 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -115.77 172.19 7.29 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.142 0.793 . . . . 73.43 113.142 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ASN . . . . . 0.493 ' O ' HG22 ' B' ' 51' ' ' ILE . 22.6 t-20 -97.87 129.77 44.8 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.564 -0.744 . . . . 74.14 111.572 -174.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 20' ' ' ASN . 66.6 mt -69.81 98.81 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.028 0.442 . . . . 72.4 110.976 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ARG . . . . . 0.706 ' HD3' ' HB3' ' A' ' 40' ' ' ALA . 5.4 tpp180 -83.45 -30.59 27.14 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.267 0.556 . . . . 54.12 110.738 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.558 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 9.7 m -156.77 148.6 22.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.862 -0.608 . . . . 63.53 110.267 173.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.557 HG22 ' HB3' ' A' ' 38' ' ' LEU . 17.4 tt -157.23 133.29 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-O 120.956 0.408 . . . . 70.2 111.38 173.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.469 HG22 HG13 ' A' ' 37' ' ' VAL . 77.1 t -130.0 104.38 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 116.269 -0.423 . . . . 73.31 111.433 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.594 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.8 tt -110.16 131.69 54.83 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.211 -0.305 . . . . 70.01 110.658 177.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -147.96 145.71 28.68 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.551 -0.295 . . . . 74.42 110.668 173.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -114.45 120.23 39.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.193 0.521 . . . . 73.11 111.723 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.84 152.27 46.36 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.999 -0.546 . . . . 64.33 110.112 176.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 63.53 16.7 9.82 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 112.082 0.401 . . . . 71.11 112.082 -178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.25 12.79 81.79 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 121.136 -0.554 . . . . 62.22 112.801 -175.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.1 mt -131.37 155.58 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 122.952 0.501 . . . . 62.32 109.723 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.499 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.4 p90 -124.23 145.8 49.13 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.943 -0.473 . . . . 71.31 111.39 179.213 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 2.5 t -120.27 108.87 14.7 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.146 -0.479 . . . . 51.43 111.009 174.18 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' CYS . . . . . 0.439 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.2 t -95.84 105.72 17.76 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.144 0.497 . . . . 51.22 111.459 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 14.5 m120 -83.32 107.81 16.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.964 -0.562 . . . . 61.41 110.999 176.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.78 HD22 HD12 ' B' ' 26' ' ' ILE . 57.1 tp -98.68 134.55 41.44 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.857 0.36 . . . . 55.04 111.855 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.558 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 65.8 mmm -126.05 110.82 13.99 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.958 0.409 . . . . 73.22 110.908 175.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.493 HG22 ' O ' ' B' ' 32' ' ' ASN . 2.3 pp -140.55 164.42 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 116.221 -0.445 . . . . 53.21 111.632 -177.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -97.17 130.76 44.38 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 120.752 0.311 . . . . 71.21 111.752 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.408 HG21 ' HB2' ' B' ' 59' ' ' LEU . 3.5 m -131.92 148.2 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 120.974 0.416 . . . . 55.1 111.247 177.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -74.91 -35.49 62.21 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.558 0.577 . . . . 74.11 112.558 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -136.7 151.16 48.95 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 122.178 -0.326 . . . . 63.14 111.103 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.9 p -62.34 -20.21 64.15 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.999 0.428 . . . . 74.14 110.969 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.36 -41.43 73.12 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.655 0.74 . . . . 74.31 109.629 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -59.6 -37.83 79.62 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.995 -1.002 . . . . 72.34 110.765 173.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.434 HD13 ' HB1' ' B' ' 6' ' ' ALA . 50.1 tp -67.98 -48.45 65.76 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.953 -0.567 . . . . 54.44 111.629 178.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 69.4 p -60.51 -40.06 90.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.725 0.298 . . . . 73.31 110.84 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 85.6 m -53.06 -45.52 68.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.082 -0.508 . . . . 74.21 111.527 175.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 47.5 mt -59.91 -47.56 85.26 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.845 0.355 . . . . 75.43 111.476 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.519 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 79.5 mtm -59.43 -39.33 83.17 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.5 -0.318 . . . . 52.2 111.179 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.24 -47.91 82.06 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.027 0.442 . . . . 73.13 111.206 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' B' ' 65' ' ' LYS . 8.6 mtpm? -54.86 -40.29 69.52 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.921 -0.581 . . . . 73.31 111.578 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.547 ' HB2' HG11 ' B' ' 75' ' ' VAL . 67.1 mt -75.17 -29.68 60.5 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.979 -0.555 . . . . 73.41 111.87 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' B' ' 63' ' ' MET . 98.8 mtt180 -70.92 -8.29 51.92 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 120.719 0.295 . . . . 75.53 111.74 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -83.43 2.83 34.7 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.063 0.459 . . . . 75.14 111.361 176.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.422 HG12 ' H ' ' B' ' 71' ' ' GLY . 62.9 t -88.62 116.74 30.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 116.352 -0.385 . . . . 71.14 110.782 176.068 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -64.99 -13.71 58.42 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.729 0.64 . . . . 53.12 112.729 -173.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.448 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -93.46 -10.85 58.89 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 121.042 -0.599 . . . . 43.21 113.811 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 94.8 t -105.07 134.03 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 O-C-N 122.252 -0.557 . . . . 62.23 111.691 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.9 -16.36 13.56 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.542 0.571 . . . . 75.21 112.542 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.593 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.1 p -132.4 123.62 27.09 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.166 0.507 . . . . 72.52 111.825 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.547 HG11 ' HB2' ' B' ' 66' ' ' LEU . 25.4 t -136.01 103.5 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.95 -0.759 . . . . 73.21 108.95 171.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -133.99 160.16 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.273 0.558 . . . . 55.14 112.165 -168.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -83.48 148.86 26.99 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.881 -0.599 . . . . 70.52 112.143 -176.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.5 mt -104.0 128.66 51.57 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.027 -0.533 . . . . 71.21 110.814 175.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 79.3 p -97.83 -39.84 8.82 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.924 0.392 . . . . 71.42 111.662 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -101.07 129.78 47.0 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.954 0.407 . . . . 65.1 111.18 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 120.884 0.373 . . . . 73.35 111.537 -177.887 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 121.077 0.465 . . . . 75.25 110.641 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 23.2 m -82.16 157.55 23.97 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.175 -0.466 . . . . 71.13 111.651 -176.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.518 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 14.2 t70 -172.42 121.05 0.42 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.014 0.435 . . . . 75.22 110.122 172.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -132.08 157.94 42.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.134 0.492 . . . . 74.43 111.403 -175.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 51' ' ' ILE . 58.9 tp -79.13 102.69 8.6 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.87 -0.604 . . . . 73.23 110.578 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.511 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -93.71 128.72 40.05 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.88 -0.6 . . . . 71.12 112.112 -177.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.33 144.06 15.74 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.294 -0.412 . . . . 53.34 113.008 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.5 mt -133.0 138.84 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 122.626 0.37 . . . . 61.45 110.973 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -116.49 119.23 34.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.165 0.507 . . . . 72.11 111.525 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.627 HD11 HD13 ' A' ' 66' ' ' LEU . 43.6 mt -113.4 120.0 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.826 -0.624 . . . . 71.23 111.286 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.601 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.7 t -118.46 117.18 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 121.504 0.669 . . . . 74.54 111.193 173.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.53 169.19 23.89 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.578 -0.737 . . . . 62.32 112.153 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -73.2 131.16 41.67 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.096 0.474 . . . . 74.42 111.725 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.04 85.59 0.05 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.465 0.65 . . . . 71.53 110.951 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 17' ' ' GLY . 13.9 mttp -106.67 159.14 16.43 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 114.38 1.252 . . . . 73.33 114.38 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.06 73.99 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 112.805 -1.998 . . . . 74.21 112.212 174.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . 133.56 -22.9 3.86 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 115.473 -0.785 . . . . 73.43 114.037 173.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.502 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 49.5 mmm -55.24 -51.44 66.61 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.939 0.718 . . . . 74.14 112.939 -176.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -57.37 -31.44 65.78 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.003 0.371 . . . . 62.04 112.003 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -76.33 -48.54 19.67 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.06 0.457 . . . . 74.45 110.92 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.1 pt20 -66.93 -37.5 84.45 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.063 -0.517 . . . . 44.21 111.661 -176.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.439 HG13 ' HZ ' ' A' ' 45' ' ' PHE . 12.3 mm -59.37 -54.24 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 112.495 0.554 . . . . 64.04 112.495 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.3 m -73.9 -27.42 61.04 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.213 0.53 . . . . 72.24 110.503 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.81 -39.0 96.18 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 121.219 -0.515 . . . . 74.34 112.355 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 21' ' ' GLN . 64.5 t -67.09 -40.38 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.873 0.368 . . . . 52.54 111.198 174.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.487 HG21 HD13 ' A' ' 49' ' ' LEU . 70.8 mt -55.13 -46.31 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.061 -0.518 . . . . 74.34 112.099 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.3 p -59.39 -20.88 58.29 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.984 0.365 . . . . 61.32 111.984 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -80.27 -5.57 56.46 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.541 0.571 . . . . 74.51 112.541 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -70.57 166.89 19.65 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.313 0.578 . . . . 54.24 112.439 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -84.36 11.51 8.32 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.063 -0.517 . . . . 64.23 111.825 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 t -124.65 155.86 38.49 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.135 0.493 . . . . 73.03 112.209 -175.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -90.58 130.44 36.61 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.137 -0.483 . . . . 71.41 111.691 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.501 ' HA ' HG22 ' A' ' 51' ' ' ILE . 66.6 mt -68.07 113.1 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.051 -0.522 . . . . 70.11 111.269 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -88.4 -35.61 17.02 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.33 0.586 . . . . 73.42 110.387 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 89.7 m -158.15 132.28 8.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.67 -0.695 . . . . 73.3 110.884 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.727 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.1 tp -131.64 128.17 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 110.189 -0.3 . . . . 72.32 110.189 175.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.584 HG22 HG13 ' B' ' 37' ' ' VAL . 62.5 t -130.23 103.4 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.962 0.41 . . . . 64.12 111.521 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.8 tt -110.37 130.32 55.58 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.804 -0.443 . . . . 73.54 109.804 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.443 ' HB3' HG23 ' B' ' 35' ' ' THR . 0.2 OUTLIER -151.79 139.26 19.54 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.092 0.473 . . . . 53.53 112.034 174.44 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -94.92 145.69 24.74 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.766 -0.652 . . . . 74.54 110.416 178.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -116.69 -74.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.931 0.872 . . . . 73.31 112.566 -171.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -136.9 80.91 1.84 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.849 -1.069 . . . . 54.12 110.236 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.71 -2.78 14.78 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 120.94 -0.648 . . . . 73.11 113.101 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -124.22 159.54 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 109.662 -0.496 . . . . 71.4 109.662 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.526 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 31.3 p90 -133.24 140.98 47.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 64.51 110.524 176.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.534 ' HB ' HG22 ' A' ' 11' ' ' VAL . 6.2 t -118.28 117.9 30.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.075 0.464 . . . . 75.42 111.408 174.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.727 ' SG ' HD11 ' A' ' 36' ' ' ILE . 45.3 t -105.63 124.21 49.18 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.049 -0.523 . . . . 30.32 111.075 176.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.407 ' O ' HD12 ' A' ' 36' ' ' ILE . 78.1 m-20 -105.74 117.0 32.89 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.636 0.255 . . . . 74.43 110.763 179.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 26' ' ' ILE . 52.7 tp -98.8 128.09 44.92 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.027 0.442 . . . . 71.42 111.921 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.474 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.3 mmm -120.58 109.66 15.51 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.1 -0.5 . . . . 72.14 110.847 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.501 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -140.08 176.57 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 116.002 -0.544 . . . . 62.0 111.523 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -109.6 143.99 38.54 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.059 0.457 . . . . 73.44 111.636 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 19.3 m -143.03 141.61 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 116.275 -0.42 . . . . 71.51 110.375 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 2' ' ' THR . 53.6 mttm -68.46 -45.88 71.27 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.58 0.705 . . . . 74.31 111.508 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -128.52 147.97 50.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.493 -0.776 . . . . 64.03 111.084 -170.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.9 p -61.62 -26.38 67.95 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.012 0.434 . . . . 60.52 111.184 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.01 -40.46 87.31 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.837 0.827 . . . . 65.31 109.739 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -59.45 -31.39 69.26 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.15 -0.932 . . . . 63.24 111.131 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.511 HD13 ' HB1' ' A' ' 6' ' ' ALA . 39.4 tp -76.56 -48.32 19.69 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.431 -0.349 . . . . 74.23 111.609 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -59.54 -30.63 68.75 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.133 0.492 . . . . 71.33 110.953 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 90.8 m -63.95 -39.4 94.07 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.789 -0.642 . . . . 71.34 111.501 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.83 -39.58 89.57 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.79 0.328 . . . . 72.22 111.137 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.614 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 56.8 mtt -54.75 -55.08 33.78 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.388 -0.369 . . . . 71.42 110.541 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -54.36 -36.38 63.79 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.883 -0.598 . . . . 74.55 111.627 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -65.54 -40.92 93.46 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.105 -0.498 . . . . 71.11 111.671 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.627 HD13 HD11 ' A' ' 10' ' ' ILE . 64.7 mt -77.34 -30.77 54.09 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.127 0.489 . . . . 62.41 111.836 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.614 ' HG3' ' O ' ' A' ' 63' ' ' MET . 76.3 mtp180 -71.27 -7.62 48.16 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.202 -0.454 . . . . 72.42 112.074 -178.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -71.51 -9.75 58.69 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.078 0.399 . . . . 72.24 112.078 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -92.46 118.32 37.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.215 0.531 . . . . 74.54 111.778 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -60.7 -28.42 68.63 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.709 -0.678 . . . . 74.01 112.498 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.31 -16.67 79.75 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.127 -0.559 . . . . 74.42 113.761 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 93.8 t -94.56 139.78 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 117.214 0.507 . . . . 70.31 111.405 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.16 -14.16 8.41 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.552 0.575 . . . . 74.13 112.552 177.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.601 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.6 p -131.26 124.0 29.58 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.803 -0.561 . . . . 72.43 111.644 175.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.2 t -132.06 103.32 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 116.138 -0.483 . . . . 53.33 109.781 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -124.27 165.68 17.21 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.627 0.602 . . . . 73.24 112.627 -170.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.522 ' HG3' HH11 ' A' ' 77' ' ' ARG . 15.8 ttt85 -97.49 132.82 42.82 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.876 -0.602 . . . . 75.43 111.424 174.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 98.4 mt -89.81 103.02 15.72 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.97 0.414 . . . . 50.31 110.72 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.1 p -81.38 -60.88 2.11 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.862 0.363 . . . . 75.24 111.504 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -69.86 105.15 2.69 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.326 0.584 . . . . 72.41 111.18 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.4 mt -108.22 149.21 28.87 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.284 0.564 . . . . 73.21 112.132 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -91.77 12.29 21.83 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.602 0.715 . . . . 63.13 110.922 175.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -85.54 86.43 7.37 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.85 -0.614 . . . . 71.22 111.775 -173.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -74.89 83.84 2.2 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.299 0.571 . . . . 74.31 111.008 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -99.71 96.88 7.91 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.949 -0.568 . . . . 74.22 110.766 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -138.4 -173.39 3.52 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.05 0.453 . . . . 75.11 111.736 -177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -128.46 136.64 51.1 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.308 -0.405 . . . . 63.13 110.43 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.789 -0.624 . . . . 63.22 111.459 -179.742 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.657 ' HG3' ' H ' ' B' ' 2' ' ' THR . 11.8 ptm . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 111.564 0.209 . . . . 72.23 111.564 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.657 ' H ' ' HG3' ' B' ' 1' ' ' MET . 12.6 t -74.33 -26.58 60.24 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.831 0.824 . . . . 73.42 109.448 171.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.558 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 11.5 p-10 -88.7 146.5 25.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.429 -1.26 . . . . 70.21 111.549 178.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -155.19 157.89 38.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.954 0.407 . . . . 72.23 110.836 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 43.8 tp -79.34 102.99 8.96 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.082 0.468 . . . . 72.03 111.139 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.435 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -93.61 148.16 22.35 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.179 -0.464 . . . . 61.42 111.526 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.77 141.38 14.94 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.308 -0.473 . . . . 75.51 113.5 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.484 HD12 HD23 ' B' ' 49' ' ' LEU . 48.3 mt -129.62 149.22 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 122.953 0.501 . . . . 63.42 110.162 176.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.552 ' HB3' ' HG3' ' B' ' 76' ' ' GLU . 43.7 ttt-85 -130.23 119.88 23.6 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.795 0.331 . . . . 64.13 110.7 177.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.599 HD11 HD13 ' B' ' 66' ' ' LEU . 43.6 mt -113.19 117.1 54.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 116.473 -0.331 . . . . 63.12 111.348 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.627 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 43.3 t -115.5 113.83 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.759 0.79 . . . . 64.0 111.066 174.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.44 171.67 22.48 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 115.277 -0.874 . . . . 55.32 112.018 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.46 132.13 46.47 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.28 0.562 . . . . 74.5 112.008 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -73.19 87.16 1.43 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.195 0.521 . . . . 62.43 111.961 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -105.21 156.11 18.42 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.757 1.021 . . . . 73.43 113.757 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -62.32 69.01 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 113.937 -1.483 . . . . 72.45 112.006 173.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.79 -36.51 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 CA-C-N 115.509 -0.769 . . . . 64.31 112.894 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.535 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 63.3 mmm -54.41 -51.12 65.91 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.736 0.643 . . . . 72.53 112.736 -179.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 75.5 p -58.49 -31.92 68.31 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.956 0.408 . . . . 53.11 111.812 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -76.53 -48.78 18.28 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.345 -0.389 . . . . 72.1 111.079 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.535 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 10.0 pt20 -65.73 -39.96 91.69 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.158 -0.474 . . . . 50.14 111.362 -177.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.419 HG13 ' CZ ' ' B' ' 45' ' ' PHE . 12.9 mm -60.08 -53.95 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 112.373 0.509 . . . . 74.44 112.373 -177.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 19.1 m -71.82 -27.12 62.7 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.115 0.483 . . . . 72.43 110.367 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.29 91.77 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 121.127 -0.559 . . . . 72.42 112.462 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 21' ' ' GLN . 95.1 t -59.12 -39.46 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.382 0.611 . . . . 45.41 110.928 174.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.474 HG21 HD13 ' B' ' 49' ' ' LEU . 71.5 mt -64.57 -43.74 96.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 115.945 -0.571 . . . . 73.42 112.008 177.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 84.5 p -65.72 -22.76 66.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.003 0.372 . . . . 64.52 112.003 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' B' ' 25' ' ' VAL . 20.5 ptmt -97.46 13.19 30.71 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 111.934 0.346 . . . . 72.24 111.934 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -66.33 179.2 1.02 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.696 0.76 . . . . 72.12 111.931 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -26.23 34.85 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.395 -0.82 . . . . 72.34 110.944 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.5 t -96.0 171.26 8.74 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.549 -0.75 . . . . 61.55 112.661 -173.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -99.95 131.97 45.59 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.308 -0.406 . . . . 54.54 111.268 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.464 ' HA ' HG22 ' B' ' 51' ' ' ILE . 58.5 mt -81.9 105.7 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.448 -0.342 . . . . 75.4 111.884 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.06 -23.34 22.57 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.99 -0.443 . . . . 73.14 111.747 178.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 18.6 m -156.09 144.4 19.94 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.645 0.259 . . . . 53.15 110.891 173.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.518 HG22 ' HB3' ' A' ' 38' ' ' LEU . 20.3 tt -160.48 129.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.88 0.372 . . . . 63.32 111.031 173.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.584 HG13 HG22 ' A' ' 37' ' ' VAL . 59.9 t -128.88 104.0 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 120.863 0.363 . . . . 63.23 111.509 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.677 ' HB3' HG22 ' A' ' 36' ' ' ILE . 7.5 tt -106.19 125.07 50.54 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.534 -0.543 . . . . 64.22 109.534 174.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -136.03 120.98 18.71 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.208 0.528 . . . . 63.34 111.367 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -92.99 110.72 22.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.691 -0.686 . . . . 54.44 110.482 176.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -126.07 135.54 51.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.916 -0.584 . . . . 73.2 111.089 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.4 t70 70.11 -31.4 0.22 Allowed 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.213 0.819 . . . . 44.34 113.213 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.47 -8.18 0.46 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 122.169 -0.332 . . . . 51.24 112.623 -174.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.6 159.58 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 122.423 -0.457 . . . . 54.12 110.268 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.537 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 31.9 p90 -126.06 143.31 51.16 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.136 -0.352 . . . . 65.23 111.379 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.5 t -119.58 105.83 11.59 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.091 0.472 . . . . 73.24 111.251 174.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' B' ' 38' ' ' LEU . 44.1 t -95.09 105.84 17.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.003 0.43 . . . . 71.44 111.112 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.479 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 2.2 m-20 -91.04 110.01 21.27 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.9 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.484 HD23 HD12 ' B' ' 8' ' ' ILE . 40.9 tp -98.21 135.41 39.9 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.995 0.426 . . . . 70.53 111.941 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.586 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 61.5 mmm -129.87 113.06 14.19 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.341 -0.391 . . . . 75.11 111.254 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -143.55 160.32 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.147 -0.479 . . . . 52.3 111.844 -175.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -90.68 132.19 35.94 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.952 0.406 . . . . 70.33 111.636 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 23.2 m -124.83 155.9 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 116.363 -0.381 . . . . 74.42 111.272 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -82.78 -17.75 43.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.724 0.297 . . . . 73.42 111.797 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -166.99 169.04 13.34 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.023 0.439 . . . . 72.1 111.81 -176.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 56.2 p -69.82 -31.11 68.81 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.288 -0.414 . . . . 73.12 111.614 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.19 -36.58 84.52 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.622 0.725 . . . . 70.2 110.25 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -57.93 -44.3 86.8 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.312 -0.858 . . . . 75.12 110.965 173.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.435 HD13 ' HB1' ' B' ' 6' ' ' ALA . 52.5 tp -64.74 -46.68 81.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.094 -0.503 . . . . 52.44 111.467 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 82.5 p -63.49 -29.54 70.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.814 0.34 . . . . 72.4 111.546 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 98.8 m -65.81 -43.42 88.68 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.92 0.39 . . . . 64.23 111.516 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.1 -36.14 76.77 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.488 -0.324 . . . . 64.23 111.418 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.409 ' CE ' ' HB2' ' B' ' 77' ' ' ARG . 60.2 mtt -54.1 -51.4 64.29 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.996 0.427 . . . . 71.42 111.065 176.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.07 -36.51 81.88 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.028 -0.533 . . . . 64.04 111.297 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -63.11 -37.77 88.53 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.097 -0.501 . . . . 43.32 111.26 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.599 HD13 HD11 ' B' ' 10' ' ' ILE . 58.7 mt -77.86 -35.05 51.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.025 -0.534 . . . . 61.15 111.68 179.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -64.88 -6.83 9.17 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.371 0.508 . . . . 74.01 112.371 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -70.89 -13.87 62.18 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.884 0.373 . . . . 74.41 111.832 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 44.8 t -92.12 111.92 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 120.921 0.391 . . . . 63.23 111.205 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -58.37 -27.72 64.48 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.622 0.601 . . . . 74.23 112.622 -175.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.82 -23.32 75.77 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 121.215 -0.516 . . . . 45.12 113.513 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 84.0 t -88.44 135.91 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 122.468 -0.431 . . . . 64.01 111.395 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -116.09 -16.43 11.03 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.422 0.527 . . . . 61.03 112.422 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.627 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 4.6 p -129.81 119.15 22.91 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.169 0.509 . . . . 72.25 111.724 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.1 t -126.35 103.86 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.296 -0.631 . . . . 73.51 109.296 169.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.552 ' HG3' ' HB3' ' B' ' 9' ' ' ARG . 8.1 pt-20 -128.78 160.81 31.39 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.364 0.602 . . . . 72.12 112.542 -169.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.409 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 20.0 ttp85 -90.98 144.55 25.55 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.777 -0.647 . . . . 72.4 111.95 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' B' ' 9' ' ' ARG . 98.5 mt -101.38 99.37 9.72 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.216 -0.447 . . . . 54.31 110.8 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 77.3 p -73.11 -57.8 3.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.276 0.56 . . . . 74.14 110.651 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -79.08 118.05 20.7 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.686 -0.688 . . . . 62.03 110.453 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 44.6 mt -95.72 166.6 11.74 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.945 0.878 . . . . 50.42 113.066 -174.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.97 20.24 17.92 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.65 -1.159 . . . . 71.35 111.545 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.55 ' NE2' ' HG3' ' B' ' 50' ' ' MET . 22.9 m-70 -98.37 103.1 15.02 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.257 0.551 . . . . 71.13 112.462 -171.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -163.42 175.07 11.15 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.444 -0.798 . . . . 73.43 110.501 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -49.07 123.82 7.83 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 111.91 0.337 . . . . 74.21 111.91 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 33.9 m170 71.62 95.86 0.07 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.626 0.77 . . . . 62.52 111.911 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -112.61 127.9 56.22 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.151 -0.477 . . . . 75.41 111.606 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 6.4 t60 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.638 -0.696 . . . . 74.35 110.609 175.462 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.3 ttm . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.745 0.307 . . . . 71.12 110.34 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 m -104.89 139.94 38.88 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.527 0.566 . . . . 51.21 112.527 -172.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.82 151.66 43.28 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.975 -0.557 . . . . 72.31 111.269 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -125.28 151.05 46.48 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.19 0.519 . . . . 70.44 111.022 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.3 tp -76.05 103.86 6.31 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.302 0.572 . . . . 54.31 111.276 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.455 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -98.12 142.29 29.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.748 -0.66 . . . . 70.42 111.858 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.52 149.67 18.25 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 121.257 -0.497 . . . . 73.12 113.054 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.42 HD12 HD23 ' A' ' 49' ' ' LEU . 28.5 mt -136.47 144.93 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 O-C-N 122.665 -0.315 . . . . 73.12 110.755 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.559 ' HB2' HD21 ' A' ' 78' ' ' LEU . 46.6 ttt180 -121.21 120.21 34.55 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.208 -0.308 . . . . 74.51 110.699 175.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.685 HD11 HD13 ' A' ' 66' ' ' LEU . 45.1 mt -109.59 117.08 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.373 -0.376 . . . . 74.32 111.247 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.641 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 70.6 t -119.97 115.43 47.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.58 0.705 . . . . 72.43 111.0 174.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.51 169.88 25.33 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 115.642 -0.708 . . . . 62.2 112.614 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -70.8 126.15 28.79 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.374 0.607 . . . . 50.02 111.412 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.66 102.21 5.27 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.413 -0.358 . . . . 61.23 111.14 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 18' ' ' MET . 0.0 OUTLIER -160.21 156.64 26.88 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.045 0.387 . . . . 71.54 112.045 178.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 52.98 26.6 4.85 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 112.916 0.71 . . . . 74.21 112.916 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.408 ' HA2' ' OD1' ' B' ' 32' ' ' ASN . . . 69.58 34.08 72.79 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.039 -0.6 . . . . 25.3 112.959 -177.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 35.0 mtp -57.41 -31.84 66.24 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.171 0.434 . . . . 71.02 112.171 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.8 p -58.46 -40.79 83.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.755 0.312 . . . . 72.51 111.488 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.35 -48.7 69.37 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.228 0.537 . . . . 64.42 110.662 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.482 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 17.8 pt20 -66.61 -37.66 85.35 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.73 -0.668 . . . . 73.53 111.329 -177.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.511 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 14.3 mm -61.74 -53.74 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 111.826 0.306 . . . . 70.5 111.826 -177.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.561 HG21 HG21 ' B' ' 23' ' ' THR . 6.2 m -72.94 -27.88 62.1 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.354 -0.539 . . . . 70.43 110.426 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.54 -50.24 66.79 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.139 -0.553 . . . . 33.41 112.164 172.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.541 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 94.6 t -59.19 -41.77 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.881 0.372 . . . . 52.32 111.289 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.498 HG21 HD13 ' A' ' 49' ' ' LEU . 67.0 mt -56.01 -43.96 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.229 -0.441 . . . . 61.12 111.786 176.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 m -53.35 -30.39 39.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.046 0.45 . . . . 73.4 111.841 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.541 ' HE3' ' HA ' ' A' ' 25' ' ' VAL . 5.5 mtmp? -81.18 -8.73 59.81 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.704 0.631 . . . . 65.3 112.704 -171.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -61.01 159.16 12.01 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.541 0.686 . . . . 73.43 112.81 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.92 -8.18 34.59 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.341 -0.845 . . . . 64.33 111.8 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.4 t -113.21 168.54 9.63 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.312 0.577 . . . . 52.15 112.116 -174.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -98.8 131.52 44.86 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.061 -0.518 . . . . 73.34 111.453 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.71 108.64 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 120.839 0.352 . . . . 74.22 110.918 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -89.29 -33.44 16.94 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.241 0.543 . . . . 64.22 111.049 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 26.0 m -158.36 148.05 19.64 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.025 -0.534 . . . . 70.45 110.131 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.541 HG22 ' HB3' ' B' ' 38' ' ' LEU . 17.8 tt -159.03 140.82 4.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.04 0.448 . . . . 64.24 112.151 175.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.5 t -136.51 104.88 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 115.858 -0.61 . . . . 75.33 111.187 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.67 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.7 tt -113.71 118.58 34.73 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 122.099 -0.376 . . . . 72.42 110.359 176.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -140.97 138.48 33.79 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.2 0.524 . . . . 55.5 111.52 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.25 141.99 32.34 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.605 0.595 . . . . 65.54 112.605 -175.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -155.4 143.17 19.8 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.602 -0.727 . . . . 73.33 110.523 178.281 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 60.04 27.6 17.03 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.137 0.791 . . . . 74.34 113.137 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.47 4.73 90.07 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.958 -0.639 . . . . 73.33 112.603 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -117.86 172.53 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.453 -0.573 . . . . 72.23 109.453 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.549 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 36.5 p90 -137.88 154.86 49.43 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.962 -0.461 . . . . 71.42 110.767 172.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 4.2 t -127.58 118.07 23.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.914 0.388 . . . . 75.32 110.852 174.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 52.2 t -109.25 102.99 11.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.261 -0.427 . . . . 65.31 111.643 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.499 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 18.1 m-80 -82.99 106.28 14.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.881 0.472 . . . . 64.03 111.281 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.498 HD13 HG21 ' A' ' 26' ' ' ILE . 49.5 tp -98.63 137.63 36.99 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.78 0.324 . . . . 51.23 111.809 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.527 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 72.4 mmm -130.36 113.19 14.04 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.851 0.358 . . . . 65.44 111.61 176.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.22 167.48 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 116.347 -0.388 . . . . 73.02 111.92 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -97.17 139.54 32.99 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.875 0.369 . . . . 75.15 111.712 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.1 m -129.47 141.91 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-O 121.024 0.44 . . . . 62.43 111.794 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.592 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.4 ptpt -73.79 -20.27 60.52 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.396 0.517 . . . . 64.0 112.396 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.592 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.1 p30 -156.83 162.48 39.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.6 0.36 . . . . 71.22 110.087 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -74.45 -28.1 60.89 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.829 0.347 . . . . 65.1 111.756 -173.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.72 -35.53 80.86 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.632 0.73 . . . . 51.51 110.267 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 49.0 tptt -57.91 -39.25 77.48 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.275 -0.875 . . . . 75.23 111.137 173.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.455 HD13 ' HB1' ' A' ' 6' ' ' ALA . 53.9 tp -66.02 -48.86 69.75 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.857 0.361 . . . . 73.14 111.953 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.454 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 5.1 t -67.64 -28.74 67.98 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.915 0.388 . . . . 74.31 111.435 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.8 m -60.39 -40.23 90.16 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.126 0.489 . . . . 71.42 110.657 172.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.73 -39.29 93.94 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.207 -0.451 . . . . 75.24 111.292 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.454 ' SD ' ' HA ' ' A' ' 60' ' ' THR . 50.0 mtt -52.67 -50.96 62.23 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.269 -0.423 . . . . 71.12 110.704 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.48 -48.77 79.68 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.312 -0.404 . . . . 75.55 110.822 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -51.29 -36.8 44.11 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.933 0.397 . . . . 74.05 111.687 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.685 HD13 HD11 ' A' ' 10' ' ' ILE . 57.9 mt -81.15 -28.3 35.11 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.163 0.506 . . . . 74.2 111.51 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 63' ' ' MET . 99.1 mtt180 -75.64 -7.69 54.93 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.315 -0.402 . . . . 74.43 111.969 177.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -71.4 -9.4 58.1 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.007 0.432 . . . . 62.23 110.946 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.23 115.76 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.884 0.373 . . . . 74.31 110.708 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -57.88 -30.49 65.89 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.781 0.66 . . . . 74.01 112.781 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.35 -18.06 79.49 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 121.002 -0.618 . . . . 70.32 114.193 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.3 t -89.32 139.73 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 121.899 -0.765 . . . . 73.21 111.363 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.97 -7.78 8.36 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.793 0.664 . . . . 62.14 112.793 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.641 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.7 p -138.39 125.23 21.09 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.074 0.464 . . . . 71.54 111.632 174.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.561 HG11 ' HB2' ' A' ' 66' ' ' LEU . 45.2 t -142.62 102.85 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 N-CA-C 109.512 -0.551 . . . . 75.2 109.512 171.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -131.8 167.41 19.6 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.073 0.463 . . . . 72.14 112.042 -173.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -80.21 143.94 33.35 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.067 0.46 . . . . 74.21 111.512 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' A' ' 9' ' ' ARG . 93.9 mt -88.97 102.17 14.81 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.975 0.417 . . . . 75.22 110.801 174.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.1 p -66.87 -48.4 68.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.161 0.505 . . . . 74.34 111.07 177.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -81.86 128.44 34.04 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.991 -0.55 . . . . 72.23 110.687 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.42 ' HB3' ' CD2' ' A' ' 83' ' ' HIS . 35.4 mt -130.42 120.13 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.418 0.628 . . . . 72.45 109.839 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 4.2 pm0 -78.09 27.63 0.19 Allowed 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.591 -0.731 . . . . 74.21 111.104 -177.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.42 ' CD2' ' HB3' ' A' ' 81' ' ' LEU . 14.5 m-70 -101.33 -8.5 22.02 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.883 -0.599 . . . . 71.23 111.805 -172.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -75.78 86.32 2.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.276 0.56 . . . . 71.34 111.078 -177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -139.85 -166.8 2.15 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.432 -0.803 . . . . 75.42 110.335 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -96.8 117.93 32.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.012 -0.366 . . . . 64.13 110.012 171.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -45.15 126.86 6.45 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.928 0.714 . . . . 65.34 112.928 -175.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 115.563 -0.744 . . . . 64.35 110.148 172.713 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.4 mmt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 120.635 0.255 . . . . 51.3 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 10.3 t -144.52 33.08 1.17 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.345 0.498 . . . . 72.21 112.345 -177.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 2.1 m-20 -47.24 113.0 0.6 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.743 0.306 . . . . 43.2 111.239 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -106.88 161.02 15.07 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.185 0.517 . . . . 72.51 110.991 -173.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 tp -80.08 112.24 17.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.916 -0.584 . . . . 53.4 111.082 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.61 150.68 27.86 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.789 -0.641 . . . . 71.01 111.496 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.42 144.24 17.54 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 121.387 -0.435 . . . . 64.43 112.821 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.585 HD12 HD23 ' B' ' 49' ' ' LEU . 54.0 mt -129.44 147.22 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 120.788 0.328 . . . . 70.22 110.751 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.571 ' HB3' ' HB2' ' B' ' 76' ' ' GLU . 47.3 ttt180 -126.77 118.88 25.58 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.776 0.322 . . . . 75.24 110.841 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.562 HD11 HD13 ' B' ' 66' ' ' LEU . 40.5 mt -112.23 117.62 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.528 -0.306 . . . . 72.33 111.247 -177.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.594 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 61.1 t -119.66 117.36 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 121.546 0.689 . . . . 64.2 111.561 177.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.82 171.69 25.33 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-N 115.616 -0.72 . . . . 64.11 112.407 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.82 138.94 55.18 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.029 0.442 . . . . 61.5 111.9 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -73.96 82.05 1.7 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.254 0.549 . . . . 73.55 111.647 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -90.97 160.71 15.5 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.618 0.723 . . . . 73.32 112.657 172.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -72.61 48.14 0.19 Allowed 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.914 -1.039 . . . . 72.12 112.961 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.06 -26.42 0.1 OUTLIER Glycine 0 CA--C 1.528 0.883 0 CA-C-N 116.291 -0.413 . . . . 52.01 113.069 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.517 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 53.0 mmm -53.29 -50.93 63.87 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.926 0.713 . . . . 72.23 112.926 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 65.6 p -57.28 -32.44 66.63 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 111.962 0.356 . . . . 61.45 111.962 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -76.43 -43.27 40.88 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.097 0.475 . . . . 74.01 111.384 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.517 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.6 pt20 -72.37 -35.53 68.51 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.401 -0.363 . . . . 74.43 111.613 -177.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.428 ' O ' HG13 ' B' ' 26' ' ' ILE . 15.5 mm -60.93 -54.57 33.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 112.156 0.428 . . . . 72.33 112.156 -176.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.561 HG21 HG21 ' A' ' 23' ' ' THR . 2.9 m -73.62 -29.14 62.18 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.209 0.528 . . . . 73.3 110.579 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.72 -43.23 98.01 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.992 -0.549 . . . . 44.34 112.624 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.559 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . 80.7 t -69.48 -37.89 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 O-C-N 122.621 -0.341 . . . . 71.01 111.32 176.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 22' ' ' ILE . 70.6 mt -56.03 -45.54 80.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.881 0.372 . . . . 75.34 111.807 176.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 85.6 p -58.66 -22.25 56.34 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.192 0.442 . . . . 73.21 112.192 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' B' ' 25' ' ' VAL . 45.2 mtmt -81.07 0.18 37.13 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.373 0.509 . . . . 73.34 112.373 -178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -71.09 156.76 39.22 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 120.95 0.405 . . . . 71.45 111.468 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.27 -20.76 66.2 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.191 0.52 . . . . 64.21 111.468 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' THR . . . . . 0.435 HG21 HD13 ' B' ' 51' ' ' ILE . 7.0 t -92.98 161.34 14.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.993 -0.549 . . . . 52.11 112.201 -174.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASN . . . . . 0.408 ' OD1' ' HA2' ' A' ' 17' ' ' GLY . 42.1 t30 -99.84 129.59 45.95 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.904 -0.589 . . . . 63.11 110.936 -178.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.521 ' HA ' HG22 ' B' ' 51' ' ' ILE . 73.0 mt -67.03 126.86 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.206 0.527 . . . . 61.42 111.08 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -103.27 -31.6 10.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.353 0.596 . . . . 73.54 110.201 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 53.7 m -154.79 132.04 11.07 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.562 -0.745 . . . . 63.33 110.392 174.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.67 HG22 ' HB3' ' A' ' 38' ' ' LEU . 10.4 tp -139.17 128.02 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 121.218 0.532 . . . . 70.04 110.628 176.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 57.6 t -128.35 143.8 39.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.422 -0.353 . . . . 63.2 110.704 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.541 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.3 tt -144.29 128.19 17.4 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.575 0.226 . . . . 55.14 110.501 176.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -143.91 145.5 32.32 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.738 0.304 . . . . 75.14 110.998 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -111.33 121.44 45.25 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.29 0.567 . . . . 62.43 111.657 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -138.4 150.26 46.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.517 -0.765 . . . . 52.35 109.92 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 59.88 20.01 8.96 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.855 0.36 . . . . 54.42 111.788 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.04 4.7 90.49 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 121.208 -0.52 . . . . 61.4 113.13 -175.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.7 mt -119.77 164.6 15.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 N-CA-C 109.447 -0.575 . . . . 72.05 109.447 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 18.2 p90 -125.33 150.9 46.72 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.735 -0.603 . . . . 44.45 110.773 175.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.404 ' HB ' HG22 ' B' ' 11' ' ' VAL . 3.6 t -128.32 125.62 39.13 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.046 0.45 . . . . 65.52 110.794 174.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.663 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.9 t -112.7 126.03 54.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.152 -0.476 . . . . 72.12 111.598 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -101.81 106.3 17.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.532 0.333 . . . . 74.24 110.782 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.585 HD23 HD12 ' B' ' 8' ' ' ILE . 56.8 tp -100.55 121.44 41.6 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.969 0.414 . . . . 62.2 111.977 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.413 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.0 mmm -115.99 109.03 17.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.863 0.363 . . . . 63.33 111.159 177.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.521 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -143.61 160.97 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 116.229 -0.441 . . . . 72.33 111.957 -176.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -89.18 139.19 30.73 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.901 0.381 . . . . 73.21 111.689 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 13.7 m -131.0 141.8 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 121.005 0.431 . . . . 54.25 111.639 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.528 ' HE2' ' ND2' ' B' ' 55' ' ' ASN . 21.4 ptmt -64.21 -40.48 96.16 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.112 -0.495 . . . . 61.44 111.973 175.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.528 ' ND2' ' HE2' ' B' ' 54' ' ' LYS . 89.6 m-20 -139.77 162.56 34.83 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.18 0.514 . . . . 63.11 111.894 -174.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 77.8 p -63.79 -40.53 96.89 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.874 -0.603 . . . . 74.3 111.221 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -40.94 96.81 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.31 0.576 . . . . 62.23 111.183 176.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -56.62 -39.79 74.24 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.822 -0.627 . . . . 53.43 110.668 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.86 -47.66 74.16 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.271 -0.422 . . . . 71.42 111.216 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' B' ' 63' ' ' MET . 69.1 p -64.59 -27.71 69.13 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.992 0.425 . . . . 51.23 111.307 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 99.3 m -66.57 -39.75 88.63 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.903 0.382 . . . . 70.23 111.234 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.23 -36.83 78.61 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.929 0.395 . . . . 52.41 110.579 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.412 ' HA ' HG11 ' B' ' 75' ' ' VAL . 61.7 mtt -56.11 -46.57 79.07 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.081 -0.508 . . . . 75.31 110.64 174.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.512 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 31.3 t70 -55.74 -50.11 71.27 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.947 -0.57 . . . . 71.21 111.006 177.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -57.47 -45.96 84.21 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.208 0.528 . . . . 63.13 111.876 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.562 HD13 HD11 ' B' ' 10' ' ' ILE . 56.1 mt -72.78 -30.43 64.09 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.27 0.557 . . . . 60.21 111.55 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 67' ' ' ARG . 46.2 ttm180 -71.89 -13.25 61.6 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.036 -0.529 . . . . 70.51 111.869 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 74.7 mmtt -72.29 -15.45 61.9 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 111.988 0.366 . . . . 71.13 111.988 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 49.0 t -80.82 117.82 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 120.822 0.344 . . . . 71.11 111.594 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -56.54 -31.31 64.02 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.447 0.536 . . . . 52.15 112.447 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.487 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -69.09 -21.4 75.53 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 121.293 -0.48 . . . . 73.22 113.774 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -95.34 141.63 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 117.214 0.507 . . . . 73.5 111.267 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.78 -14.39 7.69 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.457 0.539 . . . . 64.15 112.457 176.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.594 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.0 OUTLIER -130.31 128.56 41.76 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.12 0.486 . . . . 74.25 111.559 175.434 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.412 HG11 ' HA ' ' B' ' 63' ' ' MET . 25.9 t -128.25 105.33 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 109.622 -0.511 . . . . 74.54 109.622 173.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' B' ' 9' ' ' ARG . 43.5 mt-10 -118.32 164.64 14.91 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.395 0.617 . . . . 72.32 112.654 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -101.87 141.7 34.32 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.79 -0.641 . . . . 54.34 110.751 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -96.13 106.53 18.72 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.036 0.446 . . . . 64.14 110.706 176.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 83.6 p -81.93 -56.95 3.64 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.0 0.429 . . . . 71.14 111.967 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -77.29 100.05 5.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.022 0.439 . . . . 75.53 111.357 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.0 mt -96.87 149.91 21.33 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.319 0.58 . . . . 61.54 112.197 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -105.42 30.41 5.71 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.874 -0.603 . . . . 63.02 111.65 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -92.03 -5.78 52.29 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.959 0.725 . . . . 61.41 112.959 -173.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -149.26 159.67 44.06 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.586 0.231 . . . . 53.51 110.764 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -61.02 119.08 7.62 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.082 0.468 . . . . 52.32 111.506 -172.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -127.67 125.29 39.82 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.945 0.402 . . . . 64.13 111.557 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -75.38 142.89 43.02 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.315 -0.402 . . . . 75.22 111.434 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.592 -0.718 . . . . 72.41 111.398 175.777 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.766 0.317 . . . . 73.43 111.261 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 t -126.54 85.49 2.39 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 121.619 0.723 . . . . 65.32 112.308 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.98 142.36 52.84 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.899 -0.592 . . . . 75.02 110.917 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -119.14 153.94 34.06 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.219 0.533 . . . . 74.15 111.09 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -78.08 103.68 8.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.918 -0.583 . . . . 75.2 111.215 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.22 158.69 15.32 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.903 -0.59 . . . . 71.31 111.43 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.91 151.0 20.08 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 121.056 -0.592 . . . . 54.4 113.469 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 mt -136.91 146.04 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 122.984 0.514 . . . . 70.32 110.506 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.499 ' HB2' HD21 ' A' ' 78' ' ' LEU . 59.2 ttt180 -122.18 131.42 53.94 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 122.025 -0.422 . . . . 60.14 110.947 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 46' ' ' THR . 31.8 mt -120.72 117.51 53.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.242 -0.435 . . . . 64.22 111.247 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.59 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 73.3 t -118.01 116.93 53.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.686 0.755 . . . . 75.34 111.122 175.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.01 167.76 25.56 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.373 -0.831 . . . . 71.3 112.412 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.45 139.79 57.99 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.025 0.441 . . . . 64.03 111.738 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.41 75.16 3.97 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.346 0.593 . . . . 71.53 111.778 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -88.42 154.42 20.39 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.096 0.474 . . . . 72.4 112.174 170.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -46.98 -38.84 11.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.445 -0.798 . . . . 62.54 112.962 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.77 -12.65 34.28 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.912 -0.661 . . . . 43.22 114.142 -176.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.551 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 56.0 mmm -69.75 -51.83 30.64 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 117.841 0.82 . . . . 63.13 112.704 -173.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.4 p -59.78 -33.94 72.36 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.042 0.449 . . . . 74.22 111.387 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.517 ' HA ' HD12 ' B' ' 33' ' ' ILE . 1.9 m-20 -76.39 -48.63 19.16 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.074 0.464 . . . . 75.31 110.908 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.551 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.2 pt20 -67.25 -35.64 79.96 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.375 -0.375 . . . . 73.12 111.738 -176.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.1 mm -63.56 -54.31 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 112.28 0.474 . . . . 72.11 112.28 -177.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.3 m -71.01 -27.45 63.7 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.261 0.553 . . . . 75.13 110.257 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.498 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -62.94 -49.65 70.47 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.168 -0.539 . . . . 72.45 112.265 172.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.513 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 54.2 t -59.42 -36.35 63.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 O-C-N 122.556 -0.379 . . . . 62.24 111.372 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 49' ' ' LEU . 75.2 mt -60.36 -44.89 96.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.286 -0.416 . . . . 75.53 111.604 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.4 p -63.39 -24.94 68.06 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.08 0.467 . . . . 40.03 111.022 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 54.4 mtpt -77.68 -4.74 47.65 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.052 -0.522 . . . . 73.41 111.812 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -65.48 166.51 10.24 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.963 0.887 . . . . 74.11 113.388 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.84 34.08 0.66 Allowed 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 114.616 -1.174 . . . . 73.23 110.898 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.9 t -151.88 149.22 28.72 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.343 -0.389 . . . . 73.43 111.135 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.405 HD22 ' NH1' ' A' ' 34' ' ' ARG . 8.0 t30 -90.31 127.74 36.25 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.04 0.448 . . . . 73.52 111.181 -177.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.416 ' HA ' HG22 ' A' ' 51' ' ' ILE . 66.8 mt -63.03 123.16 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 112.34 0.496 . . . . 71.25 112.34 -175.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.405 ' NH1' HD22 ' A' ' 32' ' ' ASN . 28.1 mmt180 -96.87 -39.29 9.47 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.245 0.545 . . . . 73.45 110.598 176.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.548 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 24.8 m -149.79 146.1 26.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.999 -0.546 . . . . 74.42 110.19 172.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.584 HG22 ' HB3' ' B' ' 38' ' ' LEU . 19.3 tt -157.88 131.63 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.085 0.469 . . . . 73.5 111.726 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.627 HG13 HG22 ' B' ' 37' ' ' VAL . 62.1 t -133.64 104.82 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 116.332 -0.394 . . . . 72.52 111.726 -178.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.573 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.0 tt -104.72 116.58 32.27 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.771 -0.455 . . . . 70.21 109.771 174.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -128.73 128.9 44.95 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.901 0.382 . . . . 61.43 111.321 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -96.77 109.95 22.52 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.029 0.442 . . . . 72.05 111.247 177.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.708 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -123.93 141.06 52.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.062 -0.517 . . . . 73.44 110.603 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 64.24 6.81 3.15 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.622 0.601 . . . . 51.22 112.622 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.74 7.5 50.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 121.174 -0.536 . . . . 64.43 113.544 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.5 mt -131.89 149.83 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 122.331 -0.511 . . . . 53.32 110.02 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.533 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 39.1 p90 -114.51 146.22 40.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.027 0.441 . . . . 43.34 111.634 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 2.1 t -122.99 102.61 8.1 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.874 -0.603 . . . . 74.21 111.058 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 38' ' ' LEU . 42.2 t -91.32 111.29 22.71 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.025 0.441 . . . . 72.43 111.303 177.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.3 m-20 -97.47 111.2 23.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.207 -0.451 . . . . 62.54 111.14 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD13 HG21 ' A' ' 26' ' ' ILE . 57.7 tp -98.65 138.09 36.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.921 0.391 . . . . 70.43 111.783 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.548 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.5 mmm -131.38 114.22 14.71 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.392 -0.367 . . . . 71.53 111.126 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.416 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.6 pp -145.48 162.16 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 122.569 0.347 . . . . 71.24 111.876 -176.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -89.6 139.88 30.1 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.87 0.367 . . . . 73.31 111.869 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.5 m -135.96 152.38 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.1 -0.5 . . . . 62.34 110.776 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -84.4 -32.36 24.19 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.919 0.39 . . . . 75.21 111.77 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.529 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 79.0 m-20 -131.39 155.67 46.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.329 -0.396 . . . . 74.54 111.374 -176.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.6 p -72.84 -30.62 64.16 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 122.18 -0.325 . . . . 74.45 111.108 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.11 -32.49 74.08 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.755 0.788 . . . . 71.22 109.814 175.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 51.5 tptt -61.87 -47.32 85.53 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.917 -1.038 . . . . 75.25 110.812 172.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.43 -47.34 86.53 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.141 -0.481 . . . . 74.25 111.748 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.5 p -62.1 -27.33 68.84 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.688 0.28 . . . . 72.43 111.58 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.0 m -61.96 -42.97 99.73 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.053 0.454 . . . . 63.22 111.219 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.5 -39.48 91.14 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.322 -0.399 . . . . 62.12 111.189 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.4 mtt -52.98 -51.07 62.79 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.139 0.495 . . . . 73.54 110.735 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.98 -47.11 81.58 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.742 -0.663 . . . . 71.44 111.132 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.434 ' NZ ' ' HB3' ' A' ' 65' ' ' LYS . 8.6 mtpm? -58.16 -34.23 70.08 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.12 -0.491 . . . . 70.5 111.866 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.404 HD13 HD11 ' A' ' 10' ' ' ILE . 60.3 mt -79.38 -33.47 42.79 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.129 0.49 . . . . 62.42 111.488 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' HE ' ' HB ' ' A' ' 75' ' ' VAL . 99.2 mtt180 -70.37 -6.5 35.86 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.139 -0.482 . . . . 71.15 112.213 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -71.11 -17.09 62.59 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.68 0.276 . . . . 73.42 111.298 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -86.61 122.52 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-O 121.189 0.519 . . . . 61.3 112.204 -172.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -53.1 -39.96 63.77 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.267 0.84 . . . . 73.44 113.267 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.38 -18.36 79.3 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 121.073 -0.584 . . . . 65.25 114.495 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.459 HG23 ' HE1' ' A' ' 18' ' ' MET . 61.1 t -89.73 139.08 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 117.667 0.734 . . . . 73.31 111.799 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -121.64 -12.02 8.56 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.51 0.559 . . . . 64.14 112.51 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.59 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 2.8 p -134.09 123.14 23.97 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.999 0.428 . . . . 62.2 111.623 174.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.417 ' HB ' ' HE ' ' A' ' 67' ' ' ARG . 45.1 t -134.23 104.82 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 109.625 -0.509 . . . . 75.54 109.625 172.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -129.33 170.03 14.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.021 0.438 . . . . 72.53 112.075 -171.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -92.31 133.95 35.37 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.465 -0.334 . . . . 72.31 111.427 176.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 9' ' ' ARG . 95.4 mt -83.87 95.34 8.45 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.461 -0.57 . . . . 72.31 109.461 170.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 75.3 p -84.0 -53.42 5.57 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.989 0.424 . . . . 74.32 111.586 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -69.43 97.13 0.95 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.252 0.549 . . . . 71.33 110.493 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.1 mt -106.86 150.96 25.84 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.062 -0.517 . . . . 72.45 112.023 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -130.13 28.61 5.01 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.073 -0.512 . . . . 53.13 111.316 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -70.86 90.74 0.81 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.189 0.518 . . . . 60.42 111.393 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -127.59 97.61 4.92 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.962 -0.563 . . . . 63.22 110.996 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -100.61 150.07 23.09 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.034 -0.53 . . . . 75.02 110.671 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -56.4 108.41 0.48 Allowed 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.954 0.407 . . . . 74.35 110.522 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -124.63 170.92 10.47 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.149 0.5 . . . . 70.52 111.878 -174.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.666 -0.697 . . . . 71.12 111.439 171.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.5 mtm . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.648 0.261 . . . . 73.45 111.055 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 88.8 m -125.54 109.4 12.63 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.807 0.337 . . . . 64.25 111.165 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -65.12 158.92 24.57 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.179 0.514 . . . . 65.21 112.217 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -139.04 153.78 48.13 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.922 0.392 . . . . 72.52 110.5 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 51.2 tp -75.54 105.7 6.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.286 0.565 . . . . 65.0 110.694 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.411 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -94.42 152.97 18.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.772 -0.649 . . . . 72.34 111.889 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.77 128.56 5.36 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.308 -0.472 . . . . 73.22 113.319 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' B' ' 48' ' ' ASN . 50.4 mt -115.63 147.23 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 122.562 0.345 . . . . 62.34 110.936 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -123.55 128.63 50.02 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.737 0.303 . . . . 54.0 110.994 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.924 HD11 HD13 ' B' ' 66' ' ' LEU . 51.6 mt -123.08 117.84 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 116.347 -0.388 . . . . 70.11 111.393 -178.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.598 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 70.5 t -118.81 117.71 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.643 0.735 . . . . 60.23 111.21 175.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.15 169.74 26.18 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.398 -0.819 . . . . 63.03 112.491 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.49 126.83 30.69 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.271 0.557 . . . . 72.53 111.655 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.04 114.22 4.01 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.985 0.422 . . . . 72.34 110.657 177.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.442 ' HB2' ' CG ' ' B' ' 18' ' ' MET . 22.4 mtpp -123.26 -177.38 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.508 0.671 . . . . 64.42 112.121 -177.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -46.82 -29.85 2.17 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.723 -1.126 . . . . 73.35 113.493 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.79 31.44 0.41 Allowed Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.807 -0.711 . . . . 73.13 113.515 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.487 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 30.3 mmm -73.6 -49.69 24.93 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 122.411 -0.464 . . . . 74.02 112.199 -177.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 73.4 p -58.99 -32.28 69.54 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.022 0.439 . . . . 71.44 111.298 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -76.45 -48.89 18.14 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.103 -0.499 . . . . 73.31 111.163 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.538 ' O ' HG23 ' B' ' 25' ' ' VAL . 8.7 pt20 -64.12 -39.64 94.46 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.617 -0.265 . . . . 71.53 111.272 -177.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.41 HD13 HG21 ' B' ' 69' ' ' VAL . 12.3 mm -60.69 -53.95 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.936 0.398 . . . . 62.0 111.881 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.419 ' HA ' HD12 ' B' ' 26' ' ' ILE . 6.3 m -70.18 -27.05 64.21 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.306 0.574 . . . . 53.45 110.367 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.534 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -61.92 -52.24 51.62 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-N 115.975 -0.557 . . . . 54.02 112.015 172.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 21' ' ' GLN . 90.8 t -55.85 -40.28 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 121.003 0.43 . . . . 64.32 110.904 175.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.452 ' CG2' HD13 ' B' ' 49' ' ' LEU . 57.9 mt -54.53 -47.2 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 CA-C-N 115.908 -0.587 . . . . 64.51 111.628 174.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 82.7 p -70.64 -21.47 62.62 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 120.743 0.306 . . . . 62.24 111.431 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 99.0 mttt -75.32 -6.65 51.0 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.268 0.47 . . . . 62.53 112.268 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -69.66 170.05 11.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.866 0.841 . . . . 73.13 112.733 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.39 -29.44 26.21 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.15 -0.932 . . . . 54.4 111.924 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.9 t -77.74 160.27 28.53 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.117 0.484 . . . . 40.32 112.109 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -94.32 124.35 38.29 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.976 0.417 . . . . 75.2 111.855 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.518 ' HA ' HG22 ' B' ' 51' ' ' ILE . 67.4 mt -67.12 112.86 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 116.127 -0.488 . . . . 74.33 111.571 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' B' ' 34' ' ' ARG . 0.1 OUTLIER -89.53 -32.6 17.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.337 0.589 . . . . 73.41 110.343 177.803 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 19.0 m -157.44 149.37 22.36 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.994 -0.548 . . . . 71.03 110.813 175.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.573 HG22 ' HB3' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -149.17 133.74 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 120.743 0.306 . . . . 75.33 110.309 172.424 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.627 HG22 HG13 ' A' ' 37' ' ' VAL . 62.5 t -133.76 105.75 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 120.776 0.322 . . . . 71.3 111.716 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.584 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.3 tt -113.48 133.17 55.36 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 122.334 0.253 . . . . 55.3 110.691 178.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -141.03 133.44 28.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.185 0.517 . . . . 72.42 111.302 172.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -105.09 127.56 52.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.252 0.548 . . . . 73.45 111.02 177.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.587 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -142.77 140.94 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.836 -0.62 . . . . 75.34 110.451 179.33 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 56.14 27.03 10.91 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.202 0.525 . . . . 72.01 111.864 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.68 5.75 81.15 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 116.207 -0.451 . . . . 73.41 114.172 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 mt -128.62 140.43 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 117.542 0.671 . . . . 64.22 111.282 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.573 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 38.6 p90 -110.81 146.85 35.69 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.915 0.388 . . . . 73.44 111.265 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.489 ' HB ' HG22 ' B' ' 11' ' ' VAL . 3.0 t -124.31 107.32 11.03 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.084 -0.507 . . . . 63.3 110.747 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' B' ' 36' ' ' ILE . 42.2 t -101.1 122.25 43.25 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.125 -0.488 . . . . 54.41 111.3 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' B' ' 8' ' ' ILE . 64.7 m-20 -105.22 117.66 34.58 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.79 0.329 . . . . 74.13 111.219 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' B' ' 26' ' ' ILE . 28.4 tp -98.96 126.93 44.77 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.922 0.391 . . . . 74.21 111.605 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.528 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 65.7 mmm -118.47 106.93 13.19 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.146 0.498 . . . . 72.41 111.386 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.518 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.2 pp -138.96 160.75 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 115.977 -0.556 . . . . 43.22 111.506 -177.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.25 132.35 36.18 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.928 0.394 . . . . 65.24 111.611 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.1 m -126.78 145.78 33.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 116.118 -0.492 . . . . 63.01 110.894 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -81.13 -18.35 46.73 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.881 0.372 . . . . 74.22 111.597 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -158.44 164.94 35.76 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.111 -0.495 . . . . 70.22 111.064 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 81.4 p -70.52 -30.68 67.51 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.231 0.456 . . . . 75.13 112.231 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -59.11 -41.26 87.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.0 0.429 . . . . 64.33 111.496 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -57.27 -51.15 70.51 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.084 0.469 . . . . 72.13 110.648 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.411 HD13 ' HB1' ' B' ' 6' ' ' ALA . 50.5 tp -57.23 -47.35 81.56 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.833 -0.621 . . . . 74.11 112.407 -177.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' THR . . . . . 0.426 ' HA ' ' HG3' ' B' ' 63' ' ' MET . 9.2 t -73.46 -29.44 62.54 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.182 0.438 . . . . 72.31 112.182 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 97.3 m -63.67 -33.85 76.56 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.087 0.47 . . . . 71.34 110.508 173.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.55 -37.69 88.44 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.527 -0.306 . . . . 74.22 110.616 173.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.426 ' HG3' ' HA ' ' B' ' 60' ' ' THR . 50.0 mtt -53.99 -50.7 65.97 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.226 0.536 . . . . 74.32 109.803 173.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.15 -53.66 50.28 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.459 -0.791 . . . . 72.25 111.95 176.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -58.09 -36.28 72.62 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.128 0.418 . . . . 62.32 112.128 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.924 HD13 HD11 ' B' ' 10' ' ' ILE . 63.5 mt -81.57 -25.81 35.5 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.981 0.419 . . . . 74.34 111.365 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' B' ' 67' ' ' ARG . 37.0 ttm180 -73.68 -14.33 61.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.852 0.358 . . . . 74.32 111.774 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -72.4 -3.92 27.0 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.1 0.408 . . . . 75.21 112.1 -177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.442 HG12 ' H ' ' B' ' 71' ' ' GLY . 88.7 t -85.91 126.58 40.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 121.214 0.53 . . . . 71.0 111.378 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.22 -31.42 69.03 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.036 0.754 . . . . 72.05 113.036 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.442 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -79.05 -12.92 83.58 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 121.063 -0.589 . . . . 53.21 114.414 -175.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 59.8 t -92.02 142.7 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 117.694 0.747 . . . . 72.02 112.225 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -127.68 -4.2 5.91 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.562 0.579 . . . . 55.4 112.562 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.598 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.2 p -137.78 129.09 27.81 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 122.021 -0.424 . . . . 72.41 111.474 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 t -141.76 106.5 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 109.568 -0.53 . . . . 72.32 109.568 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -143.07 160.08 41.06 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.733 0.642 . . . . 70.12 112.733 -169.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -87.62 120.02 28.51 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.215 -0.448 . . . . 74.0 111.381 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.3 -40.69 78.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.209 -0.45 . . . . 63.41 111.25 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 47.7 m 69.84 -71.49 0.12 Allowed 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.635 -0.711 . . . . 73.44 112.565 173.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -81.11 130.61 35.1 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.77 0.319 . . . . 75.41 110.556 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.4 mt -126.26 142.93 51.33 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.29 0.478 . . . . 72.22 112.29 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.428 ' HB3' ' CD2' ' B' ' 88' ' ' HIS . 13.0 pt-20 -102.13 22.27 13.47 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.418 0.628 . . . . 54.22 111.081 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -72.63 177.5 4.69 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.901 -0.591 . . . . 63.53 111.122 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 33.4 m170 61.73 32.01 18.39 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.819 0.343 . . . . 74.24 111.165 -173.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 67.4 20.71 9.87 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.207 0.527 . . . . 74.32 111.801 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -90.77 43.65 1.16 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.295 0.569 . . . . 72.41 111.44 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.418 ' HA ' ' HB2' ' B' ' 82' ' ' GLU . 81.1 t60 -60.32 131.76 51.8 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.977 0.418 . . . . 74.22 112.02 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' B' ' 82' ' ' GLU . 15.6 p80 . . . . . 0 C--O 1.251 1.17 0 CA-C-N 116.277 -0.419 . . . . 72.22 111.825 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 120.627 0.251 . . . . 71.41 111.275 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 t -100.3 88.43 3.68 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.468 0.651 . . . . 73.03 111.476 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.19 141.01 38.94 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.044 -0.526 . . . . 74.31 110.851 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -121.5 155.88 34.0 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.116 0.484 . . . . 74.21 110.379 177.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.7 tp -78.78 105.89 10.39 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.476 . . . . 73.41 111.377 -178.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.49 143.68 32.4 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.932 -0.576 . . . . 70.21 111.506 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.83 144.17 18.13 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 121.158 -0.544 . . . . 71.03 112.945 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.671 HD12 HD23 ' A' ' 49' ' ' LEU . 46.2 mt -131.83 145.2 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.809 0.444 . . . . 75.22 110.282 177.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.492 ' HB2' HD21 ' A' ' 78' ' ' LEU . 73.3 ttt180 -128.83 128.03 43.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.942 0.401 . . . . 42.11 111.18 175.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.473 HD11 HD13 ' A' ' 66' ' ' LEU . 14.8 mt -117.17 117.13 54.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 115.878 -0.601 . . . . 74.14 110.926 -178.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.603 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 73.6 t -117.41 108.41 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 121.701 0.763 . . . . 51.44 111.277 175.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.12 158.68 23.69 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.139 -0.937 . . . . 70.32 111.841 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.56 133.4 43.54 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.367 0.584 . . . . 64.31 111.631 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.77 106.26 3.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.187 0.518 . . . . 54.53 111.241 -177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 18' ' ' MET . 22.3 ptmt -156.69 141.73 17.19 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.336 -0.393 . . . . 74.2 112.042 -178.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 60.66 11.06 2.9 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.764 0.653 . . . . 62.15 112.764 171.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.92 34.43 8.95 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 121.034 -0.603 . . . . 51.12 113.014 -177.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 45.1 mtp -59.14 -40.01 84.15 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.565 -0.374 . . . . 72.33 111.822 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.4 p -55.01 -34.83 63.8 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.871 0.367 . . . . 74.21 111.665 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.563 ' O ' ' HB2' ' B' ' 27' ' ' SER . 15.6 m120 -76.06 -49.37 17.68 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.314 -0.403 . . . . 73.02 110.957 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.561 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 10.1 pt20 -64.92 -42.59 94.58 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.768 0.318 . . . . 71.04 111.27 -178.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 13.1 mm -58.03 -53.87 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 112.198 0.444 . . . . 74.33 112.198 -177.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.425 ' O ' ' HB ' ' A' ' 26' ' ' ILE . 7.0 m -70.45 -26.07 63.48 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.221 0.534 . . . . 72.11 110.299 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.0 -43.21 99.48 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.084 -0.579 . . . . 61.32 112.362 170.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 21' ' ' GLN . 88.8 t -62.9 -35.35 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.945 0.402 . . . . 61.3 110.85 175.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.715 HD12 HD22 ' A' ' 49' ' ' LEU . 47.5 mm -51.76 -46.17 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 116.057 -0.519 . . . . 75.25 111.752 176.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.4 p -64.59 -22.89 67.09 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.86 0.362 . . . . 64.25 111.373 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -86.13 20.26 2.38 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 111.877 0.325 . . . . 71.42 111.877 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.446 ' CG ' HD22 ' A' ' 62' ' ' LEU . 21.3 m-30 -97.24 -4.77 38.28 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.674 0.62 . . . . 70.23 112.674 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.8 t70 69.42 -2.09 2.0 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 112.166 0.432 . . . . 65.31 112.166 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.9 t -100.5 155.1 18.03 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 122.038 -0.414 . . . . 52.13 112.035 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.451 ' O ' HG22 ' A' ' 51' ' ' ILE . 27.0 t-20 -80.5 123.57 28.19 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.941 0.4 . . . . 72.05 111.757 -177.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.506 ' HA ' HG22 ' A' ' 51' ' ' ILE . 68.6 mt -74.94 106.61 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 116.253 -0.43 . . . . 74.32 111.456 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.19 -35.39 21.69 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.015 0.436 . . . . 73.51 110.459 177.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.559 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 5.8 m -153.94 146.97 24.53 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.957 -0.565 . . . . 75.14 110.705 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.592 HG22 ' HB3' ' B' ' 38' ' ' LEU . 16.7 tt -157.12 133.26 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 120.863 0.364 . . . . 63.23 111.205 172.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.509 HG22 HG13 ' B' ' 37' ' ' VAL . 59.0 t -135.34 105.19 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.907 0.384 . . . . 73.32 111.543 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.63 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.4 tt -109.03 119.36 39.33 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.969 -0.382 . . . . 63.4 109.969 176.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -131.55 133.45 45.06 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.939 0.399 . . . . 74.25 111.019 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.71 117.04 34.01 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.22 0.533 . . . . 75.11 111.592 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HG2' ' OD2' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -141.09 153.65 45.55 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.888 -0.597 . . . . 72.1 109.68 176.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' OD2' ' HG2' ' A' ' 41' ' ' LYS . 32.1 m-20 64.09 11.43 6.18 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.763 0.316 . . . . 54.24 111.528 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.53 2.24 76.58 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 121.65 -0.31 . . . . 71.51 113.216 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.6 mt -125.39 150.49 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 122.541 0.336 . . . . 72.11 110.738 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.541 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 43.4 p90 -115.04 143.62 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.243 0.544 . . . . 71.51 111.481 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 1.8 t -118.32 100.37 7.45 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.781 -0.645 . . . . 51.12 111.002 176.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.3 t -88.06 108.39 19.21 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.016 0.436 . . . . 63.45 111.461 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.457 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.1 m-20 -94.38 110.8 22.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.294 -0.412 . . . . 74.53 111.185 177.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.715 HD22 HD12 ' A' ' 26' ' ' ILE . 48.3 tp -98.14 134.23 41.48 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.916 0.389 . . . . 72.22 111.761 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.559 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 70.6 mmm -127.92 108.68 10.89 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.059 0.457 . . . . 70.01 111.164 176.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.506 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -141.07 168.0 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.154 -0.475 . . . . 61.4 111.747 -175.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -96.18 138.26 34.05 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.891 0.377 . . . . 73.21 111.535 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.4 m -132.26 142.35 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.944 0.402 . . . . 53.54 111.417 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -61.86 -41.42 97.82 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.203 0.525 . . . . 61.24 111.876 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -149.49 171.59 16.35 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.324 -0.398 . . . . 60.12 111.353 -176.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.8 p -71.31 -25.59 62.49 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.55 0.574 . . . . 61.23 112.55 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.11 -40.4 90.68 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.406 0.622 . . . . 74.22 110.229 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -58.17 -41.17 83.26 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.497 -0.774 . . . . 62.43 110.791 173.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.32 -48.0 74.6 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.283 -0.417 . . . . 75.33 111.501 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.6 p -65.09 -27.98 69.14 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.684 0.278 . . . . 70.33 111.182 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.5 m -63.59 -42.75 98.25 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.966 0.412 . . . . 60.52 110.735 175.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.446 HD22 ' CG ' ' A' ' 29' ' ' PHE . 12.2 mt -63.98 -50.15 69.71 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.373 -0.376 . . . . 63.02 111.109 178.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.411 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 75.7 mtm -58.79 -34.69 71.77 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.479 -0.328 . . . . 63.21 111.359 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -63.75 -48.16 78.1 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.966 0.412 . . . . 75.34 110.774 174.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -55.85 -33.97 65.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.077 -0.51 . . . . 63.51 111.571 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.473 HD13 HD11 ' A' ' 10' ' ' ILE . 59.1 mt -78.64 -36.92 43.25 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.109 -0.496 . . . . 63.41 111.91 177.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 63' ' ' MET . 97.7 mtt180 -67.08 -7.45 23.06 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.758 0.651 . . . . 72.44 112.758 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -75.21 -12.41 60.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.429 0.529 . . . . 75.12 112.429 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 63.4 t -82.35 115.51 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.037 0.446 . . . . 72.41 111.555 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -59.06 -31.34 68.78 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.569 0.581 . . . . 64.32 112.569 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.528 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -74.09 -17.7 79.56 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 120.829 -0.7 . . . . 71.34 113.628 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -92.18 137.62 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 122.196 -0.591 . . . . 74.02 111.279 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -122.6 -2.51 8.88 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.757 0.651 . . . . 70.31 112.757 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.603 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 5.1 p -143.42 123.27 13.45 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.892 0.377 . . . . 75.15 111.446 173.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.433 HG11 ' HB2' ' A' ' 66' ' ' LEU . 26.4 t -139.27 102.78 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 109.438 -0.579 . . . . 73.31 109.438 171.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -133.79 162.12 32.86 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.517 -0.31 . . . . 72.02 111.441 -173.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -74.5 143.6 44.51 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.934 0.397 . . . . 74.12 111.512 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 9' ' ' ARG . 64.9 mt -89.51 119.34 29.86 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.756 0.312 . . . . 73.21 111.683 176.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.3 t -92.68 -14.04 28.6 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.441 0.639 . . . . 72.23 110.529 173.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -110.73 109.99 20.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.044 -0.526 . . . . 54.53 110.611 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.442 HD22 ' SD ' ' A' ' 50' ' ' MET . 36.7 mt -112.8 172.55 6.86 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.122 0.487 . . . . 72.55 111.793 -176.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.51 15.29 12.01 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.696 0.628 . . . . 72.15 112.696 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.425 ' HD2' ' HB3' ' A' ' 81' ' ' LEU . 22.7 m-70 -79.53 129.8 34.8 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 122.292 -0.255 . . . . 75.22 111.125 -176.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 60.87 15.96 6.45 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.645 0.378 . . . . 75.44 111.768 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -80.37 140.44 36.07 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.058 0.456 . . . . 70.34 111.298 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -108.46 125.15 51.45 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.142 0.496 . . . . 65.52 111.275 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -69.59 113.29 6.73 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.16 -0.473 . . . . 74.31 111.6 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.97 -0.538 . . . . 72.34 111.016 176.013 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 110.627 -0.138 . . . . 71.32 110.627 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 80.7 m -79.32 70.51 5.75 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.551 0.691 . . . . 74.33 110.126 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.493 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 7.4 m-20 -94.49 128.76 41.29 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.792 -0.64 . . . . 65.3 110.839 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -130.75 156.15 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.234 0.54 . . . . 74.24 110.566 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.3 tp -81.62 105.7 12.98 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.78 -0.645 . . . . 74.2 110.532 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.498 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -93.18 147.24 23.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.112 -0.494 . . . . 73.02 111.846 -176.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' B' ' 49' ' ' LEU . . . -125.14 142.86 14.15 Favored Glycine 0 CA--C 1.524 0.62 0 CA-C-N 115.95 -0.568 . . . . 65.11 113.381 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.576 HD12 HD23 ' B' ' 49' ' ' LEU . 38.7 mt -128.08 140.36 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 122.689 0.396 . . . . 64.54 110.612 177.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.558 ' HB2' HD21 ' B' ' 78' ' ' LEU . 49.6 ttt180 -114.49 122.89 47.97 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.942 0.401 . . . . 74.52 111.182 173.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' B' ' 47' ' ' CYS . 28.2 mt -111.99 117.43 55.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.96 -0.564 . . . . 74.14 110.812 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.648 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 59.3 t -120.38 110.79 29.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-O 121.519 0.676 . . . . 75.22 111.023 175.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.58 161.42 23.99 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.384 -0.826 . . . . 63.2 112.395 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.95 149.58 48.68 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.778 0.659 . . . . 74.02 112.778 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.87 97.81 0.69 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.842 -0.617 . . . . 74.12 110.599 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.502 ' HB2' ' HB2' ' B' ' 18' ' ' MET . 58.3 mmtt -100.71 -178.9 3.92 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 122.172 0.987 . . . . 73.13 111.739 175.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -57.34 -46.48 83.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 113.802 -1.544 . . . . 75.53 111.625 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.29 25.35 2.18 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 120.756 -0.735 . . . . 73.41 114.351 -175.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.512 ' SD ' HG11 ' B' ' 69' ' ' VAL . 22.4 mmm -67.88 -50.47 56.21 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 117.502 0.651 . . . . 74.42 111.603 177.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 77.1 p -56.58 -32.26 65.04 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.068 0.461 . . . . 72.01 111.349 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -75.7 -48.26 22.7 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.06 -0.518 . . . . 72.33 110.938 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.562 ' O ' HG23 ' B' ' 25' ' ' VAL . 10.4 pt20 -67.73 -38.77 84.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.257 -0.429 . . . . 72.43 111.467 -178.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.551 ' O ' HG12 ' B' ' 26' ' ' ILE . 14.3 mm -59.87 -54.35 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 112.236 0.458 . . . . 65.1 112.236 -176.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.5 m -70.63 -26.52 63.51 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.235 0.54 . . . . 53.1 110.318 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.4 99.73 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.961 -0.563 . . . . 73.11 111.96 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 21' ' ' GLN . 84.2 t -64.98 -41.05 91.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 120.956 0.408 . . . . 74.41 110.497 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.551 HG12 ' O ' ' B' ' 22' ' ' ILE . 50.4 mm -56.63 -45.69 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 121.059 0.457 . . . . 75.41 111.659 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' SER . . . . . 0.563 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 68.3 p -61.99 -41.27 97.86 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.385 -0.371 . . . . 63.1 111.783 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -87.75 15.15 7.31 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.191 0.441 . . . . 72.44 112.191 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' PHE . . . . . 0.415 ' HD1' ' HA ' ' B' ' 29' ' ' PHE . 0.4 OUTLIER -64.16 166.48 7.78 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.143 0.973 . . . . 75.21 113.09 177.758 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.79 35.26 0.67 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.39 -1.277 . . . . 71.24 111.604 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 10.2 t -155.89 167.2 31.17 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.022 -0.535 . . . . 65.14 110.848 173.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -93.81 126.78 39.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.965 0.412 . . . . 63.01 111.551 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.498 ' HA ' HG22 ' B' ' 51' ' ' ILE . 70.2 mt -66.97 127.97 29.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 116.238 -0.437 . . . . 43.11 111.235 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 34' ' ' ARG . 17.3 mmm180 -104.61 -38.01 6.9 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.542 0.687 . . . . 72.23 109.724 174.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.555 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 87.0 m -153.23 131.64 12.1 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.435 -0.802 . . . . 70.31 110.124 174.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.63 HG22 ' HB3' ' A' ' 38' ' ' LEU . 9.6 tp -134.96 132.42 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.026 0.441 . . . . 73.15 110.56 176.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.509 HG13 HG22 ' A' ' 37' ' ' VAL . 60.4 t -127.0 147.3 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.387 -0.369 . . . . 72.45 110.515 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.592 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.6 tt -144.7 114.58 7.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.506 -0.553 . . . . 75.23 109.506 172.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -119.33 107.32 13.24 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.575 0.213 . . . . 64.54 111.575 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -88.47 107.98 19.15 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.132 0.491 . . . . 33.23 110.207 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -128.98 152.2 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.004 -0.544 . . . . 74.05 110.457 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 62.61 -72.97 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.407 0.623 . . . . 74.52 111.26 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.66 19.18 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 CA-C-N 115.804 -0.634 . . . . 51.14 111.724 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 mt -141.59 157.59 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 123.087 0.555 . . . . 74.35 109.72 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.521 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.1 p90 -119.65 136.22 54.49 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.929 0.395 . . . . 74.04 111.743 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.0 t -109.51 100.66 9.7 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.114 0.483 . . . . 71.03 110.744 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 42.5 t -92.27 116.88 29.35 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.261 -0.427 . . . . 61.51 111.22 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -104.51 112.08 25.0 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.667 0.27 . . . . 71.53 111.053 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.576 HD23 HD12 ' B' ' 8' ' ' ILE . 49.9 tp -98.41 131.38 44.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.874 0.369 . . . . 74.32 111.737 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.555 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 64.2 mmm -126.92 111.81 14.56 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.127 -0.488 . . . . 43.03 111.169 177.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.498 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.5 pp -143.96 159.36 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 116.218 -0.446 . . . . 63.53 111.612 -177.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -87.03 142.32 28.02 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.421 0.629 . . . . 54.34 112.363 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 21.4 m -141.1 160.6 22.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 115.58 -0.736 . . . . 72.41 110.592 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.588 ' H ' ' HD2' ' B' ' 54' ' ' LYS . 0.0 OUTLIER -99.04 -3.46 34.73 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.892 0.377 . . . . 73.52 111.495 177.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.49 ' ND2' ' HB3' ' B' ' 57' ' ' ASP . 23.2 p-10 -172.49 164.65 5.63 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.657 0.383 . . . . 75.2 111.158 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.401 ' O ' HG23 ' B' ' 60' ' ' THR . 76.8 p -73.05 -26.76 61.4 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.255 0.465 . . . . 54.32 112.255 -177.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.49 ' HB3' ' ND2' ' B' ' 55' ' ' ASN . 26.5 t70 -64.3 -37.14 86.44 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.584 0.706 . . . . 62.25 110.288 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -57.7 -42.68 84.21 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.442 -0.799 . . . . 53.13 110.649 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.501 HD21 ' HG3' ' B' ' 77' ' ' ARG . 54.7 tp -66.98 -44.12 81.25 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.712 -0.677 . . . . 72.43 111.781 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' THR . . . . . 0.401 HG23 ' O ' ' B' ' 56' ' ' THR . 67.9 p -62.24 -28.05 69.42 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 122.291 -0.256 . . . . 74.12 111.517 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.476 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 81.9 m -60.09 -47.62 85.11 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.138 0.494 . . . . 62.54 110.564 177.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.12 -46.18 85.33 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.059 -0.518 . . . . 64.13 111.779 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 68.1 mtm -60.24 -33.77 72.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 111.619 0.229 . . . . 72.34 111.619 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 16.0 t70 -66.29 -45.42 80.49 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.892 0.377 . . . . 72.13 110.344 174.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' B' ' 61' ' ' THR . 57.3 mtpt -55.33 -35.73 65.49 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.975 -0.557 . . . . 65.23 111.324 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 66.2 mt -76.05 -41.28 51.21 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.951 -0.568 . . . . 74.51 111.867 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -63.62 -8.09 9.03 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.386 0.513 . . . . 74.23 112.386 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' B' ' 68' ' ' LYS . 0.0 OUTLIER -73.02 -13.5 61.23 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 112.164 0.431 . . . . 61.23 112.164 176.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.512 HG11 ' SD ' ' B' ' 18' ' ' MET . 62.5 t -89.89 121.78 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 O-C-N 122.086 -0.384 . . . . 70.32 111.695 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -57.66 -34.76 69.71 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.136 -0.484 . . . . 74.23 112.278 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.425 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -64.19 -25.81 69.97 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 114.085 0.394 . . . . 35.23 114.085 -177.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.84 141.17 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 117.009 0.405 . . . . 71.14 111.49 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.9 -22.05 7.49 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.288 0.477 . . . . 75.05 112.288 175.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.648 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.8 p -123.08 118.43 27.7 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.245 0.545 . . . . 72.11 111.782 176.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.8 t -133.35 104.35 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.149 -0.686 . . . . 54.11 109.149 169.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -137.45 162.52 33.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.238 0.542 . . . . 74.24 112.053 -173.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.501 ' HG3' HD21 ' B' ' 59' ' ' LEU . 14.1 ttp180 -86.07 133.03 33.92 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.83 -0.623 . . . . 74.55 112.147 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' B' ' 9' ' ' ARG . 98.1 mt -85.27 111.38 19.81 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.127 0.489 . . . . 72.13 111.033 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 77.8 p -80.34 -66.61 0.86 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.118 0.485 . . . . 60.5 111.096 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -73.32 103.65 4.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.101 -0.5 . . . . 71.15 111.311 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' B' ' 83' ' ' HIS . 48.1 mt -90.97 144.86 25.23 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.196 0.522 . . . . 62.23 112.233 -177.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -84.59 3.88 34.76 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.956 -0.565 . . . . 73.44 111.295 176.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.404 ' NE2' ' HE2' ' B' ' 50' ' ' MET . 34.9 m-70 -74.6 -28.25 60.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.985 -0.552 . . . . 73.12 112.127 -173.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -78.44 85.17 4.55 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 109.458 -0.571 . . . . 54.42 109.458 170.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -72.97 71.55 1.08 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.329 0.585 . . . . 75.24 110.619 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -133.74 80.24 1.86 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.837 -0.619 . . . . 72.42 111.537 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -126.17 18.95 7.67 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.367 0.603 . . . . 71.31 110.071 171.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 24.3 t60 . . . . . 0 C--O 1.251 1.136 0 CA-C-N 115.148 -0.933 . . . . 75.21 110.621 -177.305 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttp . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.781 0.324 . . . . 63.44 111.237 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -174.6 171.44 3.27 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.844 0.354 . . . . 65.33 111.134 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -72.87 139.53 46.97 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.478 -0.328 . . . . 74.5 111.176 176.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -116.1 153.09 32.37 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.22 0.533 . . . . 62.23 111.11 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.8 tp -75.36 103.61 5.58 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.197 0.523 . . . . 72.23 111.424 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.58 158.61 15.8 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.828 -0.624 . . . . 61.22 111.631 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.2 144.03 15.06 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 121.3 -0.476 . . . . 64.44 112.661 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.3 mt -133.19 140.14 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 122.601 -0.352 . . . . 63.32 110.763 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HB2' HD21 ' A' ' 78' ' ' LEU . 47.2 ttp180 -118.04 126.45 52.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.9 0.381 . . . . 73.15 110.841 175.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.585 HD11 HD13 ' A' ' 66' ' ' LEU . 24.7 mt -113.31 116.0 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 116.077 -0.51 . . . . 74.53 110.632 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.605 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 71.5 t -115.99 113.54 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.6 0.714 . . . . 72.13 111.705 178.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.08 171.88 22.9 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.331 -0.85 . . . . 11.34 112.388 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -67.45 124.71 23.94 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.238 0.542 . . . . 71.32 112.169 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -64.54 104.74 0.84 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.996 -0.547 . . . . 73.12 111.52 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -130.51 175.85 8.64 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.636 0.731 . . . . 60.21 112.808 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -77.4 48.5 0.65 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.669 -1.151 . . . . 72.02 112.629 -174.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.33 -28.84 0.24 Allowed Glycine 0 CA--C 1.526 0.736 0 C-N-CA 121.101 -0.571 . . . . 72.52 113.296 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.463 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 70.1 mmm -53.09 -50.46 64.34 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.667 0.617 . . . . 74.43 112.667 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -60.02 -29.74 68.7 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.055 0.455 . . . . 53.0 111.614 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' B' ' 27' ' ' SER . 13.3 m120 -76.32 -48.68 19.18 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.147 0.498 . . . . 73.51 110.985 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.7 pt20 -66.19 -37.62 86.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.241 -0.436 . . . . 74.35 111.629 -176.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.1 mm -61.06 -54.3 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 112.598 0.592 . . . . 74.34 112.598 -176.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 m -73.36 -26.91 61.21 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.436 0.636 . . . . 63.23 110.078 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -57.18 -41.24 92.66 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 115.669 -0.696 . . . . 74.35 112.38 171.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 21' ' ' GLN . 69.8 t -67.23 -39.99 84.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.045 0.45 . . . . 75.23 110.853 174.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.471 HG21 HD13 ' A' ' 49' ' ' LEU . 68.2 mt -57.08 -42.04 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 116.146 -0.479 . . . . 75.32 112.096 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 63.3 p -62.23 -21.97 65.58 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.775 0.321 . . . . 73.22 111.742 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 25.0 mtpp -79.71 -0.5 34.37 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 111.936 0.347 . . . . 73.04 111.936 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -75.71 165.66 24.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.788 0.804 . . . . 61.23 112.977 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.32 -28.94 38.09 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.718 -1.128 . . . . 75.12 111.203 -177.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 t -86.24 170.09 12.43 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.786 -0.643 . . . . 74.41 112.463 -174.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.414 ' O ' HG22 ' A' ' 51' ' ' ILE . 26.5 t-20 -99.9 136.83 39.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.059 0.457 . . . . 70.44 111.267 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.544 HG13 ' ND2' ' B' ' 20' ' ' ASN . 62.4 mt -79.1 103.19 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 121.058 0.456 . . . . 72.54 111.662 -177.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -75.5 -35.54 60.76 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.072 0.463 . . . . 64.42 110.447 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.628 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 56.1 m -156.92 132.7 9.47 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.065 -0.516 . . . . 54.54 111.739 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.762 HD11 ' SG ' ' A' ' 47' ' ' CYS . 9.1 tp -135.66 126.18 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 120.623 0.249 . . . . 74.12 110.333 172.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.422 HG22 HG13 ' B' ' 37' ' ' VAL . 58.6 t -135.1 104.24 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.83 0.348 . . . . 74.14 111.758 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.628 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.8 tt -107.49 124.25 49.61 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 110.067 -0.346 . . . . 74.43 110.067 177.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -131.14 124.98 31.87 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.134 0.492 . . . . 70.35 111.436 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -98.4 116.39 30.53 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.056 -0.52 . . . . 53.21 110.729 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.459 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -142.58 146.79 34.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.957 -0.565 . . . . 73.13 110.7 -177.203 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.0 t70 66.09 6.38 4.1 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.157 0.428 . . . . 74.45 112.157 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.06 -1.4 47.62 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.132 -0.556 . . . . 74.33 113.233 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mt -123.4 164.39 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.61 -0.515 . . . . 71.02 109.61 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.511 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 30.5 p90 -131.52 143.12 50.15 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.98 -0.45 . . . . 74.13 111.375 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.532 ' HB ' HG22 ' A' ' 11' ' ' VAL . 2.1 t -120.72 114.08 21.15 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.043 0.449 . . . . 73.01 111.355 173.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.762 ' SG ' HD11 ' A' ' 36' ' ' ILE . 42.8 t -93.62 116.86 29.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.112 -0.495 . . . . 75.31 110.94 175.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.419 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.3 m-20 -100.88 106.24 17.58 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.775 0.321 . . . . 70.24 111.246 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.471 HD13 HG21 ' A' ' 26' ' ' ILE . 62.0 tp -98.68 128.41 44.94 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.048 0.451 . . . . 64.33 111.874 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.564 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 75.8 mmm -121.59 106.82 11.72 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.167 -0.47 . . . . 53.04 110.716 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -142.12 166.0 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 116.113 -0.494 . . . . 65.45 111.922 -175.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -92.47 135.38 34.1 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.028 0.442 . . . . 75.45 111.666 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.2 m -125.46 142.05 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 120.993 0.425 . . . . 55.24 111.182 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -63.8 -29.09 70.33 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.36 0.504 . . . . 71.32 112.36 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -166.37 175.94 7.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.995 0.426 . . . . 73.33 111.464 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.7 p -64.26 -35.12 79.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.291 -0.413 . . . . 61.01 111.954 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -60.77 -41.94 96.51 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.856 0.836 . . . . 71.52 110.593 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -60.95 -43.08 99.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.782 -1.099 . . . . 73.53 111.093 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.0 -47.44 83.09 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.035 -0.53 . . . . 73.03 111.559 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.8 p -62.77 -29.62 70.84 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.862 0.363 . . . . 73.23 111.264 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.4 m -67.55 -41.76 83.73 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.863 0.363 . . . . 61.22 111.383 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.87 -37.35 84.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.829 0.347 . . . . 74.41 110.973 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.5 mtt -58.37 -44.2 88.77 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.052 0.453 . . . . 74.34 111.06 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 25.8 t70 -62.72 -43.83 97.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.753 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -56.09 -48.32 76.35 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.248 0.547 . . . . 73.52 111.617 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 10' ' ' ILE . 52.5 mt -71.26 -26.36 62.86 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.988 -0.551 . . . . 70.52 111.643 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -79.8 -6.69 57.82 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 120.951 0.405 . . . . 74.34 111.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 75.5 mmtt -70.66 -7.22 42.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 122.17 -0.331 . . . . 53.12 111.614 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.1 t -93.36 115.63 32.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.901 0.381 . . . . 74.04 111.405 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -57.35 -29.77 64.28 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.631 0.604 . . . . 63.12 112.631 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.72 -9.83 84.89 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.957 -0.64 . . . . 63.41 113.949 -178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.6 t -100.93 128.41 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 117.325 0.563 . . . . 63.22 111.679 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.09 -20.74 13.32 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.42 0.526 . . . . 74.21 112.42 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.605 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.2 p -126.01 124.91 41.74 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.346 0.593 . . . . 62.15 111.91 177.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.21 104.88 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 109.207 -0.664 . . . . 71.53 109.207 172.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -137.01 161.24 36.6 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.276 0.473 . . . . 72.22 112.276 -168.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -84.22 136.02 34.12 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.045 0.45 . . . . 75.22 111.496 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 9' ' ' ARG . 97.9 mt -82.18 97.76 8.38 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.16 169.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.8 p -75.37 -60.78 2.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.089 0.471 . . . . 63.1 110.938 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -68.31 105.08 2.03 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.126 -0.488 . . . . 72.0 111.283 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' HB3' ' HD2' ' A' ' 83' ' ' HIS . 81.3 mt -110.3 152.71 25.85 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.121 -0.49 . . . . 74.44 111.778 -178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.04 8.3 44.97 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.1 -0.5 . . . . 74.2 111.968 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.468 ' HD2' ' HB3' ' A' ' 81' ' ' LEU . 31.2 m-70 -72.89 100.69 2.98 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 120.916 0.388 . . . . 61.44 111.609 -176.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -71.18 -44.28 65.77 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.07 0.462 . . . . 63.3 111.039 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -112.84 119.12 36.9 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.188 -0.46 . . . . 62.21 109.919 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -89.76 -11.48 42.08 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.046 0.758 . . . . 75.23 113.046 -168.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -141.87 116.25 9.55 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.562 0.22 . . . . 64.14 111.437 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 53.6 t60 . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.518 -0.753 . . . . 71.0 111.713 177.799 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tpt . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.915 0.388 . . . . 70.24 111.261 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 14.4 t -160.9 -35.59 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.198 0.523 . . . . 73.22 110.705 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -74.87 156.72 36.12 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.86 -0.609 . . . . 62.41 110.918 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -129.12 158.77 38.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.217 0.532 . . . . 75.53 111.173 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 47.1 tp -77.03 107.04 9.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.834 -0.621 . . . . 74.33 110.797 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.441 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -101.18 154.38 18.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.117 -0.492 . . . . 54.34 112.101 -177.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' B' ' 49' ' ' LEU . . . -131.26 142.65 14.04 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.203 -0.453 . . . . 70.34 113.081 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.74 HD12 HD23 ' B' ' 49' ' ' LEU . 46.4 mt -127.44 145.45 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 122.476 -0.426 . . . . 65.42 111.53 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.678 HH21 ' ND2' ' B' ' 48' ' ' ASN . 17.6 tpp85 -119.79 121.53 39.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.741 0.416 . . . . 73.4 111.255 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.794 HD11 HD13 ' B' ' 66' ' ' LEU . 42.5 mt -119.44 118.1 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.406 -0.361 . . . . 75.53 111.163 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.577 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 74.6 t -120.31 116.94 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.385 0.612 . . . . 74.24 111.028 174.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.43 171.08 26.6 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.694 -0.685 . . . . 54.51 112.899 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.74 138.57 48.58 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.459 0.647 . . . . 72.32 112.365 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -78.41 85.02 4.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.816 -0.629 . . . . 73.53 111.898 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -96.03 161.16 14.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.536 0.684 . . . . 73.45 112.441 170.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -47.58 -37.03 11.56 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.605 -1.179 . . . . 72.24 112.9 -175.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.11 -0.68 20.86 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.944 -0.646 . . . . 22.55 114.151 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.469 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 34.7 mmm -69.32 -52.0 31.57 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 117.808 0.804 . . . . 65.42 112.9 -176.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 67.7 p -63.09 -28.99 70.46 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.3 0.571 . . . . 72.41 111.051 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.544 ' ND2' HG13 ' A' ' 33' ' ' ILE . 11.6 m120 -76.1 -48.33 21.12 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.902 -0.59 . . . . 73.41 111.089 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.535 ' O ' HG23 ' B' ' 25' ' ' VAL . 10.1 pt20 -66.78 -38.49 86.65 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.063 -0.517 . . . . 61.12 111.336 -177.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.542 ' O ' HG12 ' B' ' 26' ' ' ILE . 11.9 mm -60.81 -54.17 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 112.006 0.373 . . . . 54.34 112.006 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.1 m -70.52 -26.94 63.81 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.466 0.65 . . . . 75.43 110.449 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.61 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -60.18 -52.28 53.73 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 120.979 -0.629 . . . . 64.33 112.277 172.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 21' ' ' GLN . 88.2 t -57.09 -38.08 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 120.696 0.284 . . . . 64.31 111.161 177.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.702 HD12 HD22 ' B' ' 49' ' ' LEU . 51.2 mm -52.76 -47.85 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 121.403 0.62 . . . . 45.02 110.921 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' ASN . 5.6 m -61.12 -30.59 70.46 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.656 -0.702 . . . . 75.41 111.391 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 44.7 mtpt -81.49 -0.29 41.17 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.999 -0.546 . . . . 62.1 112.334 -173.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -72.54 169.49 16.37 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.565 0.698 . . . . 73.01 112.537 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -27.53 57.72 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.364 -0.835 . . . . 61.53 111.526 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 9.9 t -86.43 168.82 13.43 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.766 -0.652 . . . . 63.11 112.607 -172.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -99.45 128.43 45.56 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.964 -0.562 . . . . 63.35 110.837 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.51 ' HA ' HG22 ' B' ' 51' ' ' ILE . 64.7 mt -76.51 112.38 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 112.52 0.563 . . . . 54.1 112.52 -175.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -84.63 -40.63 17.22 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.017 0.437 . . . . 61.02 110.85 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.511 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 31.2 m -152.11 133.33 14.4 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.921 0.391 . . . . 63.12 111.517 178.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.628 HG22 ' HB3' ' A' ' 38' ' ' LEU . 9.3 tp -138.24 131.5 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 120.921 0.391 . . . . 73.33 110.426 174.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.52 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 85.1 t -126.29 141.88 44.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.477 -0.329 . . . . 64.33 110.841 178.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.628 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.0 tt -144.65 112.67 6.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.392 -0.596 . . . . 65.44 109.392 169.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.421 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 3.0 p-10 -125.67 115.98 20.96 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.218 0.533 . . . . 71.23 111.047 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -103.35 129.81 50.49 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.737 0.643 . . . . 51.51 112.737 -175.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.493 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 0.1 OUTLIER -144.45 151.85 39.79 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.688 -0.687 . . . . 70.44 110.605 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 67.01 9.46 6.92 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 112.356 0.502 . . . . 70.2 112.356 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.87 15.73 59.08 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 120.915 -0.659 . . . . 14.1 112.637 -173.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.5 mt -131.35 159.94 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 122.898 0.479 . . . . 74.03 109.779 175.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.562 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 42.7 p90 -129.37 148.98 51.34 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.942 -0.474 . . . . 75.43 111.449 177.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -122.81 101.05 7.22 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.274 0.559 . . . . 63.33 111.446 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.607 ' HB3' ' HB ' ' B' ' 10' ' ' ILE . 45.8 t -88.02 131.52 34.61 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.104 -0.498 . . . . 72.0 111.998 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.678 ' ND2' HH21 ' B' ' 9' ' ' ARG . 3.3 m-20 -113.25 108.19 16.92 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.304 -0.407 . . . . 72.4 110.455 177.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.74 HD23 HD12 ' B' ' 8' ' ' ILE . 39.2 tp -98.43 128.45 44.81 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.695 0.283 . . . . 70.32 111.692 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.511 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 63.2 mmm -125.17 106.29 9.79 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.921 0.391 . . . . 51.12 111.303 177.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.51 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -145.86 159.86 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.095 0.474 . . . . 55.11 111.931 -176.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -87.49 131.03 34.49 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.085 0.469 . . . . 75.34 111.823 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 20.1 m -122.23 141.83 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 121.049 0.452 . . . . 74.53 111.534 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.581 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 18.3 ptpt -69.36 -25.9 64.4 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.135 -0.484 . . . . 71.34 112.274 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.581 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 8.9 p30 -158.39 169.76 23.75 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.892 0.377 . . . . 63.23 111.57 177.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.0 p -68.81 -36.98 78.92 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.222 0.452 . . . . 64.24 112.222 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.33 -34.58 78.67 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.36 0.6 . . . . 73.41 110.374 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -58.07 -44.13 87.34 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.719 -0.673 . . . . 72.2 110.515 172.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.442 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 61.4 tp -63.77 -47.51 80.67 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.955 -0.566 . . . . 61.42 111.351 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' THR . . . . . 0.499 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 71.7 p -66.11 -29.84 70.23 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.56 -0.291 . . . . 63.22 111.253 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 45.3 m -61.74 -42.75 99.38 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.793 0.33 . . . . 60.03 111.019 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 64.2 mt -59.18 -40.86 86.99 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.713 0.292 . . . . 74.52 110.79 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.499 ' SD ' ' HA ' ' B' ' 60' ' ' THR . 55.3 mtt -54.04 -51.65 63.34 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.091 0.472 . . . . 73.42 110.848 174.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.422 ' O ' ' HE2' ' B' ' 68' ' ' LYS . 20.6 t70 -58.12 -44.6 87.82 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.688 -0.687 . . . . 62.13 110.869 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -57.52 -45.4 85.04 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.079 0.466 . . . . 74.42 111.68 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.794 HD13 HD11 ' B' ' 10' ' ' ILE . 41.2 mt -75.71 -26.39 57.48 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.989 -0.55 . . . . 74.31 111.631 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -74.93 -8.7 57.24 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.319 -0.4 . . . . 75.34 112.0 -177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' B' ' 64' ' ' ASP . 72.5 mmtt -72.75 -18.64 61.49 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.698 0.285 . . . . 61.32 111.668 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 45.0 t -75.98 120.34 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.04 0.448 . . . . 61.11 111.812 -175.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -53.41 -32.24 48.71 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.035 0.754 . . . . 61.23 113.035 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.26 -24.98 72.0 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 121.15 -0.548 . . . . 71.24 113.658 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 52.7 t -86.69 136.74 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 122.266 -0.549 . . . . 73.24 111.437 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -122.02 -7.01 8.93 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.08 0.4 . . . . 73.34 112.08 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.577 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.2 p -137.93 121.94 17.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.978 0.418 . . . . 74.44 111.319 174.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 34.4 t -132.15 104.84 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 N-CA-C 109.855 -0.424 . . . . 72.02 109.855 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -128.13 175.26 8.56 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.241 0.543 . . . . 54.23 112.43 -172.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.441 ' HB2' ' HE2' ' B' ' 63' ' ' MET . 31.2 ttp180 -98.18 142.07 30.32 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.858 -0.61 . . . . 73.13 111.374 175.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' B' ' 9' ' ' ARG . 93.4 mt -95.61 121.73 37.61 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.543 -0.299 . . . . 52.44 110.545 174.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 33.1 t -99.83 -40.83 7.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.871 0.367 . . . . 73.21 111.306 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -83.53 82.68 8.19 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.622 0.725 . . . . 73.13 111.229 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.4 mt -85.94 -27.29 25.03 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.745 -0.662 . . . . 72.04 112.596 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.724 ' HG3' ' H ' ' B' ' 83' ' ' HIS . 9.9 pt-20 58.46 -89.54 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.63 1.172 . . . . 70.34 110.68 -173.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.724 ' H ' ' HG3' ' B' ' 82' ' ' GLU . 22.0 m80 68.25 -26.34 0.14 Allowed 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 113.791 1.034 . . . . 73.1 113.791 172.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -141.57 100.01 3.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.999 0.519 . . . . 74.43 109.711 174.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -67.94 98.48 0.75 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.513 0.56 . . . . 70.4 112.513 -174.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -116.37 -6.34 11.77 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.019 -0.537 . . . . 74.11 111.446 174.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -150.94 125.04 9.3 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.427 -0.352 . . . . 73.55 110.896 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.585 -0.721 . . . . 62.3 111.429 178.47 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.566 ' SD ' ' N ' ' A' ' 1' ' ' MET . 3.1 mpp? . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 121.05 0.452 . . . . 65.4 110.779 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.9 m -88.43 81.83 7.12 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.106 0.479 . . . . 61.34 110.379 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -161.18 152.42 18.8 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.844 -0.616 . . . . 75.42 111.034 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -142.49 162.78 34.6 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.976 0.417 . . . . 73.45 111.288 -178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.7 tp -84.33 105.54 15.25 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.17 0.509 . . . . 62.45 111.073 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.74 161.01 14.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 74.33 111.617 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -139.26 146.32 17.89 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 120.987 -0.625 . . . . 54.43 113.438 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.0 mt -135.18 127.72 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.596 0.359 . . . . 64.32 110.592 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HB2' HD21 ' A' ' 78' ' ' LEU . 16.3 ttt180 -102.47 127.06 49.68 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.158 0.504 . . . . 73.14 111.491 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.429 HD11 HD13 ' A' ' 66' ' ' LEU . 36.0 mt -116.01 117.73 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 115.718 -0.674 . . . . 71.31 111.211 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.611 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 68.8 t -119.58 115.48 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 121.535 0.683 . . . . 61.1 110.802 173.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.04 169.36 24.99 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.449 -0.796 . . . . 54.3 112.443 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -75.98 129.67 37.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.228 0.537 . . . . 64.42 111.825 -176.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -72.37 117.0 13.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.103 -0.499 . . . . 62.51 110.761 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -163.93 135.55 4.73 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.314 0.487 . . . . 64.33 112.314 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 41.84 22.08 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.136 1.532 . . . . 73.33 115.136 173.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.79 22.71 7.87 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 121.072 -0.585 . . . . 61.22 114.342 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.481 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 24.4 mmm -53.8 -44.18 69.95 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.118 0.485 . . . . 74.32 111.613 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 64.1 p -59.56 -30.17 68.45 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.262 -0.426 . . . . 74.25 111.726 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.421 ' OD1' ' HA ' ' B' ' 32' ' ' ASN . 14.0 m120 -76.72 -49.32 16.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.96 0.41 . . . . 74.04 110.814 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.481 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.0 pt20 -64.33 -40.93 96.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.224 -0.443 . . . . 74.11 111.521 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 22' ' ' ILE . 11.2 mm -56.86 -53.61 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.494 0.553 . . . . 62.44 112.494 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.497 HG21 HG21 ' B' ' 23' ' ' THR . 17.4 m -73.77 -27.44 61.16 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.074 0.464 . . . . 74.32 110.618 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.23 98.32 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.03 -0.605 . . . . 72.01 112.33 173.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 21' ' ' GLN . 87.2 t -67.24 -38.94 81.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.916 0.388 . . . . 54.32 111.105 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG21 HD13 ' A' ' 49' ' ' LEU . 61.9 mt -53.89 -44.31 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 N-CA-C 112.318 0.488 . . . . 73.33 112.318 178.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.8 p -60.24 -22.33 62.9 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.236 0.458 . . . . 71.14 112.236 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -80.63 -5.26 56.65 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 112.517 0.562 . . . . 72.33 112.517 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -67.53 173.42 4.15 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.942 0.719 . . . . 72.25 112.942 -176.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.44 7.88 10.76 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.697 -0.683 . . . . 73.45 111.813 -178.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -134.43 168.81 18.26 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.437 0.532 . . . . 52.33 112.437 -172.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.643 ' HA ' HD21 ' B' ' 20' ' ' ASN . 22.2 m120 -105.82 127.94 53.42 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.207 0.527 . . . . 73.23 111.721 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.489 ' HA ' HG22 ' A' ' 51' ' ' ILE . 3.1 mp -70.79 121.59 20.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.891 -0.595 . . . . 63.25 111.2 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.22 -23.45 16.17 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.073 0.463 . . . . 72.53 111.12 176.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 70.5 m -155.59 132.69 10.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.157 -0.474 . . . . 71.12 110.927 177.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.695 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.7 tp -137.98 126.43 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 120.919 0.39 . . . . 72.12 110.389 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.5 t -126.63 104.32 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 120.707 0.289 . . . . 70.33 110.921 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.532 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.5 tt -115.43 114.89 25.67 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.918 -0.401 . . . . 71.31 109.918 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.485 ' HB3' HG23 ' B' ' 35' ' ' THR . 4.2 p-10 -130.82 119.85 22.85 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.398 0.618 . . . . 72.43 111.545 178.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -99.63 123.27 43.74 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.818 -0.628 . . . . 61.22 111.582 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.517 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -137.54 145.33 42.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.098 -0.501 . . . . 64.13 110.796 178.28 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 57.61 19.79 5.71 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.89 0.7 . . . . 75.13 112.89 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.41 0.8 59.39 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.206 -0.521 . . . . 71.45 113.968 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.95 159.71 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 117.057 0.429 . . . . 74.21 110.057 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.534 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 42.7 p90 -127.67 146.17 50.65 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 122.212 -0.305 . . . . 71.54 111.303 177.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.414 HG23 ' OD1' ' A' ' 39' ' ' ASN . 2.0 t -122.06 99.85 6.66 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.101 0.477 . . . . 74.21 110.865 174.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.695 ' SG ' HD11 ' A' ' 36' ' ' ILE . 52.9 t -96.93 118.46 33.4 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.449 -0.341 . . . . 64.03 111.641 -178.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.456 ' O ' HD12 ' A' ' 36' ' ' ILE . 70.1 m-20 -99.11 112.34 24.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.815 0.34 . . . . 74.31 110.757 178.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.473 HD13 HG21 ' A' ' 26' ' ' ILE . 33.6 tp -97.34 123.87 41.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.15 -0.477 . . . . 71.03 111.413 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.429 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 63.5 mmm -118.97 111.72 18.69 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.028 0.442 . . . . 75.24 111.23 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.489 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -140.53 158.43 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.011 -0.54 . . . . 63.22 111.836 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -92.0 133.7 35.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.91 0.386 . . . . 74.42 111.948 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.05 153.0 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 116.246 -0.434 . . . . 70.32 111.217 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . 41.5 mtmt -85.74 -31.8 22.22 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.239 0.542 . . . . 75.55 110.566 173.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -137.12 148.6 46.78 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.853 -0.612 . . . . 54.21 111.757 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.4 p -64.77 -20.47 66.38 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.304 -0.407 . . . . 74.32 111.4 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.4 -49.99 75.37 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.249 -0.432 . . . . 73.43 111.351 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.88 -32.81 73.2 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.951 0.405 . . . . 64.24 109.941 177.573 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.7 tp -65.48 -47.55 75.65 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.948 -0.569 . . . . 65.31 111.456 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.7 p -68.74 -30.34 68.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.104 0.478 . . . . 62.44 111.143 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 95.3 m -61.4 -43.41 98.91 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.286 -0.416 . . . . 63.54 111.115 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 58' ' ' LYS . 63.7 mt -59.33 -38.33 80.05 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.501 -0.318 . . . . 72.42 111.217 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.8 mtt -54.55 -50.56 67.62 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.279 -0.418 . . . . 62.14 111.092 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 18.8 t70 -57.09 -43.5 82.25 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.231 -0.441 . . . . 73.45 110.95 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -58.23 -45.01 88.51 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.264 0.554 . . . . 75.21 111.245 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.429 HD13 HD11 ' A' ' 10' ' ' ILE . 64.7 mt -68.53 -32.14 71.88 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.056 -0.52 . . . . 73.45 111.429 178.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -75.01 -8.76 57.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.283 -0.417 . . . . 62.34 111.816 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.576 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -72.4 -12.82 61.27 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.631 0.253 . . . . 73.54 111.235 175.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 68.8 t -86.52 123.96 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.214 0.531 . . . . 71.03 111.375 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -59.58 -34.44 72.72 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.399 0.518 . . . . 74.45 112.399 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.22 -20.32 74.91 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 121.032 -0.604 . . . . 62.31 114.325 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.3 t -93.17 145.97 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 117.839 0.819 . . . . 71.35 111.831 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -127.68 -11.23 5.55 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.752 0.649 . . . . 72.31 112.752 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.611 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.4 p -134.55 124.28 25.22 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.877 -0.515 . . . . 74.42 111.816 175.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.6 t -135.99 106.4 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.703 -0.48 . . . . 74.2 109.703 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -128.47 163.38 25.04 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.405 0.52 . . . . 55.11 112.405 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -85.04 142.93 29.22 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.051 0.453 . . . . 75.15 111.418 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 9' ' ' ARG . 96.7 mt -105.05 100.81 10.4 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.839 0.352 . . . . 74.41 110.824 175.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 p -79.99 -60.82 2.19 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.124 0.488 . . . . 74.14 111.206 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -72.92 119.36 17.06 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.046 -0.524 . . . . 74.33 110.4 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 83' ' ' HIS . 91.8 mt -122.06 148.93 44.24 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.293 0.568 . . . . 71.35 112.306 -175.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -92.87 27.46 2.39 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.52 0.676 . . . . 74.05 110.691 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.402 ' HD2' ' HB3' ' A' ' 81' ' ' LEU . 32.6 m-70 -91.75 162.91 14.27 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.835 -0.62 . . . . 63.34 111.591 -176.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -118.4 97.04 5.56 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.407 -0.361 . . . . 73.51 111.753 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -79.31 -15.36 58.07 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 122.371 -0.206 . . . . 72.43 111.553 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 37.3 m80 58.24 77.43 0.29 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.565 -0.531 . . . . 64.24 109.565 -171.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -51.26 112.74 0.78 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.333 0.864 . . . . 63.52 113.333 -172.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 48.6 m80 . . . . . 0 C--O 1.253 1.277 0 CA-C-N 115.299 -0.864 . . . . 74.21 110.88 176.016 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.0 mmm . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 112.046 0.387 . . . . 62.03 112.046 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -88.93 12.35 15.56 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.399 0.619 . . . . 71.25 111.002 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER -92.06 153.55 19.32 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.654 -0.703 . . . . 74.15 112.421 -174.144 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -151.85 158.47 43.29 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.912 -0.585 . . . . 74.23 111.102 177.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.8 tp -77.56 109.02 11.15 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.018 -0.537 . . . . 75.22 111.083 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.449 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -102.61 158.94 15.88 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.968 -0.56 . . . . 75.34 111.849 -178.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.07 137.74 9.47 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.221 -0.514 . . . . 23.53 113.342 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 mt -121.93 147.18 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 122.74 0.416 . . . . 32.11 110.754 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.589 ' NE ' HG23 ' B' ' 11' ' ' VAL . 0.5 OUTLIER -122.25 118.46 28.6 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.543 -0.298 . . . . 55.13 110.199 -179.114 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.606 HD11 HD13 ' B' ' 66' ' ' LEU . 34.3 mt -115.04 118.62 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 122.389 0.276 . . . . 64.44 111.448 -176.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.589 HG23 ' NE ' ' B' ' 9' ' ' ARG . 55.4 t -119.72 120.26 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.247 0.546 . . . . 43.5 111.781 175.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.23 169.24 28.92 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.731 -0.668 . . . . 75.33 112.851 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.65 137.44 58.1 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 122.446 -0.444 . . . . 71.52 111.973 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -79.43 46.32 0.73 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.764 0.653 . . . . 75.31 112.764 -170.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -61.94 158.24 16.69 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 114.797 1.406 . . . . 73.2 114.797 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.08 64.88 0.06 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 113.48 -1.691 . . . . 53.41 111.472 171.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.31 -38.35 0.59 Allowed Glycine 0 CA--C 1.528 0.873 0 CA-C-N 116.056 -0.52 . . . . 54.2 113.179 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.575 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 35.0 mmm -52.68 -50.61 62.94 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.697 0.629 . . . . 71.21 112.697 -178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -56.73 -31.74 64.83 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.023 0.379 . . . . 65.15 112.023 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.643 HD21 ' HA ' ' A' ' 32' ' ' ASN . 1.8 m-20 -76.82 -48.3 18.89 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.108 0.48 . . . . 63.35 110.877 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.511 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 8.5 pt20 -65.55 -34.55 78.52 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.033 -0.53 . . . . 74.54 111.531 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.433 ' O ' HG13 ' B' ' 26' ' ' ILE . 10.0 mm -62.22 -53.78 43.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 111.923 0.342 . . . . 71.02 111.923 -178.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.497 HG21 HG21 ' A' ' 23' ' ' THR . 4.7 m -73.49 -27.13 61.22 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.034 0.445 . . . . 71.42 110.463 177.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.433 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -58.94 -48.39 85.95 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.277 -0.487 . . . . 64.34 112.475 173.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.18 -36.1 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 O-C-N 122.328 -0.513 . . . . 74.44 110.946 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' B' ' 29' ' ' PHE . 77.7 mt -62.74 -36.81 77.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 111.906 0.336 . . . . 63.21 111.906 176.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 82.7 p -70.56 -22.81 62.55 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.887 -0.508 . . . . 73.23 110.786 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 50.1 mtpt -82.11 -5.54 58.5 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.259 -0.428 . . . . 72.02 111.551 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' PHE . . . . . 0.451 ' CE1' ' HD3' ' B' ' 65' ' ' LYS . 2.3 m-30 -64.66 160.57 19.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.548 1.166 . . . . 72.43 113.85 -173.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.71 -27.87 68.65 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.5 -1.682 . . . . 72.13 112.329 177.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.4 t -105.19 169.22 8.57 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.351 0.5 . . . . 72.5 112.351 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASN . . . . . 0.51 ' O ' HG22 ' B' ' 51' ' ' ILE . 91.3 m-20 -97.99 128.92 44.85 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.991 0.424 . . . . 72.22 111.755 -176.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.5 103.47 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 116.205 -0.452 . . . . 71.31 111.395 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -82.13 -38.39 24.84 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.378 0.608 . . . . 75.13 110.302 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.595 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 27.3 m -155.7 152.42 28.57 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.619 -0.719 . . . . 73.13 109.956 175.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.532 HG22 ' HB3' ' A' ' 38' ' ' LEU . 20.1 tt -162.35 135.8 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 121.051 0.453 . . . . 70.22 111.893 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 62.5 t -130.73 109.92 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.049 -0.523 . . . . 75.53 111.083 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.603 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.1 tt -110.02 112.21 24.07 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.975 -0.38 . . . . 62.13 109.975 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -131.66 135.24 46.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 120.989 0.423 . . . . 72.02 111.547 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -108.6 129.14 55.32 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.174 0.511 . . . . 73.1 112.08 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.71 151.39 37.93 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.878 -0.601 . . . . 71.42 110.43 175.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 61.4 13.35 4.95 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.079 0.466 . . . . 72.54 111.767 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.19 19.12 61.38 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-N 116.377 -0.374 . . . . 75.41 113.063 -176.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mt -135.03 145.94 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 122.461 -0.435 . . . . 71.34 110.216 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.508 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 36.1 p90 -115.45 144.37 43.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.011 0.434 . . . . 64.11 111.251 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.58 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 2.5 t -118.14 107.27 13.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 72.52 111.112 175.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.477 ' SG ' HD11 ' B' ' 36' ' ' ILE . 47.8 t -94.26 97.43 10.24 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.19 -0.459 . . . . 71.31 111.172 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 3.1 m-20 -83.56 111.76 19.39 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.4 -0.364 . . . . 75.1 111.314 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.404 HD13 HD12 ' B' ' 36' ' ' ILE . 54.4 tp -99.99 130.7 46.18 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.954 0.407 . . . . 73.42 111.807 -178.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.595 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.0 mmm -120.95 113.62 20.36 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.936 0.398 . . . . 64.24 110.774 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.51 HG22 ' O ' ' B' ' 32' ' ' ASN . 2.3 pp -144.68 162.15 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 116.336 -0.393 . . . . 73.4 111.695 -176.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -90.35 135.48 33.65 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.102 0.477 . . . . 74.11 111.765 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 12.9 m -129.47 160.15 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.142 -0.481 . . . . 65.42 110.768 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -88.74 -11.6 44.6 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.762 0.315 . . . . 60.01 111.808 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 5.6 p30 -175.28 163.83 3.13 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.859 0.463 . . . . 75.41 110.584 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.7 p -64.45 -29.7 70.75 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.626 0.602 . . . . 73.34 112.626 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.32 -36.07 78.74 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.922 0.868 . . . . 53.21 110.125 177.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 22.7 tptp -62.35 -29.8 70.72 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.173 -0.921 . . . . 75.44 110.795 172.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.626 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 58.8 tp -77.13 -48.05 18.75 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.929 -0.578 . . . . 70.11 111.485 177.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 68.7 p -58.65 -37.61 76.34 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.032 0.444 . . . . 74.05 111.356 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 31.7 m -52.22 -40.24 61.33 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.04 -0.527 . . . . 63.51 112.007 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.24 -33.8 73.83 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.845 0.355 . . . . 74.2 110.97 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.626 ' HE3' ' HG ' ' B' ' 59' ' ' LEU . 51.1 mtt -61.72 -46.6 88.97 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.001 0.429 . . . . 64.33 110.62 176.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.442 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 34.8 t70 -57.83 -45.77 85.68 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.999 -0.546 . . . . 63.32 110.772 176.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.451 ' HD3' ' CE1' ' B' ' 29' ' ' PHE . 72.9 mttt -53.71 -49.59 67.74 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.215 0.531 . . . . 74.3 111.804 175.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.606 HD13 HD11 ' B' ' 10' ' ' ILE . 43.7 mt -70.71 -29.36 65.62 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.869 -0.605 . . . . 62.25 111.782 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -76.89 -8.22 56.95 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 120.704 0.288 . . . . 75.51 111.659 -177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 68.6 mmtt -74.07 -5.98 44.82 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.615 0.245 . . . . 65.21 111.56 176.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.434 HG12 ' H ' ' B' ' 71' ' ' GLY . 66.3 t -86.52 128.93 39.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 120.963 0.411 . . . . 71.42 111.601 -176.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -64.72 -30.09 71.09 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.759 0.651 . . . . 63.12 112.759 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.575 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -79.95 -17.74 74.07 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 120.834 -0.698 . . . . 71.03 114.106 -177.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.572 HG23 ' HE1' ' B' ' 18' ' ' MET . 58.9 t -95.81 141.28 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 117.372 0.586 . . . . 65.11 111.437 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.05 -20.06 9.49 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.233 0.457 . . . . 75.14 112.233 177.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.52 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.3 p -131.12 118.87 21.11 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.862 0.363 . . . . 63.31 111.847 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.485 HG11 ' HB2' ' B' ' 66' ' ' LEU . 21.8 t -130.74 103.25 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 109.733 -0.469 . . . . 64.41 109.733 171.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -129.9 177.92 6.91 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.092 0.472 . . . . 53.2 111.683 -173.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -92.23 145.48 24.46 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.212 0.53 . . . . 70.52 112.026 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -93.27 100.33 12.71 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.07 -0.514 . . . . 55.45 110.155 171.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 34.3 t -80.31 -21.25 42.75 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.208 -0.451 . . . . 71.03 112.05 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -112.68 108.72 17.87 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.721 0.296 . . . . 65.31 111.218 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 63.7 mt -108.74 166.77 10.56 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.036 0.446 . . . . 74.02 111.605 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.05 16.39 2.45 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.565 0.58 . . . . 60.41 112.565 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -59.08 -30.03 67.77 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.045 0.387 . . . . 63.54 112.045 -174.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -93.6 97.51 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.011 -0.737 . . . . 70.05 109.011 162.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -71.85 73.69 0.85 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.538 -0.756 . . . . 74.31 112.462 -169.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -82.88 93.34 7.47 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.365 -0.38 . . . . 75.4 110.733 173.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -71.85 126.42 29.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.902 0.382 . . . . 71.23 111.896 -175.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 14.0 p80 . . . . . 0 C--O 1.254 1.291 0 CA-C-O 118.492 -0.766 . . . . 75.21 111.338 176.031 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 ptp . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 120.8 0.334 . . . . 72.21 111.118 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t -168.02 162.33 13.2 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.418 -0.356 . . . . 61.41 111.164 173.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -159.94 152.23 20.82 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.853 0.359 . . . . 54.15 111.442 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 p90 -147.43 157.08 43.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.972 0.415 . . . . 75.4 110.724 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.8 tp -79.75 107.08 12.25 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.093 0.473 . . . . 74.41 110.641 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.514 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -96.32 144.73 26.22 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.101 0.408 . . . . 64.23 112.101 -177.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.27 137.64 13.82 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 121.373 -0.442 . . . . 72.32 113.241 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.484 HD12 HD23 ' A' ' 49' ' ' LEU . 35.8 mt -126.71 148.82 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.01 0.524 . . . . 71.22 110.371 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' HD21 ' A' ' 78' ' ' LEU . 59.7 ttt180 -131.14 121.88 25.67 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.844 0.355 . . . . 72.32 111.01 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.778 HD11 HD13 ' A' ' 66' ' ' LEU . 28.7 mt -113.03 116.68 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 116.1 -0.5 . . . . 65.33 110.929 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.617 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.9 t -116.95 114.6 46.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.581 0.705 . . . . 63.34 111.555 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.21 172.55 26.78 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 115.46 -0.791 . . . . 54.41 112.631 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 71' ' ' GLY . 15.3 pt-20 -65.27 139.07 58.58 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.974 0.416 . . . . 72.12 111.56 -178.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -78.56 45.78 0.6 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 112.793 0.664 . . . . 73.42 112.793 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -63.35 161.0 14.83 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 114.212 1.19 . . . . 74.23 114.212 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -45.38 -33.83 2.74 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 113.426 -1.715 . . . . 73.14 114.282 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.25 -0.09 8.12 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 120.801 -0.714 . . . . 41.23 114.097 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.595 ' SD ' ' HA3' ' A' ' 71' ' ' GLY . 38.2 mmm -68.43 -52.03 37.26 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.062 0.764 . . . . 73.34 113.062 -175.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.7 p -60.51 -31.09 70.16 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.09 0.471 . . . . 74.33 111.459 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -75.79 -47.76 24.48 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.979 -0.555 . . . . 54.41 110.771 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.485 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.4 pt20 -67.16 -35.24 79.25 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.036 0.384 . . . . 74.13 112.036 -177.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.2 mm -60.57 -53.32 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.213 0.449 . . . . 72.12 112.213 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 m -71.03 -27.65 63.82 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.098 0.475 . . . . 74.31 110.54 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.09 -45.15 95.7 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 121.166 -0.54 . . . . 73.35 112.445 172.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 21' ' ' GLN . 96.4 t -64.74 -37.72 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 121.117 0.484 . . . . 65.03 111.009 175.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.448 HG21 HD13 ' A' ' 49' ' ' LEU . 69.0 mt -59.06 -39.31 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.095 0.474 . . . . 75.51 111.392 175.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 m -58.67 -22.3 56.57 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.241 0.543 . . . . 75.41 111.503 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -84.49 -1.68 56.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.196 -0.456 . . . . 72.35 112.109 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -74.59 161.37 29.78 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.343 0.592 . . . . 75.23 112.044 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -24.06 58.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.776 -0.647 . . . . 75.11 111.428 -178.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.483 HG21 HD13 ' A' ' 51' ' ' ILE . 4.2 t -91.19 165.41 13.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.147 0.795 . . . . 73.31 113.147 -170.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -88.89 126.3 35.32 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.681 -0.691 . . . . 62.1 111.311 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' B' ' 20' ' ' ASN . 66.9 mt -67.33 94.49 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.226 0.536 . . . . 75.35 110.635 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -73.25 -35.47 66.24 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.389 0.614 . . . . 54.22 110.53 -178.043 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.537 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 23.5 m -158.46 149.42 20.56 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.466 -0.788 . . . . 41.34 110.048 178.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.426 HD12 HD13 ' A' ' 49' ' ' LEU . 18.6 tt -158.15 135.83 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 120.966 0.412 . . . . 75.23 111.684 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.574 HG22 HG13 ' B' ' 37' ' ' VAL . 60.3 t -132.28 104.71 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 116.188 -0.46 . . . . 75.53 111.422 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.545 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.1 tt -107.28 125.11 50.74 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.532 -0.544 . . . . 73.23 109.532 174.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.424 ' O ' ' HA ' ' A' ' 45' ' ' PHE . 3.8 p-10 -139.47 127.81 22.74 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.763 0.316 . . . . 65.12 111.2 175.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -93.09 100.2 12.65 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.309 0.576 . . . . 60.23 111.186 176.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.648 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -112.6 139.06 48.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.951 -0.568 . . . . 73.2 110.301 179.078 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.6 t70 63.77 17.46 10.49 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.391 0.615 . . . . 65.43 111.484 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.72 5.52 71.36 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 116.208 -0.451 . . . . 60.51 113.354 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.422 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 8.9 mt -129.07 144.52 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 122.251 -0.558 . . . . 73.41 110.643 176.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.562 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 37.3 p90 -108.65 139.09 43.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.986 0.422 . . . . 63.3 111.704 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 t -115.35 100.54 8.19 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.098 0.475 . . . . 50.4 110.794 173.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.45 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 47.0 t -89.64 101.3 13.99 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.254 -0.43 . . . . 74.05 111.486 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -88.32 108.72 19.48 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.286 -0.416 . . . . 74.31 110.98 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.484 HD23 HD12 ' A' ' 8' ' ' ILE . 58.9 tp -98.21 135.2 40.2 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.67 0.388 . . . . 33.32 111.75 -178.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.537 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 64.7 mmm -125.95 110.35 13.5 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.962 0.41 . . . . 64.25 111.069 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.499 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -140.75 160.15 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 121.007 0.432 . . . . 74.34 111.978 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' HE2' ' HD2' ' A' ' 34' ' ' ARG . 19.2 m-85 -91.79 121.93 33.87 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.296 0.57 . . . . 70.31 112.048 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.9 m -111.58 145.49 17.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 115.844 -0.617 . . . . 71.24 111.402 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.477 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -75.29 -17.99 60.15 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.204 0.446 . . . . 72.0 112.204 176.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.477 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 11.3 p30 -169.59 179.34 3.82 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.87 0.366 . . . . 73.13 111.539 177.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.2 p -69.97 -35.82 74.75 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.286 0.476 . . . . 60.21 112.286 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.16 -36.85 85.39 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.521 0.677 . . . . 72.43 110.124 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -46.38 83.53 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.559 -0.746 . . . . 72.52 110.569 173.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.514 HD13 ' HB1' ' A' ' 6' ' ' ALA . 51.5 tp -65.89 -48.14 72.49 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 111.997 0.369 . . . . 63.45 111.997 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 79.9 p -64.6 -34.62 78.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.715 0.293 . . . . 61.54 111.267 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 74.6 m -61.64 -47.75 83.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.522 -0.308 . . . . 72.34 110.748 173.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.7 mt -56.39 -50.96 70.07 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.122 0.415 . . . . 73.3 112.122 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 61.9 mtm -61.87 -35.34 78.04 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.82 0.343 . . . . 74.12 111.184 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -65.65 -39.73 91.72 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.837 0.351 . . . . 75.4 110.335 175.415 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 61' ' ' THR . 56.8 mtpt -57.79 -51.23 70.45 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.235 0.541 . . . . 71.44 111.255 175.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.778 HD13 HD11 ' A' ' 10' ' ' ILE . 38.0 mt -66.72 -30.18 70.35 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.825 -0.625 . . . . 74.21 112.105 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.471 ' HA ' HG21 ' A' ' 75' ' ' VAL . 42.7 ttm180 -71.09 -8.41 53.24 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.096 0.406 . . . . 72.11 112.096 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 26.4 mmtp -88.89 9.47 24.73 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 122.02 -0.425 . . . . 73.44 112.032 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.66 112.28 26.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 121.164 0.507 . . . . 73.13 110.876 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.467 ' H ' ' CD ' ' A' ' 70' ' ' GLN . 2.5 pm0 -54.11 -22.74 11.8 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.689 0.996 . . . . 72.13 113.689 -178.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.595 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -77.28 -14.83 82.14 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.639 -0.791 . . . . 74.35 113.551 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.464 HG23 ' HE1' ' A' ' 18' ' ' MET . 51.9 t -103.39 143.63 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 122.437 -0.449 . . . . 63.45 111.364 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.75 -15.2 8.93 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.346 0.499 . . . . 75.3 112.346 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.617 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -133.0 123.92 26.76 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.07 0.462 . . . . 72.24 111.256 175.271 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.471 HG21 ' HA ' ' A' ' 67' ' ' ARG . 41.7 t -133.3 103.13 5.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 109.305 -0.628 . . . . 72.01 109.305 171.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -125.76 162.78 24.3 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.119 -0.492 . . . . 72.53 111.768 -169.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.409 HH11 ' CD2' ' A' ' 59' ' ' LEU . 23.8 ttt85 -87.19 139.74 30.26 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.212 0.529 . . . . 63.33 111.35 175.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 9' ' ' ARG . 95.8 mt -87.05 91.02 8.56 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.218 0.532 . . . . 50.41 110.171 174.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.9 m -63.32 -41.39 98.9 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.818 -0.628 . . . . 62.41 112.316 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -105.38 103.11 12.58 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.936 0.398 . . . . 52.21 110.999 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.2 mt -80.47 141.93 34.74 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.388 0.613 . . . . 75.25 112.143 -177.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -85.24 8.9 16.76 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.723 -0.671 . . . . 73.43 111.301 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -81.35 106.23 13.16 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.08 0.467 . . . . 62.31 111.893 -172.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -148.98 140.34 23.25 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.052 -0.522 . . . . 71.25 110.972 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -75.68 162.53 28.15 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 122.136 -0.353 . . . . 72.43 110.668 176.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.468 ' CG ' ' H ' ' A' ' 87' ' ' HIS . 7.1 t-80 -96.31 -155.53 0.48 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 109.919 -0.4 . . . . 74.43 109.919 176.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.468 ' H ' ' CG ' ' A' ' 86' ' ' HIS . 5.0 t60 -47.4 -30.25 3.17 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.307 0.484 . . . . 70.25 112.307 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 18.2 p80 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.409 -0.805 . . . . 74.33 111.039 170.646 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.893 0.378 . . . . 75.52 111.099 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t -109.48 29.83 7.2 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.761 0.791 . . . . 61.03 109.566 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -156.93 176.35 12.87 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.029 -0.987 . . . . 70.42 111.216 -168.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -162.05 157.28 23.25 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.137 0.494 . . . . 72.33 111.358 170.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -81.08 104.12 11.35 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.995 -0.548 . . . . 72.3 110.522 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.596 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -95.48 130.24 42.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.101 -0.5 . . . . 64.45 112.054 -175.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.11 134.68 11.93 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-N 116.144 -0.48 . . . . 63.05 113.098 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.14 150.8 28.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 122.671 0.388 . . . . 72.5 110.664 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.487 ' HB2' HD21 ' B' ' 78' ' ' LEU . 74.6 ttt180 -123.9 127.12 47.53 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.941 -0.474 . . . . 53.33 111.065 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.438 HD12 HD11 ' B' ' 26' ' ' ILE . 34.5 mt -113.46 117.92 56.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.1 -0.5 . . . . 72.04 111.342 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.603 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 62.3 t -122.48 118.37 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.531 0.681 . . . . 64.24 110.916 174.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' B' ' 72' ' ' VAL . . . -142.86 166.83 26.49 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.52 -0.763 . . . . 62.14 112.25 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.93 122.81 18.2 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.411 0.624 . . . . 75.33 111.338 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -67.29 103.89 1.36 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.037 -0.529 . . . . 55.22 111.441 -177.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' B' ' 15' ' ' LYS . 7.9 mmpt? -103.42 -177.86 3.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.681 0.753 . . . . 75.12 112.145 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -43.49 -43.31 5.33 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.569 -1.196 . . . . 70.14 113.071 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.43 11.06 2.47 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.634 -0.793 . . . . 63.05 114.386 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.547 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 29.7 mmm -57.81 -49.65 75.93 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.584 0.587 . . . . 54.43 112.584 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.7 p -55.74 -36.44 67.27 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.91 0.386 . . . . 73.5 111.757 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.564 ' HA ' HD12 ' A' ' 33' ' ' ILE . 45.4 t-20 -76.43 -48.63 19.04 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.085 0.469 . . . . 75.54 110.873 -178.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.547 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -65.23 -35.91 82.51 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.311 -0.404 . . . . 73.42 111.492 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.493 HG13 ' CZ ' ' B' ' 45' ' ' PHE . 10.5 mm -64.01 -53.16 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.054 0.39 . . . . 61.11 112.054 -178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.407 ' HA ' HD12 ' B' ' 26' ' ' ILE . 14.1 m -67.37 -27.14 66.86 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.255 0.55 . . . . 73.33 109.988 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.76 -51.72 57.31 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 115.877 -0.601 . . . . 41.41 112.049 169.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 21' ' ' GLN . 90.1 t -56.31 -37.43 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.242 0.544 . . . . 72.52 110.952 175.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.438 HD11 HD12 ' B' ' 10' ' ' ILE . 72.8 mt -61.0 -43.3 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 116.004 -0.544 . . . . 73.25 111.474 175.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.8 p -69.83 -26.36 64.2 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.012 0.434 . . . . 42.23 110.647 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.473 ' HD3' ' HA ' ' B' ' 25' ' ' VAL . 56.1 mtpt -69.7 -6.92 34.93 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.26 -0.427 . . . . 72.21 111.834 176.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -66.94 174.35 3.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.792 0.806 . . . . 72.4 112.278 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.73 15.42 29.38 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.307 -0.86 . . . . 54.13 111.462 -176.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 t -128.86 165.81 20.3 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 120.992 0.425 . . . . 64.21 111.98 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASN . . . . . 0.43 ' O ' HG22 ' B' ' 51' ' ' ILE . 27.3 t-20 -91.29 129.29 37.3 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.151 0.5 . . . . 53.2 112.047 -177.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.464 ' HA ' HG22 ' B' ' 51' ' ' ILE . 61.5 mt -76.26 101.07 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.145 -0.48 . . . . 53.14 111.328 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -74.22 -33.65 63.44 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.225 0.536 . . . . 74.34 110.55 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 18.6 m -157.47 149.85 22.77 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.7 -0.682 . . . . 65.1 110.606 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.545 HG22 ' HB3' ' A' ' 38' ' ' LEU . 18.0 tt -159.81 135.02 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 120.968 0.413 . . . . 70.04 111.405 173.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.574 HG13 HG22 ' A' ' 37' ' ' VAL . 59.3 t -134.91 105.19 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-O 120.767 0.317 . . . . 44.02 111.555 -178.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 35' ' ' THR . 9.2 tt -108.86 128.5 54.96 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.396 -0.19 . . . . 73.41 110.734 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -135.87 123.86 22.82 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.082 0.467 . . . . 73.3 111.062 170.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -96.24 119.27 34.43 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.07 0.462 . . . . 74.14 110.737 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.79 145.23 29.85 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.097 -0.501 . . . . 75.11 111.001 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 t70 63.56 19.14 11.55 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 112.673 0.62 . . . . 72.31 112.673 175.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.62 1.97 63.56 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 121.05 -0.595 . . . . 72.41 113.258 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -127.81 169.87 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.715 -0.476 . . . . 73.23 109.715 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.539 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 34.8 p90 -133.84 148.48 51.3 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.954 -0.466 . . . . 74.35 110.898 172.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.8 t -126.17 112.05 15.34 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.944 0.402 . . . . 52.43 110.82 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 51.9 t -108.1 112.43 24.96 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.301 -0.409 . . . . 75.02 111.418 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 3.3 m-20 -93.63 110.74 22.33 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.389 -0.369 . . . . 70.24 110.951 177.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.401 HD13 HG21 ' B' ' 26' ' ' ILE . 53.9 tp -98.58 137.4 37.29 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.954 0.407 . . . . 74.04 111.848 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.549 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 72.4 mmm -127.66 109.97 12.2 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.969 0.414 . . . . 63.43 111.253 176.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.7 pp -138.53 166.53 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 116.304 -0.407 . . . . 55.14 111.408 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -97.15 137.48 36.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.971 0.415 . . . . 72.51 111.828 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.8 m -128.66 153.97 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 116.169 -0.469 . . . . 71.2 111.025 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -88.29 -19.87 26.18 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.333 0.494 . . . . 71.12 112.333 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -156.25 172.23 18.84 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 120.991 0.424 . . . . 74.42 111.835 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 74.3 p -68.86 -34.48 75.53 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.723 0.638 . . . . 70.34 112.723 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.33 -36.8 85.13 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.442 0.639 . . . . 74.53 109.973 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -57.44 -42.94 83.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.229 -0.896 . . . . 73.14 110.722 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.596 HD13 ' HB1' ' B' ' 6' ' ' ALA . 29.0 tp -67.04 -47.55 71.05 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.92 -0.582 . . . . 73.21 111.503 177.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 64.6 p -65.78 -28.25 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.927 0.343 . . . . 75.34 111.927 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 98.2 m -66.31 -40.83 90.23 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.885 0.374 . . . . 45.43 111.094 177.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.92 -35.05 74.07 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.379 -0.373 . . . . 62.43 111.185 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 59.0 mtt -58.69 -51.61 69.23 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.28 -0.418 . . . . 72.2 110.812 176.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.01 -44.09 82.45 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.167 -0.47 . . . . 52.43 111.192 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -56.91 -42.35 79.78 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.227 -0.442 . . . . 71.01 111.666 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 60.2 mt -72.7 -38.0 67.67 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.143 0.497 . . . . 72.43 111.562 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.46 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 99.8 mtt180 -65.66 -6.72 12.18 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.422 0.527 . . . . 62.42 112.422 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -71.01 -20.3 62.42 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.118 -0.364 . . . . 72.22 111.307 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -84.43 108.12 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.57 0.7 . . . . 71.32 110.916 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLN . . . . . 0.406 ' CD ' ' H ' ' B' ' 70' ' ' GLN . 4.7 pm0 -47.12 -30.61 2.9 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.816 -1.084 . . . . 72.31 112.81 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.48 -27.47 72.57 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 121.23 -0.509 . . . . 65.21 113.887 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.451 ' HA ' ' HA3' ' B' ' 12' ' ' GLY . 57.2 t -88.96 143.45 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 122.328 -0.513 . . . . 74.1 111.24 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.57 -19.2 6.41 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.566 0.58 . . . . 73.34 112.566 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.603 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.7 p -127.23 120.34 28.48 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.073 0.463 . . . . 55.4 112.001 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.46 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 40.6 t -128.59 103.34 9.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.06 -0.719 . . . . 53.14 109.06 169.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -123.67 162.55 22.85 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.38 0.61 . . . . 64.52 112.64 -168.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.481 ' HG3' HD21 ' B' ' 59' ' ' LEU . 9.7 ttm180 -92.01 123.4 35.34 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.812 -0.631 . . . . 75.32 110.968 176.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' B' ' 9' ' ' ARG . 95.8 mt -69.61 -53.98 16.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.657 0.265 . . . . 70.23 111.18 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 38.9 t 66.56 -66.41 0.18 Allowed 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.669 0.618 . . . . 63.14 112.669 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -71.95 112.02 7.7 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.874 0.368 . . . . 63.11 110.609 177.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.8 mt -117.72 158.55 24.52 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.451 0.643 . . . . 62.11 111.619 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -90.9 -16.13 28.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.413 -0.812 . . . . 73.03 111.278 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -51.31 -65.39 0.56 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.829 -0.623 . . . . 74.21 112.099 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -138.55 100.88 4.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.028 0.442 . . . . 65.24 110.733 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -91.25 39.14 0.99 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.594 0.711 . . . . 63.32 110.223 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -110.97 139.96 45.88 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.726 -0.67 . . . . 74.02 111.991 -173.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -134.8 127.85 31.64 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.698 174.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.893 -0.575 . . . . 65.11 111.502 179.561 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 120.561 0.22 . . . . 31.11 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.1 m -125.95 120.25 29.88 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 122.279 -0.263 . . . . 52.05 110.374 173.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -64.98 142.58 58.39 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.068 0.461 . . . . 70.31 111.563 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -133.08 155.64 48.87 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.976 0.417 . . . . 73.23 110.655 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.0 tp -81.41 102.93 10.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.345 0.593 . . . . 74.21 110.81 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.424 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -93.89 145.53 24.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.718 -0.674 . . . . 70.22 111.997 -176.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -117.79 144.23 18.11 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.118 -0.563 . . . . 64.42 113.541 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.1 mt -130.99 130.7 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.631 0.373 . . . . 75.03 110.856 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -105.3 124.64 49.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.822 0.344 . . . . 72.22 111.339 177.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.738 HD11 HD13 ' A' ' 66' ' ' LEU . 47.9 mt -117.68 117.6 55.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.179 -0.464 . . . . 75.04 110.966 178.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.63 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 66.3 t -118.46 118.49 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 121.651 0.739 . . . . 62.21 111.381 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.92 170.87 25.1 Favored Glycine 0 CA--C 1.522 0.511 0 CA-C-N 115.339 -0.846 . . . . 71.11 111.904 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.97 142.69 49.4 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.22 0.533 . . . . 61.15 112.393 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.29 83.78 0.77 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.137 0.494 . . . . 62.31 111.366 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HB2' ' CG ' ' A' ' 18' ' ' MET . 34.6 mttp -101.36 154.82 18.46 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.319 0.581 . . . . 64.12 112.474 170.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -41.84 -39.03 1.66 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.326 1.232 . . . . 70.35 114.326 -176.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.46 2.08 15.97 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 120.789 -0.72 . . . . 64.44 113.932 -176.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.516 ' SD ' ' HA3' ' A' ' 71' ' ' GLY . 37.2 mmm -69.24 -51.47 37.3 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.803 0.668 . . . . 71.13 112.803 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.7 p -62.54 -31.66 72.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.955 0.407 . . . . 72.33 111.598 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -76.14 -48.07 21.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.87 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.9 pt20 -63.78 -38.3 90.59 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.493 -0.321 . . . . 73.44 111.53 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.436 HD11 ' CG2' ' A' ' 72' ' ' VAL . 11.2 mm -59.0 -53.96 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.854 0.359 . . . . 70.01 111.938 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -72.43 -27.18 62.17 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.307 0.575 . . . . 72.22 110.453 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.9 -46.55 93.92 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 121.194 -0.527 . . . . 73.45 112.151 172.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.552 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 84.4 t -62.71 -41.29 91.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.907 0.384 . . . . 75.31 110.776 175.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.433 HG21 HD13 ' A' ' 49' ' ' LEU . 72.6 mt -55.71 -44.88 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 116.165 -0.471 . . . . 71.04 111.76 175.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.5 p -65.92 -21.28 66.43 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.156 -0.34 . . . . 75.15 111.344 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 25' ' ' VAL . 53.5 mtmt -81.32 4.22 21.39 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.199 0.444 . . . . 74.51 112.199 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -79.49 167.84 20.24 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.626 0.726 . . . . 64.51 111.98 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -84.43 -21.45 30.73 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.531 -0.759 . . . . 64.4 111.795 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.2 t -87.35 158.13 19.1 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.18 0.514 . . . . 60.01 112.238 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -87.23 125.9 34.48 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.299 -0.41 . . . . 74.24 111.591 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' B' ' 20' ' ' ASN . 69.4 mt -69.39 104.04 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 116.385 -0.37 . . . . 73.35 110.971 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -83.99 -33.18 24.62 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.146 0.498 . . . . 64.34 110.647 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 61.4 m -155.1 132.3 10.99 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.996 -0.547 . . . . 53.44 110.908 175.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.67 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.6 tp -135.74 128.15 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.072 0.463 . . . . 74.23 110.373 174.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 62.8 t -126.16 142.56 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.535 -0.302 . . . . 71.51 110.533 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.634 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.2 tt -145.56 136.65 24.74 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.936 -0.394 . . . . 74.22 109.936 175.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 45' ' ' PHE . 8.7 p30 -151.02 128.77 11.58 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.777 0.323 . . . . 63.33 110.858 173.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -102.6 106.14 16.77 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.12 0.486 . . . . 52.13 111.484 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.694 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -121.92 145.37 48.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.703 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 63.05 7.78 2.9 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.545 0.572 . . . . 64.52 112.545 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.34 -1.14 46.65 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 121.315 -0.469 . . . . 55.24 113.329 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.0 mt -126.11 150.47 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 122.61 -0.347 . . . . 55.24 110.783 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.553 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 37.5 p90 -116.42 146.8 42.24 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.199 0.523 . . . . 64.22 111.792 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -121.58 106.76 11.66 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.951 -0.568 . . . . 70.5 110.938 174.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.67 ' SG ' HD11 ' A' ' 36' ' ' ILE . 49.7 t -95.07 123.03 38.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.294 -0.412 . . . . 73.44 111.568 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -103.73 108.65 20.03 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.53 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.459 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 40.8 tp -98.08 131.33 44.57 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.838 0.351 . . . . 65.52 111.863 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.568 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 63.8 mmm -127.89 112.5 14.78 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.395 -0.366 . . . . 73.43 111.318 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.437 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.6 pp -143.11 162.12 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 116.303 -0.408 . . . . 73.02 111.719 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -92.08 137.83 32.04 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.86 0.362 . . . . 65.11 111.968 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 m -132.55 152.04 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.812 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.472 ' H ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.5 -17.73 35.57 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.22 0.452 . . . . 73.51 112.22 179.049 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -154.25 167.82 28.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.778 0.323 . . . . 73.21 111.27 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -73.72 -31.33 63.32 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.841 0.682 . . . . 74.43 112.841 -175.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.21 -33.86 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.494 0.664 . . . . 75.42 110.625 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -57.16 -36.58 70.92 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.467 -0.788 . . . . 72.54 110.837 173.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.503 ' HG ' ' HE3' ' A' ' 63' ' ' MET . 61.3 tp -71.64 -47.68 52.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.998 -0.546 . . . . 63.25 111.684 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.4 p -62.92 -30.1 71.29 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.889 0.376 . . . . 63.13 111.73 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 100.0 m -61.62 -41.71 97.86 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.035 0.445 . . . . 74.23 111.462 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.38 -39.85 94.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.952 0.406 . . . . 64.15 111.577 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.505 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 58.2 mtt -52.18 -49.75 63.23 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.147 -0.479 . . . . 42.24 111.454 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.75 -42.47 93.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.254 -0.43 . . . . 64.34 110.818 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -58.55 -35.65 72.67 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.043 0.449 . . . . 73.32 111.446 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.738 HD13 HD11 ' A' ' 10' ' ' ILE . 64.1 mt -79.92 -26.7 40.04 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.972 -0.558 . . . . 52.23 111.778 179.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 63' ' ' MET . 1.0 OUTLIER -72.61 -7.4 50.05 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.207 0.447 . . . . 74.43 112.207 179.003 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -72.53 -6.98 47.66 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 111.793 0.294 . . . . 71.25 111.793 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.409 HG21 HD13 ' A' ' 22' ' ' ILE . 92.8 t -89.7 117.48 33.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-O 121.104 0.478 . . . . 52.34 111.519 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -54.72 -33.73 61.48 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.057 0.762 . . . . 64.35 113.057 -177.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.516 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -76.66 -12.71 84.21 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 121.092 -0.575 . . . . 51.13 114.292 -175.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.436 ' CG2' HD11 ' A' ' 22' ' ' ILE . 50.4 t -91.46 149.0 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 117.551 0.675 . . . . 72.43 111.748 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.38 -14.06 4.29 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.371 0.508 . . . . 70.45 112.371 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.63 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.1 p -131.98 125.2 30.99 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.01 0.433 . . . . 62.42 111.531 175.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.2 t -139.62 105.14 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 109.658 -0.497 . . . . 65.04 109.658 173.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -141.42 178.1 7.66 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.136 0.421 . . . . 62.42 112.136 -174.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -90.31 152.77 20.88 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.741 0.645 . . . . 75.51 112.741 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.7 mt -109.54 105.17 14.38 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.489 -0.778 . . . . 75.52 110.45 172.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.8 t -92.82 -20.58 20.57 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.758 0.314 . . . . 53.5 111.784 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -98.96 98.95 9.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.301 0.572 . . . . 73.31 111.187 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.5 mt -104.32 155.16 19.0 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.8 0.667 . . . . 74.2 112.8 -174.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -114.31 43.28 1.91 Allowed 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.562 -0.745 . . . . 52.05 110.865 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -111.08 -28.16 8.43 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.434 0.901 . . . . 75.05 113.434 -172.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 86' ' ' HIS . 98.5 m-70 -65.52 -49.0 70.57 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.534 0.568 . . . . 74.42 112.534 -174.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 48.38 -71.12 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 113.765 1.024 . . . . 73.23 113.765 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 84' ' ' HIS . 48.7 t-80 -79.36 94.18 5.47 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.598 -0.689 . . . . 72.44 111.463 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 -104.65 -16.81 14.88 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.162 -0.472 . . . . 62.13 110.764 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.741 -0.647 . . . . 74.3 110.915 176.948 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 120.505 0.193 . . . . 53.43 111.169 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.7 t -67.86 -13.01 61.8 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.132 0.491 . . . . 60.24 110.903 172.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.85 144.71 54.47 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.625 -0.716 . . . . 63.13 110.716 174.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -137.62 158.82 43.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.246 0.546 . . . . 74.11 111.562 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.501 ' O ' HD11 ' B' ' 81' ' ' LEU . 56.4 tp -78.66 104.79 9.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 72.03 110.528 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.517 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -93.52 127.61 39.26 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.893 0.378 . . . . 74.21 111.524 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.0 147.78 17.48 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.326 -0.464 . . . . 74.25 112.591 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.487 HD12 HD23 ' B' ' 49' ' ' LEU . 58.1 mt -133.49 126.72 52.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 117.227 0.514 . . . . 54.1 111.535 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.511 ' HB2' HD21 ' B' ' 78' ' ' LEU . 11.4 tpp85 -97.18 118.79 34.4 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.843 0.354 . . . . 64.25 111.182 175.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.557 HD11 HD13 ' B' ' 66' ' ' LEU . 41.9 mt -117.28 118.08 57.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 116.506 -0.315 . . . . 51.04 111.23 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.603 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 54.8 t -122.23 122.55 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.535 0.683 . . . . 71.33 111.575 175.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.09 171.12 31.44 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.66 -0.7 . . . . 71.41 112.951 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.1 135.89 47.92 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-O 120.945 0.402 . . . . 73.41 111.95 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.95 47.79 0.67 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.079 0.77 . . . . 73.3 113.079 -171.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -80.8 170.09 16.74 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 114.86 1.43 . . . . 73.21 114.86 -171.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -63.68 73.98 0.03 OUTLIER 'General case' 0 C--O 1.235 0.325 0 CA-C-N 113.609 -1.632 . . . . 75.32 112.468 -169.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.36 -14.91 5.58 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.27 -0.877 . . . . 72.31 112.856 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.527 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 33.0 mmm -62.39 -52.41 63.71 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.375 0.509 . . . . 74.51 112.375 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 60.3 p -60.48 -31.05 70.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.038 0.446 . . . . 71.51 111.632 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.44 ' HA ' HD12 ' A' ' 33' ' ' ILE . 15.0 m120 -75.13 -43.62 51.6 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.235 -0.439 . . . . 75.21 111.114 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.503 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -73.66 -34.75 65.08 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.154 -0.475 . . . . 71.53 111.86 -176.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.438 ' O ' HG13 ' B' ' 26' ' ' ILE . 12.6 mm -61.71 -54.32 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.206 0.447 . . . . 75.13 112.206 -176.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -74.12 -27.02 60.67 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.207 0.527 . . . . 64.11 110.254 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.452 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.43 -49.66 76.1 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.974 -0.557 . . . . 44.15 112.541 173.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 21' ' ' GLN . 86.4 t -63.52 -38.49 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 O-C-N 122.328 -0.513 . . . . 73.14 111.231 177.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.453 HG21 HD13 ' B' ' 49' ' ' LEU . 74.4 mt -56.86 -43.84 80.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 112.017 0.377 . . . . 62.45 112.017 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 83.4 p -62.74 -22.0 66.23 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.889 0.376 . . . . 65.34 111.578 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 57.4 mttm -81.09 -0.1 38.44 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 111.999 0.37 . . . . 74.13 111.999 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -73.62 164.4 26.71 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.481 0.658 . . . . 72.11 112.349 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.13 -31.2 68.62 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.424 -0.807 . . . . 71.23 111.165 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.0 t -88.28 168.07 13.02 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.335 -0.848 . . . . 73.02 112.322 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -102.91 128.27 49.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.175 -0.466 . . . . 72.03 111.743 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.433 ' HA ' HG22 ' B' ' 51' ' ' ILE . 62.0 mt -70.55 104.35 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.151 -0.477 . . . . 74.33 111.499 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 32.5 mmm-85 -82.7 -30.84 28.9 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.27 0.557 . . . . 54.21 110.459 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 77.8 m -155.03 147.01 23.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.914 -0.585 . . . . 72.32 110.597 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.634 HG22 ' HB3' ' A' ' 38' ' ' LEU . 18.8 tt -160.26 139.53 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 120.954 0.407 . . . . 72.01 111.314 174.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 95.8 t -137.08 105.28 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 116.533 -0.303 . . . . 75.13 111.34 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.628 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.8 tt -108.87 113.91 27.23 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.825 -0.435 . . . . 71.32 109.825 173.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -132.35 127.78 36.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.021 0.438 . . . . 72.34 111.251 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -94.91 108.07 20.11 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.173 0.511 . . . . 64.34 112.079 -178.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.718 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.1 OUTLIER -114.06 137.92 51.08 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.074 -0.512 . . . . 74.44 110.65 177.213 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 60.15 16.74 6.27 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.22 0.452 . . . . 65.13 112.22 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.74 11.19 64.12 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.576 -0.345 . . . . 73.34 113.478 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mt -129.46 142.18 44.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 122.331 -0.511 . . . . 74.5 110.193 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.557 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 38.4 p90 -108.16 143.28 37.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.924 0.392 . . . . 72.53 111.297 -177.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -119.05 99.26 6.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.333 0.587 . . . . 74.04 110.873 175.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 53.7 t -94.06 107.66 19.56 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.951 -0.568 . . . . 72.05 111.996 -178.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 97.4 m-20 -90.04 112.5 23.96 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.691 -0.231 . . . . 75.25 110.79 174.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.487 HD23 HD12 ' B' ' 8' ' ' ILE . 51.7 tp -98.5 132.08 44.22 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.693 0.282 . . . . 73.22 111.31 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.536 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.3 mmm -124.34 109.72 13.69 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.007 0.432 . . . . 55.34 111.312 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.433 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -141.78 161.01 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 116.101 -0.5 . . . . 73.41 111.792 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -93.81 137.89 32.56 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.242 0.544 . . . . 65.51 112.285 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.2 m -132.61 154.51 40.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.138 -0.483 . . . . 73.33 111.13 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.408 ' HG3' ' OD1' ' B' ' 55' ' ' ASN . 17.2 tppt? -75.36 -45.87 36.65 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.384 -0.371 . . . . 70.32 111.249 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.408 ' OD1' ' HG3' ' B' ' 54' ' ' LYS . 16.7 m120 -134.76 165.2 25.83 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.011 0.434 . . . . 64.52 111.548 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 78.2 p -68.25 -26.45 65.68 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.329 -0.396 . . . . 72.03 111.803 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.04 -38.77 92.29 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.795 0.807 . . . . 72.22 110.422 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -59.52 -38.85 82.05 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.302 -0.863 . . . . 73.34 110.527 172.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.517 HD13 ' HB1' ' B' ' 6' ' ' ALA . 39.2 tp -67.86 -45.66 73.95 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.923 -0.581 . . . . 43.25 111.569 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 72.3 p -62.35 -37.04 84.13 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.881 0.372 . . . . 72.21 111.237 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 67.0 m -57.86 -41.88 83.35 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.314 -0.403 . . . . 70.32 111.188 175.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.0 mt -64.58 -42.38 95.67 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.702 -0.226 . . . . 74.23 111.527 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.453 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 47.6 mtt -52.66 -54.39 34.02 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.34 0.59 . . . . 73.33 110.308 175.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -53.74 -44.68 70.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.105 -0.952 . . . . 74.34 111.254 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 61' ' ' THR . 49.4 mtpt -59.09 -40.17 84.45 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.146 0.498 . . . . 75.32 111.707 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.557 HD13 HD11 ' B' ' 10' ' ' ILE . 51.8 mt -76.14 -26.98 56.83 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.168 0.509 . . . . 74.23 111.583 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' B' ' 63' ' ' MET . 92.3 mtt180 -74.87 -7.55 53.81 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.319 0.489 . . . . 73.5 112.319 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -72.48 -15.56 61.8 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 122.202 -0.311 . . . . 61.1 111.533 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 51.3 t -84.16 123.83 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 121.048 0.452 . . . . 64.34 111.632 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -59.88 -36.32 76.68 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.929 -0.578 . . . . 60.21 112.537 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.527 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -70.24 -17.53 74.17 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 121.098 -0.573 . . . . 70.21 114.208 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.425 HG23 ' HE1' ' B' ' 18' ' ' MET . 60.4 t -92.36 145.53 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 122.154 -0.615 . . . . 73.2 111.268 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.33 -8.99 5.24 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.406 0.521 . . . . 71.12 112.406 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.603 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.0 p -136.02 121.91 19.95 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.891 0.377 . . . . 72.24 111.497 174.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 49.2 t -139.64 103.81 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 110.096 -0.335 . . . . 73.44 110.096 173.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -136.85 164.83 27.38 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.574 -0.284 . . . . 51.35 110.354 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -87.42 152.32 22.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.877 0.846 . . . . 73.14 111.476 176.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' B' ' 9' ' ' ARG . 96.0 mt -94.63 82.03 3.92 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.977 -1.01 . . . . 70.22 109.62 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 32.4 t -56.43 -44.48 80.45 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.211 -0.449 . . . . 75.21 111.81 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -97.88 106.43 18.73 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.256 0.551 . . . . 60.54 110.671 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.501 HD11 ' O ' ' B' ' 5' ' ' LEU . 28.0 mt -78.06 152.78 32.78 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.64 0.978 . . . . 74.04 113.64 -172.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -93.3 31.84 1.43 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 114.461 -1.245 . . . . 73.53 110.677 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -107.55 66.37 0.66 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.441 0.639 . . . . 73.44 111.476 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -150.24 48.11 0.9 Allowed 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.552 -0.749 . . . . 74.41 110.314 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -80.77 5.08 16.86 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 112.503 0.557 . . . . 73.14 112.503 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -105.77 108.69 20.34 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.017 0.437 . . . . 64.11 110.439 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -65.49 164.19 14.45 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.385 0.883 . . . . 72.55 113.385 -173.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 . . . . . 0 C--O 1.25 1.095 0 CA-C-N 115.213 -0.903 . . . . 73.51 111.084 173.876 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.433 ' SD ' ' HG2' ' A' ' 54' ' ' LYS . 25.2 mmt . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 120.807 0.337 . . . . 74.42 111.562 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' ' 54' ' ' LYS . 8.8 m -93.89 33.65 1.3 Allowed 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.882 0.849 . . . . 72.5 109.135 171.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.488 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 8.5 p-10 -64.04 139.2 58.74 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.546 0.943 . . . . 75.03 113.546 -168.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -145.52 154.1 41.83 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.42 -0.809 . . . . 51.43 109.809 173.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 tp -78.72 103.35 8.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.215 0.531 . . . . 74.53 110.96 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.449 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -93.93 153.4 18.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.696 -0.684 . . . . 62.01 111.557 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.503 ' HA3' ' HB2' ' A' ' 78' ' ' LEU . . . -132.05 147.15 18.62 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.139 -0.553 . . . . 75.42 112.964 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.609 HD12 HD23 ' A' ' 49' ' ' LEU . 49.6 mt -127.54 136.83 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-O 120.876 0.369 . . . . 73.53 110.735 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.501 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 20.4 tpt180 -110.22 120.22 41.74 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.484 -0.325 . . . . 71.32 111.216 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.846 HD11 HD13 ' A' ' 66' ' ' LEU . 63.5 mt -123.15 131.44 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 111.83 0.307 . . . . 65.22 111.83 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.5 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 25.3 t -132.85 119.44 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.568 0.699 . . . . 63.45 110.72 169.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.91 161.54 26.31 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.512 -0.767 . . . . 61.43 112.428 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.77 128.87 37.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.288 0.566 . . . . 74.34 111.868 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.95 107.33 4.63 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.917 -0.583 . . . . 64.2 111.749 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -133.64 164.92 26.12 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.718 0.77 . . . . 71.35 112.828 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -43.46 -35.02 1.47 Allowed 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.152 -1.386 . . . . 70.24 114.332 -174.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.79 -5.5 13.78 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 120.654 -0.784 . . . . 74.45 114.049 -176.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.464 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 63.2 mmm -72.13 -52.29 17.38 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.99 0.737 . . . . 75.34 112.99 -174.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.1 p -60.92 -32.58 72.07 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.96 0.409 . . . . 72.14 111.535 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.4 ' HA ' HD12 ' B' ' 33' ' ' ILE . 14.9 m120 -75.79 -45.77 34.34 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.001 0.429 . . . . 70.2 111.013 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.469 ' O ' HG23 ' A' ' 25' ' ' VAL . 9.4 pt20 -70.33 -35.6 73.72 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.502 -0.317 . . . . 54.03 111.847 -176.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.593 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 12.7 mm -60.71 -54.59 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 112.394 0.516 . . . . 73.35 112.394 -177.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -74.1 -27.65 60.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.094 0.473 . . . . 63.03 110.521 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -61.0 -52.13 54.2 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 121.114 -0.565 . . . . 70.53 112.523 174.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 21' ' ' GLN . 97.6 t -58.73 -40.27 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-O 120.816 0.341 . . . . 65.53 111.54 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.475 HG21 HD13 ' A' ' 49' ' ' LEU . 70.9 mt -55.71 -42.83 71.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.14 0.495 . . . . 72.4 111.73 175.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 m -60.27 -22.04 62.64 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.15 -0.477 . . . . 71.25 111.727 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 43.3 mtpt -85.87 -4.93 59.29 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.064 -0.517 . . . . 75.22 112.371 -172.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -67.61 171.72 5.96 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.691 0.758 . . . . 72.11 112.603 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.77 -33.84 60.2 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.408 -0.815 . . . . 73.42 110.762 178.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -82.9 160.78 22.05 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.562 -0.745 . . . . 71.51 112.574 -174.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -95.25 130.22 42.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.889 -0.596 . . . . 74.23 111.273 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.53 ' HA ' HG22 ' A' ' 51' ' ' ILE . 61.3 mt -67.49 111.15 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.573 -177.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.524 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -84.14 -36.53 22.83 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.22 0.533 . . . . 63.12 110.505 178.251 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 87.9 m -158.88 132.44 7.42 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.807 -0.633 . . . . 65.1 110.56 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.609 HG22 ' HB3' ' B' ' 38' ' ' LEU . 10.5 tp -134.17 138.18 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.028 0.442 . . . . 71.33 110.823 177.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 64.7 t -135.67 136.19 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.33 -0.395 . . . . 74.23 110.667 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.662 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.0 tt -144.62 123.45 12.66 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.734 -0.469 . . . . 64.33 109.734 173.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -139.09 138.67 37.29 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.887 0.375 . . . . 54.41 111.47 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -103.34 121.64 43.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.383 0.611 . . . . 31.51 111.297 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -136.27 143.18 44.1 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.507 -0.769 . . . . 74.25 110.54 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 60.77 10.14 2.54 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.044 0.757 . . . . 65.23 113.044 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.31 -9.81 39.07 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 121.426 -0.416 . . . . 60.31 113.524 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.6 mt -119.26 159.88 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 122.634 -0.333 . . . . 61.14 110.157 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.593 ' CZ ' HG13 ' A' ' 22' ' ' ILE . 21.3 p90 -119.01 149.76 41.1 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.964 -0.46 . . . . 74.33 110.791 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -124.0 119.75 30.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.09 0.471 . . . . 64.5 111.1 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 42.4 t -111.3 129.15 56.08 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.124 -0.489 . . . . 35.02 112.062 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.438 ' O ' HD12 ' A' ' 36' ' ' ILE . 90.1 m-20 -108.67 114.83 28.96 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.373 -0.376 . . . . 74.02 110.524 175.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 8' ' ' ILE . 38.6 tp -99.56 119.72 38.51 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.769 0.319 . . . . 60.4 111.858 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.513 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 68.1 mmm -115.78 111.99 21.33 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.896 0.379 . . . . 64.24 111.068 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.53 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -142.47 159.54 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.981 0.42 . . . . 71.43 111.827 -177.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -94.6 133.64 38.03 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.046 0.45 . . . . 73.41 111.916 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 3.1 m -133.13 154.15 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 116.45 -0.341 . . . . 65.12 110.558 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.488 ' O ' ' HB ' ' A' ' 2' ' ' THR . 0.0 OUTLIER -86.14 -33.68 20.79 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.893 0.377 . . . . 72.22 111.285 178.26 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -132.61 145.82 51.4 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.51 -0.313 . . . . 72.25 110.947 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.7 p -63.14 -25.95 68.59 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.904 0.383 . . . . 54.11 111.643 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.81 -36.45 81.16 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.727 0.775 . . . . 53.02 110.242 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -62.22 -46.4 89.04 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.114 -0.948 . . . . 72.54 111.007 174.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.449 HD22 ' HB1' ' A' ' 6' ' ' ALA . 65.2 tp -62.87 -47.5 83.09 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.109 -0.496 . . . . 72.24 111.868 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.4 p -61.56 -30.17 70.49 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.761 0.315 . . . . 74.34 111.658 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.9 m -65.91 -43.87 86.88 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.314 -0.403 . . . . 71.44 111.63 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.79 -34.51 71.55 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.799 0.333 . . . . 64.42 111.481 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' A' ' 77' ' ' ARG . 62.2 mtt -54.93 -52.11 63.98 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.104 0.478 . . . . 74.15 110.997 175.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.46 -43.85 84.32 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.82 -0.627 . . . . 45.25 110.739 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -58.4 -47.22 84.6 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.109 -0.496 . . . . 63.41 111.899 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.846 HD13 HD11 ' A' ' 10' ' ' ILE . 81.4 mt -73.66 -26.54 60.8 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.178 0.513 . . . . 54.11 111.927 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -73.47 -8.38 55.65 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 116.379 -0.373 . . . . 74.53 111.925 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -79.09 -5.37 53.9 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 111.982 0.364 . . . . 74.0 111.982 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.509 HG11 HD11 ' A' ' 22' ' ' ILE . 89.1 t -76.4 134.7 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.693 0.759 . . . . 72.32 112.145 -175.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -49.11 -48.73 44.24 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.605 -1.18 . . . . 74.13 113.941 -176.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.89 4.61 63.27 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.775 -0.726 . . . . 41.53 114.794 -170.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.1 t -93.37 131.04 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-N 117.954 0.877 . . . . 62.32 111.562 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -120.81 -2.47 9.81 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.371 0.508 . . . . 74.14 112.371 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.5 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 29.9 p -138.83 122.12 17.05 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.746 0.308 . . . . 75.05 111.516 177.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.75 105.28 6.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 120.821 0.343 . . . . 74.41 110.355 174.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.501 ' HB2' ' HB3' ' A' ' 9' ' ' ARG . 40.7 mt-10 -122.92 177.7 5.38 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.284 0.564 . . . . 73.41 112.203 -174.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.465 ' HB2' ' CE ' ' A' ' 63' ' ' MET . 10.5 ttp180 -104.21 127.66 51.86 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.772 -0.649 . . . . 65.23 111.144 172.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.503 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . 95.9 mt -76.12 91.0 3.1 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.042 0.449 . . . . 75.11 110.189 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.7 t -78.47 -52.63 8.25 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.145 0.498 . . . . 71.41 111.045 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -86.93 101.71 13.66 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.311 0.577 . . . . 50.1 110.996 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.5 mt -92.65 166.41 12.49 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.3 0.571 . . . . 71.44 112.279 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.59 18.84 17.29 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.865 -0.607 . . . . 72.31 111.538 174.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -80.33 76.29 7.13 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.063 0.459 . . . . 62.23 111.288 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -108.29 124.51 50.44 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.28 -0.418 . . . . 73.4 111.309 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -73.23 77.72 1.3 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.284 0.564 . . . . 65.31 110.544 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.479 ' O ' ' HB3' ' A' ' 87' ' ' HIS . 13.9 t-80 -75.86 143.33 41.84 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.419 -0.586 . . . . 72.35 109.419 177.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 86' ' ' HIS . 33.4 t-80 67.65 88.83 0.11 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.309 0.576 . . . . 55.45 110.312 -172.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 30.1 p80 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.756 -0.64 . . . . 71.04 111.96 -175.363 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 120.706 0.289 . . . . 74.44 111.56 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 35.8 m -84.67 130.72 34.67 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.261 0.467 . . . . 74.13 112.261 -176.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -130.96 154.54 48.03 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.069 -0.514 . . . . 70.01 109.846 171.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -132.06 157.15 44.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.246 0.546 . . . . 64.43 111.308 -176.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.7 tp -80.73 103.46 10.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.635 . . . . 63.05 110.838 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.466 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -97.69 140.53 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.716 -0.675 . . . . 62.42 111.703 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.56 146.37 18.72 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 121.205 -0.521 . . . . 72.35 112.951 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 20.9 mt -136.08 125.84 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 122.653 -0.322 . . . . 65.11 110.603 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.49 ' HB2' HD21 ' B' ' 78' ' ' LEU . 33.0 ttp-105 -103.56 123.01 46.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.935 0.398 . . . . 74.23 111.144 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.599 HD11 HD13 ' B' ' 66' ' ' LEU . 41.7 mt -108.86 116.92 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.065 -0.516 . . . . 70.11 110.698 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.596 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 76.0 t -114.63 114.62 47.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-O 121.408 0.623 . . . . 31.41 111.049 177.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.2 166.76 25.95 Favored Glycine 0 CA--C 1.523 0.583 0 CA-C-N 115.769 -0.65 . . . . 64.43 112.97 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.458 ' HG3' ' HD3' ' B' ' 15' ' ' LYS . 7.8 pt-20 -60.93 117.97 6.12 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 121.226 0.536 . . . . 74.31 112.226 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.56 101.8 0.37 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.16 -0.473 . . . . 71.24 111.126 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.458 ' HD3' ' HG3' ' B' ' 13' ' ' GLU . 49.2 mtpt -138.53 168.65 19.31 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.911 1.078 . . . . 72.52 113.911 -173.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -51.69 -31.01 24.22 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.068 -1.424 . . . . 65.21 114.24 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.26 -16.6 5.16 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.657 -0.782 . . . . 42.42 113.845 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.559 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 61.6 mmm -65.07 -51.8 59.36 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.377 0.88 . . . . 70.32 113.377 -173.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 64.3 p -60.55 -31.9 70.99 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.8 0.333 . . . . 73.41 111.595 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -76.51 -48.17 20.35 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.168 0.509 . . . . 55.04 111.127 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.525 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.1 pt20 -66.33 -39.97 89.6 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.118 -0.492 . . . . 75.31 111.622 -176.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.446 HG13 ' HZ ' ' B' ' 45' ' ' PHE . 9.9 mm -60.19 -54.47 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 112.501 0.556 . . . . 74.45 112.501 -176.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 13.3 m -74.15 -26.95 60.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.171 0.51 . . . . 74.42 110.624 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.94 -43.59 97.96 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.991 -0.623 . . . . 52.23 112.202 171.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.583 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 77.2 t -60.91 -39.16 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 122.748 -0.266 . . . . 63.3 111.139 175.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.729 HD12 HD22 ' B' ' 49' ' ' LEU . 51.3 mm -52.36 -48.46 44.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-O 121.035 0.445 . . . . 73.14 111.792 176.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 60.7 p -62.87 -22.45 66.71 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.052 0.39 . . . . 75.14 112.052 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.583 ' HE3' ' HA ' ' B' ' 25' ' ' VAL . 10.0 mtmp? -78.7 -6.72 56.54 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.267 0.469 . . . . 71.2 112.267 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -67.63 162.48 23.48 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.741 0.782 . . . . 74.35 112.403 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -80.49 -21.89 41.51 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.325 -0.852 . . . . 55.42 111.671 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.4 t -86.24 155.99 20.47 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.162 0.506 . . . . 70.42 111.95 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASN . . . . . 0.407 ' O ' HG22 ' B' ' 51' ' ' ILE . 26.9 t-20 -90.54 129.49 36.69 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.106 0.479 . . . . 75.35 111.619 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.445 ' HA ' HG22 ' B' ' 51' ' ' ILE . 65.5 mt -66.72 120.43 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 115.989 -0.55 . . . . 64.23 111.426 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -97.06 -39.02 9.53 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.315 0.579 . . . . 70.23 110.512 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 55.3 m -152.24 132.06 13.26 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.735 -0.666 . . . . 72.12 110.799 174.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.677 HD11 ' SG ' ' B' ' 47' ' ' CYS . 9.8 tp -133.81 132.92 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 120.859 0.361 . . . . 50.42 110.462 174.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 57.8 t -134.87 143.93 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.743 0.306 . . . . 72.51 110.656 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' A' ' 36' ' ' ILE . 7.9 tt -144.32 115.71 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.081 -0.387 . . . . 72.32 110.048 175.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -130.76 134.75 47.15 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.891 0.377 . . . . 74.15 110.959 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -99.78 112.6 24.84 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.425 0.631 . . . . 63.23 111.637 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -125.02 144.35 50.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.525 -0.762 . . . . 73.21 110.339 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 61.42 15.97 7.08 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.134 0.42 . . . . 72.2 112.134 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.95 5.92 67.64 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 121.407 -0.425 . . . . 54.24 113.23 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.8 mt -128.85 151.15 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 122.725 0.41 . . . . 64.42 110.227 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.54 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 37.4 p90 -113.15 143.62 44.05 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.857 -0.527 . . . . 65.1 111.539 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 1.8 t -118.28 106.3 12.64 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.01 -0.541 . . . . 72.44 111.197 176.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.677 ' SG ' HD11 ' B' ' 36' ' ' ILE . 42.2 t -91.33 114.27 26.75 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.105 -0.498 . . . . 63.23 111.076 177.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -100.8 109.92 21.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.697 0.399 . . . . 74.13 111.066 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.729 HD22 HD12 ' B' ' 26' ' ' ILE . 52.4 tp -98.41 130.87 45.04 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.957 0.408 . . . . 73.41 111.711 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.486 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.3 mmm -123.28 111.02 15.93 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.224 -0.443 . . . . 74.32 110.72 176.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.445 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.5 pp -143.24 162.1 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 116.337 -0.392 . . . . 75.13 111.677 -177.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -91.33 132.92 35.85 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.948 0.404 . . . . 74.15 111.661 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 19.9 m -122.04 144.22 32.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.144 -0.48 . . . . 72.21 111.023 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.461 ' HG3' HD22 ' B' ' 55' ' ' ASN . 17.4 ptmt -79.35 -14.17 59.15 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.41 0.522 . . . . 74.34 112.41 -178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.461 HD22 ' HG3' ' B' ' 54' ' ' LYS . 10.9 p30 -163.77 172.1 14.6 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.823 0.344 . . . . 71.45 111.392 174.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -72.03 -33.85 68.34 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.86 0.689 . . . . 63.21 112.86 -176.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.54 -35.43 80.21 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.535 0.683 . . . . 71.31 110.298 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -57.8 -43.71 85.85 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.349 -0.842 . . . . 72.11 110.757 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.466 HD13 ' HB1' ' B' ' 6' ' ' ALA . 33.9 tp -63.5 -46.6 85.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.85 -0.613 . . . . 70.21 111.666 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 34.3 p -65.56 -29.95 70.63 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 111.99 0.367 . . . . 72.43 111.99 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 50.5 m -62.82 -41.22 99.22 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.808 0.337 . . . . 63.3 111.788 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.07 -35.21 76.36 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.774 0.287 . . . . 61.35 111.774 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.563 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 66.0 mtt -53.84 -53.93 45.61 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.477 -0.329 . . . . 64.23 110.986 177.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -52.98 -46.17 68.17 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.073 -0.512 . . . . 72.23 111.453 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -58.48 -35.34 72.05 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.831 -0.622 . . . . 72.34 111.168 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.599 HD13 HD11 ' B' ' 10' ' ' ILE . 70.1 mt -80.64 -29.1 36.76 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.067 0.46 . . . . 70.44 111.639 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' B' ' 63' ' ' MET . 47.3 mtp180 -73.47 -6.63 47.64 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.442 -0.344 . . . . 74.4 111.586 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.33 -15.07 62.83 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.972 0.36 . . . . 61.44 111.972 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.0 113.38 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 120.784 0.326 . . . . 73.33 111.501 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -57.96 -28.7 64.59 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.34 0.496 . . . . 63.55 112.34 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.559 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -64.48 -20.23 65.45 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 120.976 -0.63 . . . . 72.43 113.344 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.9 t -93.49 141.71 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 O-C-N 122.47 -0.429 . . . . 73.21 110.945 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.84 -23.71 6.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.469 -0.332 . . . . 75.3 111.836 176.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.596 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.0 OUTLIER -123.52 127.26 48.1 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.234 0.54 . . . . 73.11 111.578 176.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.457 HG21 ' HG2' ' B' ' 67' ' ' ARG . 51.9 t -132.69 104.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.164 -0.68 . . . . 63.44 109.164 171.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -128.77 154.54 46.28 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.141 0.496 . . . . 64.14 112.163 -170.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -83.99 133.5 34.68 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.092 -0.504 . . . . 72.24 112.137 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' B' ' 9' ' ' ARG . 87.5 mt -89.7 94.43 9.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.221 0.534 . . . . 74.33 110.004 170.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 60.1 p -79.4 -59.97 2.55 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.96 -0.564 . . . . 40.22 111.358 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -74.63 105.13 5.58 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.938 -0.574 . . . . 65.22 111.187 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.4 mt -106.85 159.72 16.04 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.101 0.477 . . . . 63.34 111.481 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -115.71 26.27 10.14 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.063 0.394 . . . . 42.12 112.063 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -79.11 37.18 0.31 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 120.915 0.388 . . . . 73.11 111.198 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -85.69 126.05 33.65 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.714 0.635 . . . . 75.44 112.714 -174.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -106.16 -5.0 19.65 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.034 0.445 . . . . 72.4 110.589 170.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -123.13 151.72 41.83 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.011 -0.54 . . . . 73.43 110.765 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -157.68 151.06 23.57 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.511 -0.313 . . . . 72.22 110.898 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 23.7 p80 . . . . . 0 C--O 1.254 1.291 0 CA-C-O 119.69 -0.195 . . . . 61.32 111.364 173.852 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 120.77 0.319 . . . . 72.1 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.3 m -95.83 126.42 41.07 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.182 0.438 . . . . 72.1 112.182 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.531 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 5.3 m-20 -88.9 150.84 22.67 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.185 -0.461 . . . . 45.13 111.428 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -129.06 154.1 46.99 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.815 -0.439 . . . . 64.32 109.815 172.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.4 tp -77.73 103.98 7.99 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.199 0.523 . . . . 71.32 111.299 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.489 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -97.86 134.45 40.99 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.016 -0.538 . . . . 61.12 111.671 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.83 141.35 15.88 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.046 -0.597 . . . . 72.55 113.387 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 40.6 mt -128.88 136.85 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 122.622 0.369 . . . . 63.32 110.367 177.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.464 ' NH2' HD21 ' A' ' 48' ' ' ASN . 18.5 ttm180 -118.15 125.0 49.36 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.1 0.476 . . . . 72.21 111.489 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.662 HD11 HD13 ' A' ' 66' ' ' LEU . 25.9 mt -112.87 116.83 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 115.668 -0.696 . . . . 72.52 110.674 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.557 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 95.2 t -115.79 113.59 43.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.547 0.689 . . . . 63.1 110.948 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.19 175.25 21.27 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.468 -0.787 . . . . 75.44 112.639 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.64 133.37 40.87 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.409 0.623 . . . . 70.23 112.124 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -70.92 86.45 0.71 Allowed 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.294 0.568 . . . . 75.2 111.953 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' HB2' ' CG ' ' A' ' 18' ' ' MET . 43.0 mttp -102.09 158.54 16.09 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.508 0.67 . . . . 63.44 112.511 168.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -49.85 -31.32 11.67 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.657 -1.156 . . . . 71.43 113.599 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.67 0.2 17.94 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 120.601 -0.809 . . . . 35.13 114.399 -178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.449 ' CG ' ' HB2' ' A' ' 15' ' ' LYS . 53.5 mmm -74.29 -51.8 14.17 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 117.516 0.658 . . . . 63.01 112.53 -176.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -60.47 -31.26 70.28 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.266 0.555 . . . . 52.5 111.323 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.511 ' ND2' HG13 ' B' ' 33' ' ' ILE . 12.5 m120 -75.16 -48.3 24.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.652 -0.704 . . . . 74.34 110.948 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.1 pt20 -66.34 -37.42 85.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.174 -0.466 . . . . 71.45 111.474 -177.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 22' ' ' ILE . 12.1 mm -62.68 -54.89 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 112.234 0.457 . . . . 61.22 112.234 -177.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 m -72.97 -26.59 61.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.275 0.56 . . . . 71.2 110.193 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.532 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.03 -51.71 57.67 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 121.029 -0.605 . . . . 54.33 112.369 171.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 21' ' ' GLN . 87.4 t -59.66 -40.14 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-O 120.843 0.354 . . . . 74.33 111.174 175.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mt -54.0 -48.73 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 116.165 -0.471 . . . . 74.35 111.798 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.4 p -64.86 -22.02 66.91 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.607 0.241 . . . . 53.11 111.603 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 67.5 mttm -75.05 -5.59 44.89 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.16 0.43 . . . . 72.14 112.16 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -69.37 168.38 14.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.619 0.723 . . . . 73.25 112.338 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.34 -24.71 31.97 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.276 -0.875 . . . . 62.45 111.854 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 t -86.34 159.05 19.51 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.64 0.607 . . . . 72.24 112.64 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -91.06 124.2 35.11 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.924 -0.58 . . . . 62.4 111.804 -174.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.481 ' HA ' HG22 ' A' ' 51' ' ' ILE . 61.5 mt -76.43 110.67 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 116.455 -0.339 . . . . 61.24 111.747 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 21.8 mmt85 -94.14 -20.51 19.82 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 122.063 -0.398 . . . . 75.13 111.711 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.469 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 6.8 m -158.43 142.85 15.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.353 -0.385 . . . . 63.43 110.725 174.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.653 HG22 ' HB3' ' B' ' 38' ' ' LEU . 0.0 OUTLIER -147.5 133.3 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.171 -0.307 . . . . 73.24 110.171 172.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.466 HG12 ' OD1' ' A' ' 39' ' ' ASN . 96.6 t -134.23 103.44 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-O 121.032 0.444 . . . . 72.41 111.726 178.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.538 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.3 tt -109.3 113.73 26.81 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 109.912 -0.403 . . . . 73.5 109.912 174.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.466 ' OD1' HG12 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -130.92 112.98 13.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.359 0.599 . . . . 74.44 111.637 178.788 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -85.64 136.08 33.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.645 0.736 . . . . 43.32 112.02 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.707 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -119.64 -145.98 0.38 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.244 -0.889 . . . . 70.42 109.874 177.639 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.496 ' O ' HG13 ' A' ' 44' ' ' ILE . 3.9 m-20 -51.7 86.62 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 112.75 0.648 . . . . 53.22 112.75 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.7 5.64 32.04 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 114.775 0.67 . . . . 62.21 114.775 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 42' ' ' ASP . 3.4 mt -132.52 162.16 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 117.574 0.687 . . . . 72.22 110.804 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.62 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 35.3 p90 -133.07 150.75 52.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.713 0.292 . . . . 73.43 111.172 174.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.548 HG22 ' HE3' ' A' ' 41' ' ' LYS . 1.8 t -127.34 111.71 14.2 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.36 -0.382 . . . . 64.04 111.052 174.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.446 ' SG ' HD11 ' A' ' 36' ' ' ILE . 46.7 t -104.56 116.26 31.77 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.294 -0.412 . . . . 64.12 111.546 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.512 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 75.1 m-20 -97.57 114.07 25.91 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.36 0.264 . . . . 63.22 111.039 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.401 HD23 HD12 ' A' ' 8' ' ' ILE . 39.8 tp -98.12 123.25 42.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.842 0.353 . . . . 64.11 111.191 177.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.482 ' HG3' ' NE2' ' A' ' 83' ' ' HIS . 67.2 mmm -117.46 108.22 15.26 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.104 0.478 . . . . 73.31 111.264 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.481 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -139.99 161.4 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.935 -0.575 . . . . 72.22 111.592 -176.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.531 ' HB3' ' HB3' ' A' ' 3' ' ' ASP . 47.7 m-85 -92.93 139.47 30.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.974 0.416 . . . . 61.04 111.487 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.7 m -132.75 141.8 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.01 0.433 . . . . 73.42 111.47 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.46 ' HG3' ' OD2' ' A' ' 3' ' ' ASP . 17.9 mtmm -79.19 -15.5 57.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.331 -0.395 . . . . 74.01 112.06 177.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -160.05 153.22 21.89 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.818 0.342 . . . . 70.42 111.553 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -63.93 -27.89 69.45 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.366 -0.379 . . . . 73.21 112.006 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.07 -41.53 78.93 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.213 0.53 . . . . 61.44 110.655 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -57.43 -51.91 67.52 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.918 -0.583 . . . . 71.42 111.143 174.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.489 HD13 ' HB1' ' A' ' 6' ' ' ALA . 58.4 tp -59.12 -48.11 82.8 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.13 -0.486 . . . . 72.05 112.037 -177.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.4 p -63.72 -35.39 80.39 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.825 0.345 . . . . 74.51 111.448 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.2 m -64.88 -45.45 85.92 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.745 0.307 . . . . 74.43 110.948 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.5 mt -58.29 -49.14 78.2 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.602 -0.272 . . . . 71.21 111.416 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 57.6 mtm -61.49 -36.24 79.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 120.985 -0.286 . . . . 72.41 111.424 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.5 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 24.5 t70 -63.8 -45.77 88.16 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.907 -0.317 . . . . 71.41 110.5 174.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -51.38 -39.05 56.36 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.363 0.601 . . . . 64.32 110.955 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.662 HD13 HD11 ' A' ' 10' ' ' ILE . 38.0 mt -76.71 -28.93 56.02 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.808 -0.633 . . . . 70.04 111.403 177.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 67' ' ' ARG . 3.8 mmp_? -67.79 -18.92 65.01 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.382 -0.372 . . . . 72.02 111.767 176.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.5 ' HE3' ' O ' ' A' ' 64' ' ' ASP . 7.7 mmpt? -71.17 -15.87 62.5 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 111.875 0.324 . . . . 72.35 111.875 -176.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.437 HG12 ' H ' ' A' ' 71' ' ' GLY . 60.7 t -78.04 122.06 32.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 121.034 0.445 . . . . 74.24 111.932 -175.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -61.43 -28.23 69.11 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.717 -0.674 . . . . 51.21 112.441 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.437 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -81.6 -11.32 83.2 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 121.248 -0.501 . . . . 73.54 114.095 -177.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.5 t -97.36 147.0 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 117.471 0.636 . . . . 73.02 111.327 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.35 -34.6 4.26 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 111.949 0.352 . . . . 74.23 111.949 175.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.557 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.4 p -116.39 130.9 57.01 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.141 0.496 . . . . 73.35 111.792 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.1 t -138.13 104.3 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 109.383 -0.599 . . . . 73.4 109.383 171.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -124.12 153.39 41.54 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.29 -0.414 . . . . 74.43 111.812 -171.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.458 ' HD2' HD21 ' A' ' 59' ' ' LEU . 30.4 ttt85 -82.77 126.99 33.02 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.952 0.406 . . . . 71.41 110.858 172.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.9 mt -76.85 96.59 4.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.994 0.426 . . . . 73.42 109.926 172.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.9 p -73.61 -57.31 4.08 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.08 0.467 . . . . 55.32 111.372 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -84.99 107.39 17.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.41 -0.359 . . . . 61.25 110.043 175.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.9 mt -84.87 151.68 24.12 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.627 0.727 . . . . 74.4 112.77 -173.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -90.56 15.88 10.05 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.267 -0.878 . . . . 63.14 110.837 175.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.482 ' NE2' ' HG3' ' A' ' 50' ' ' MET . 18.3 m-70 -88.92 73.5 8.35 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.535 0.683 . . . . 74.45 111.896 -174.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -62.76 101.71 0.28 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.399 -0.818 . . . . 74.53 111.827 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -55.29 132.27 47.5 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.121 -0.49 . . . . 64.42 111.049 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -121.54 177.95 5.01 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.174 0.511 . . . . 73.33 112.176 -171.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -133.29 -177.95 4.76 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.656 -0.702 . . . . 75.54 110.691 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.767 -0.635 . . . . 71.01 111.153 177.768 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.396 0.141 . . . . 74.41 111.217 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.468 HG22 ' O ' ' B' ' 2' ' ' THR . 11.7 m 62.82 24.14 14.38 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.594 0.711 . . . . 73.21 111.551 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.492 ' HA ' ' HA ' ' B' ' 54' ' ' LYS . 4.8 p-10 -95.91 170.85 9.01 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.148 0.499 . . . . 53.23 112.058 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.89 153.89 33.95 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.135 -0.484 . . . . 63.42 110.767 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 tp -78.8 103.21 8.6 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.041 0.448 . . . . 74.1 111.085 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.402 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -94.1 149.01 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.027 -0.533 . . . . 54.53 111.547 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.444 ' HA3' ' HB2' ' B' ' 78' ' ' LEU . . . -122.13 145.54 16.66 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.831 -0.7 . . . . 63.35 113.306 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.495 HD12 HD23 ' B' ' 49' ' ' LEU . 49.5 mt -132.86 149.71 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 122.72 0.408 . . . . 75.03 110.46 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -130.65 124.86 32.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.944 0.402 . . . . 73.25 111.171 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.562 ' HB ' ' HB3' ' B' ' 47' ' ' CYS . 35.3 mt -116.37 117.31 55.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.042 -0.526 . . . . 65.42 110.822 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.653 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 54.3 t -116.62 114.29 45.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-O 121.698 0.761 . . . . 73.12 111.29 176.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.45 170.89 24.23 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.324 -0.853 . . . . 70.02 112.234 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -68.48 134.67 50.47 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.111 0.481 . . . . 65.32 112.099 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -78.61 81.82 4.9 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.449 0.642 . . . . 61.21 111.433 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -94.43 166.71 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.649 0.738 . . . . 75.52 112.649 170.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -75.58 55.89 0.86 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.56 -1.2 . . . . 72.35 111.123 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.26 -27.48 0.25 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.945 -0.57 . . . . 74.2 112.939 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.46 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 38.6 mmm -56.84 -51.01 70.69 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.251 0.463 . . . . 71.34 112.251 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.7 p -58.3 -33.8 69.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.966 0.413 . . . . 64.22 111.831 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -72.47 -47.76 46.21 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.173 0.511 . . . . 54.51 110.659 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.46 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 8.7 pt20 -66.34 -36.7 83.58 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.984 -0.553 . . . . 72.0 111.441 -177.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.48 HD11 HG11 ' B' ' 69' ' ' VAL . 13.8 mm -62.01 -54.45 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 112.22 0.452 . . . . 70.21 112.22 -177.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -71.79 -27.24 62.81 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.228 0.537 . . . . 65.13 110.259 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.505 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.77 -47.58 90.24 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 115.869 -0.605 . . . . 73.21 112.437 173.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 21' ' ' GLN . 92.6 t -65.81 -38.81 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 122.611 -0.346 . . . . 74.43 111.111 175.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.431 HG13 ' O ' ' B' ' 22' ' ' ILE . 72.8 mt -58.11 -41.91 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 120.858 0.361 . . . . 71.24 111.717 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 84.0 p -65.03 -21.58 66.86 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 122.13 -0.356 . . . . 62.23 111.4 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 29.2 mtpp -80.58 -0.91 39.87 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.038 0.384 . . . . 72.54 112.038 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -70.22 163.71 25.85 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.515 0.674 . . . . 74.14 112.078 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -19.05 50.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.734 -0.666 . . . . 74.11 111.328 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.8 t -97.4 157.08 16.17 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.887 0.699 . . . . 63.44 112.887 -170.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -84.55 126.26 33.15 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.734 -0.666 . . . . 75.22 111.287 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.517 ' HA ' HG22 ' B' ' 51' ' ' ILE . 73.3 mt -75.83 99.4 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 120.925 0.393 . . . . 72.33 111.595 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -76.89 -27.35 54.95 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.272 0.558 . . . . 73.01 110.696 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.585 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 6.7 m -159.55 148.49 17.94 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.034 -0.53 . . . . 65.13 110.514 176.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.538 HG22 ' HB3' ' A' ' 38' ' ' LEU . 17.5 tt -157.63 138.35 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.45 0.643 . . . . 73.23 111.628 171.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.543 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 92.8 t -130.37 146.96 33.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.563 -0.744 . . . . 70.33 110.022 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.653 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.6 tt -143.04 110.94 5.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.045 -0.354 . . . . 63.22 110.045 172.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' B' ' 45' ' ' PHE . 55.6 m-20 -113.53 107.91 16.45 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.474 -0.33 . . . . 65.41 111.485 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -90.74 103.69 16.36 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.274 0.559 . . . . 73.33 110.694 175.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' B' ' 43' ' ' GLY . 64.0 pttt -124.54 141.83 51.8 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.993 -0.549 . . . . 71.43 110.507 -178.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' B' ' 41' ' ' LYS . 18.6 t70 71.05 -32.8 0.25 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.573 0.583 . . . . 72.53 112.573 178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' B' ' 41' ' ' LYS . . . 140.84 0.81 1.68 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.711 -0.556 . . . . 45.12 111.711 -171.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.06 153.13 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 122.77 0.428 . . . . 73.24 110.158 175.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.3 p90 -118.48 141.11 48.88 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.897 0.38 . . . . 73.12 111.367 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -113.49 99.89 8.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.992 0.425 . . . . 64.34 110.875 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.562 ' HB3' ' HB ' ' B' ' 10' ' ' ILE . 43.4 t -87.29 108.79 19.11 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.131 0.491 . . . . 72.53 111.803 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.543 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 23.0 m-80 -93.15 105.34 17.44 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.217 -0.447 . . . . 73.3 111.3 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.495 HD23 HD12 ' B' ' 8' ' ' ILE . 63.7 tp -98.29 139.69 33.7 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.864 0.364 . . . . 74.14 111.37 -178.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.585 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.4 mmm -131.61 112.84 12.95 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.852 0.358 . . . . 75.15 110.857 176.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.517 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -139.43 159.07 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.982 0.42 . . . . 63.23 111.822 -176.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -93.23 132.71 37.15 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.022 0.439 . . . . 74.11 112.161 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 m -135.81 159.16 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 116.311 -0.404 . . . . 73.44 110.499 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.492 ' HA ' ' HA ' ' B' ' 3' ' ' ASP . 38.0 mtmm -97.64 -18.87 18.65 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.931 0.396 . . . . 74.23 111.983 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -136.95 142.27 42.64 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.946 0.403 . . . . 73.34 111.45 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -61.04 -29.89 69.99 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.862 0.363 . . . . 73.32 111.585 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.97 -38.67 91.72 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.579 0.704 . . . . 54.52 110.473 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -58.02 -40.85 81.82 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.447 -0.797 . . . . 61.42 110.959 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.402 HD13 ' HB1' ' B' ' 6' ' ' ALA . 57.3 tp -65.11 -47.62 76.51 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.039 -0.528 . . . . 73.42 111.587 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.3 p -64.62 -32.48 74.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.916 0.389 . . . . 65.21 111.235 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 56.1 m -58.43 -41.38 84.93 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.972 0.415 . . . . 73.55 111.326 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.11 -38.12 89.91 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.433 -0.349 . . . . 74.1 110.971 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.443 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 59.4 mtt -55.97 -53.68 53.91 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.53 -0.305 . . . . 74.25 110.678 176.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -53.61 -42.2 67.45 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.266 -0.424 . . . . 71.13 111.195 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -58.94 -45.24 90.91 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.209 0.528 . . . . 71.22 111.337 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.434 HD13 HD11 ' B' ' 10' ' ' ILE . 51.0 mt -72.71 -26.73 61.7 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.098 -0.501 . . . . 74.43 111.575 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' B' ' 63' ' ' MET . 92.7 mtt180 -74.28 -8.35 55.92 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.672 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -77.71 -15.15 59.35 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.785 0.326 . . . . 73.12 111.672 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.48 HG11 HD11 ' B' ' 22' ' ' ILE . 45.1 t -76.03 118.89 23.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.379 0.609 . . . . 64.01 111.47 -177.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 pm0 -51.28 -33.13 27.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.971 -1.013 . . . . 75.44 113.359 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.415 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -93.72 -1.27 65.92 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 120.92 -0.657 . . . . 64.4 114.596 -174.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -104.88 129.9 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-N 117.811 0.806 . . . . 71.24 111.83 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -111.04 -17.37 13.28 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.495 0.554 . . . . 74.55 112.495 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.653 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.1 p -129.06 127.93 42.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.168 0.509 . . . . 70.13 111.893 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.0 t -135.95 104.75 4.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 116.051 -0.522 . . . . 63.34 109.841 172.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -123.73 170.99 9.96 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.283 -0.417 . . . . 50.13 111.875 -171.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -95.79 142.5 28.0 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.163 0.506 . . . . 70.12 111.259 172.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.444 ' HB2' ' HA3' ' B' ' 7' ' ' GLY . 97.5 mt -87.68 109.59 19.8 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.13 0.49 . . . . 71.22 110.285 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 79.6 p -89.51 -43.25 10.95 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.594 0.59 . . . . 75.31 112.594 -173.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -95.85 100.1 11.84 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 120.961 0.41 . . . . 60.54 110.886 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 mt -94.45 138.31 32.53 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.371 0.605 . . . . 72.35 112.582 -174.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.22 15.23 15.92 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.386 0.612 . . . . 71.11 111.485 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -79.03 -0.27 30.63 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.149 -0.478 . . . . 63.01 112.099 -175.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -63.3 -65.92 0.62 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.049 0.452 . . . . 71.45 111.292 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -82.14 66.93 7.94 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.289 0.566 . . . . 61.23 111.197 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -69.57 79.58 0.41 Allowed 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.328 0.585 . . . . 71.22 111.003 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -161.76 150.47 15.57 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.818 -0.628 . . . . 74.13 111.3 -174.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 60.2 m80 . . . . . 0 C--O 1.255 1.363 0 CA-C-O 118.729 -0.653 . . . . 44.41 111.431 175.552 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 mmt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.171 0.51 . . . . 74.43 111.883 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 t -89.71 -171.98 3.39 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.818 -0.628 . . . . 71.45 110.936 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.19 142.06 36.64 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.34 0.496 . . . . 74.53 112.34 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -136.75 157.41 46.83 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.821 0.343 . . . . 73.15 110.16 173.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.422 HD21 ' ND1' ' A' ' 83' ' ' HIS . 47.6 tp -83.01 107.29 15.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.255 0.55 . . . . 75.2 111.361 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -100.32 156.29 17.32 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.811 -0.631 . . . . 71.11 111.709 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.09 147.43 17.71 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 121.128 -0.558 . . . . 40.51 113.594 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.412 HG23 ' HG2' ' A' ' 63' ' ' MET . 41.3 mt -135.76 151.01 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.097 0.559 . . . . 55.33 110.397 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.474 ' HB2' HD21 ' A' ' 78' ' ' LEU . 68.4 ttt180 -131.01 137.56 49.26 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 122.066 -0.396 . . . . 71.3 111.167 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.724 HD11 HD13 ' A' ' 66' ' ' LEU . 46.5 mt -127.9 118.6 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 116.297 -0.41 . . . . 71.15 111.722 -174.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.647 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.3 t -117.07 115.41 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.55 0.69 . . . . 73.55 110.8 172.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.69 168.68 25.83 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.681 -0.69 . . . . 62.03 112.792 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.55 132.09 46.35 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.392 0.615 . . . . 73.0 112.194 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.18 89.71 4.88 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.269 0.557 . . . . 75.44 111.664 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 35.6 mttp -100.83 173.5 6.47 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.797 1.036 . . . . 52.42 113.797 175.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -52.21 -13.5 0.34 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.984 -1.462 . . . . 74.14 114.499 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.46 2.37 0.93 Allowed Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.553 -0.832 . . . . 72.1 114.303 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.507 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 71.5 mmm -64.63 -51.42 62.73 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 117.685 0.742 . . . . 64.11 112.916 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.9 p -60.74 -32.23 71.52 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 122.024 -0.422 . . . . 75.45 111.772 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -74.83 -45.75 41.22 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.987 0.422 . . . . 75.33 110.837 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.507 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.2 pt20 -70.61 -33.19 70.77 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.209 -0.45 . . . . 75.43 111.77 -177.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.528 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 11.7 mm -63.91 -54.66 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 112.111 0.412 . . . . 53.22 112.111 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 m -72.29 -26.8 62.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.269 0.557 . . . . 71.34 110.062 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.599 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.66 -52.3 53.86 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.797 -0.638 . . . . 55.22 112.373 172.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 21' ' ' GLN . 69.9 t -60.32 -38.0 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 122.366 -0.491 . . . . 60.2 111.086 176.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 22' ' ' ILE . 69.2 mt -58.39 -45.09 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 116.2 -0.455 . . . . 65.12 111.774 175.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.446 ' HA ' HD11 ' A' ' 33' ' ' ILE . 96.9 p -67.99 -22.26 65.01 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.834 0.35 . . . . 64.44 111.137 178.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 95.5 mttt -75.55 -6.72 51.66 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.581 -0.281 . . . . 74.3 111.62 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' HE1' ' HZ2' ' A' ' 65' ' ' LYS . 18.3 m-30 -69.03 147.51 51.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.359 0.599 . . . . 71.52 112.18 178.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -63.64 -23.02 67.21 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.525 -0.761 . . . . 63.1 112.336 177.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.8 t -86.97 169.47 12.42 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.322 0.582 . . . . 73.52 112.293 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.445 ' O ' HG22 ' A' ' 51' ' ' ILE . 16.5 m120 -94.63 122.13 36.91 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.18 -0.464 . . . . 75.34 112.241 -177.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.446 HD11 ' HA ' ' A' ' 27' ' ' SER . 57.8 mt -65.33 94.75 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-O 120.96 0.41 . . . . 63.24 110.68 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -80.24 -32.25 38.42 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.792 0.329 . . . . 72.52 110.765 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 63.7 m -155.85 135.91 12.88 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.202 -0.454 . . . . 75.01 110.732 174.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' B' ' 37' ' ' VAL . 10.8 tp -136.01 144.35 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.673 0.273 . . . . 71.14 111.21 177.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 99.3 t -135.06 139.3 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.361 -0.381 . . . . 74.53 110.275 174.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.652 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.3 tt -145.08 127.65 16.09 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.583 -0.525 . . . . 73.54 109.583 171.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.467 ' OD1' HG23 ' A' ' 46' ' ' THR . 1.9 p-10 -144.86 119.34 9.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.209 0.528 . . . . 72.45 111.688 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -104.94 120.69 42.06 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.772 -0.649 . . . . 65.43 112.097 -177.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.47 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -129.85 142.21 50.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.403 -0.362 . . . . 72.45 111.416 177.521 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.4 t70 70.78 -28.43 0.18 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 113.314 0.857 . . . . 54.01 113.314 174.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.68 -2.96 1.29 Allowed Glycine 0 CA--C 1.524 0.613 0 C-N-CA 121.417 -0.42 . . . . 61.03 112.238 -175.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mt -124.9 154.5 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.693 0.282 . . . . 72.41 110.303 176.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.545 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 45.0 p90 -122.63 154.24 38.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 73.14 111.351 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.467 HG23 ' OD1' ' A' ' 39' ' ' ASN . 1.5 t -124.75 103.44 8.09 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.118 0.485 . . . . 73.14 111.352 172.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 45.1 t -97.23 117.67 31.97 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.424 -0.353 . . . . 61.44 111.609 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.504 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 3.1 m-20 -103.11 115.49 30.68 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.397 0.279 . . . . 63.22 110.935 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.1 tp -101.46 136.44 41.29 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.315 0.487 . . . . 62.52 112.315 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.588 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 72.5 mmm -127.31 112.85 15.53 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.765 175.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 32' ' ' ASN . 2.3 pp -141.86 165.72 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 116.355 -0.384 . . . . 54.01 111.72 -175.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -97.0 133.79 41.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.966 0.412 . . . . 55.43 111.953 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 m -132.38 153.32 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.948 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -91.17 -3.06 57.36 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.39 0.515 . . . . 71.45 112.39 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -169.28 148.02 3.83 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 120.769 0.319 . . . . 75.43 111.739 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.2 p -60.59 -26.23 66.82 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.309 0.485 . . . . 73.32 112.309 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.95 -44.31 96.41 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.349 0.595 . . . . 73.11 110.017 177.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -57.16 -41.22 78.79 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.459 -0.791 . . . . 64.52 110.843 174.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.476 HD13 ' HB1' ' A' ' 6' ' ' ALA . 45.7 tp -61.49 -47.41 85.78 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.098 -0.501 . . . . 72.5 111.501 177.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.3 p -64.9 -31.66 73.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.852 0.358 . . . . 54.31 111.183 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.441 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 95.0 m -62.16 -45.26 94.22 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.881 0.372 . . . . 60.1 111.242 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.9 -48.43 80.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.599 -0.273 . . . . 62.34 111.374 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.487 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 69.1 mtm -56.23 -39.03 71.87 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.849 0.357 . . . . 74.45 110.957 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 13.2 t70 -62.32 -46.32 89.26 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.521 -0.308 . . . . 53.44 110.722 175.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB3' ' HZ2' ' A' ' 65' ' ' LYS . 9.0 mtpm? -55.99 -38.71 70.81 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.067 0.461 . . . . 74.13 111.413 176.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.724 HD13 HD11 ' A' ' 10' ' ' ILE . 60.9 mt -73.07 -32.37 64.98 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.029 -0.532 . . . . 74.53 111.34 178.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 63' ' ' MET . 91.9 mtt180 -71.87 -8.85 56.82 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.833 0.349 . . . . 74.43 111.909 177.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.512 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -79.67 -8.54 59.28 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 111.769 0.285 . . . . 75.02 111.769 177.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.9 t -78.65 131.34 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.162 0.506 . . . . 65.51 111.494 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 71' ' ' GLY . 19.0 pt20 -48.22 -48.78 34.85 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.692 0.997 . . . . 62.43 113.692 -174.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.464 ' N ' ' HG3' ' A' ' 70' ' ' GLN . . . -92.78 0.62 70.27 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 115.064 0.785 . . . . 63.32 115.064 -170.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.9 t -94.68 126.26 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 118.155 0.978 . . . . 72.34 111.747 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.11 -24.44 11.95 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.171 -0.468 . . . . 75.24 112.188 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.647 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.3 p -125.25 128.72 48.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.302 0.572 . . . . 62.32 112.091 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 37.7 t -141.33 105.19 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.762 -0.654 . . . . 44.24 109.339 172.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -118.1 164.07 15.68 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.271 0.558 . . . . 55.11 112.392 -173.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.426 ' NH1' ' OG ' ' A' ' 79' ' ' SER . 64.0 ttp85 -86.53 146.5 26.35 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.844 -0.616 . . . . 73.44 111.093 175.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.474 HD21 ' HB2' ' A' ' 9' ' ' ARG . 98.0 mt -104.35 123.25 47.06 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.902 0.382 . . . . 72.21 110.882 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.426 ' OG ' ' NH1' ' A' ' 77' ' ' ARG . 71.2 m -101.33 -45.9 5.19 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.19 0.519 . . . . 62.43 111.33 -178.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -83.13 104.64 13.47 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.108 -0.496 . . . . 63.14 111.003 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.43 ' HB3' ' CD2' ' A' ' 83' ' ' HIS . 71.2 mt -112.48 139.43 48.06 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.997 0.427 . . . . 71.22 112.146 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -83.18 6.98 17.49 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.136 0.493 . . . . 74.41 111.489 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.43 ' CD2' ' HB3' ' A' ' 81' ' ' LEU . 25.6 m-70 -76.98 -18.53 58.16 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.591 0.589 . . . . 73.21 112.591 -169.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -106.93 102.02 11.41 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.081 0.467 . . . . 52.13 111.228 173.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -105.38 133.39 50.21 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.126 -0.488 . . . . 75.23 111.103 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -91.48 135.47 33.82 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.521 0.2 . . . . 74.12 111.308 -176.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -67.82 -31.64 71.63 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.908 0.385 . . . . 74.34 111.2 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.758 -0.639 . . . . 74.42 111.217 176.486 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.693 0.283 . . . . 70.54 111.338 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 93.6 m -75.25 107.23 7.21 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.154 0.502 . . . . 73.41 111.262 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.43 ' HA ' ' HA ' ' B' ' 54' ' ' LYS . 6.6 p-10 -74.78 139.95 43.68 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.931 -0.577 . . . . 61.23 112.357 -178.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -113.12 157.68 21.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.101 -0.5 . . . . 74.15 110.112 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.437 HD21 ' CE1' ' B' ' 83' ' ' HIS . 58.9 tp -80.05 108.53 13.72 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.102 0.477 . . . . 74.12 111.461 -178.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.411 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -108.48 156.03 19.93 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.984 -0.553 . . . . 62.14 112.069 -177.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.98 145.72 15.86 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 121.193 -0.527 . . . . 63.3 113.424 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 54.3 mt -132.48 141.16 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 122.883 0.473 . . . . 74.31 110.922 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.529 ' HB2' HD21 ' B' ' 78' ' ' LEU . 77.2 ttt180 -119.3 127.63 53.38 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 122.002 -0.436 . . . . 71.43 111.279 175.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 46' ' ' THR . 22.0 mt -117.45 118.54 58.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-N 116.075 -0.511 . . . . 71.42 111.089 -178.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.6 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 89.3 t -118.34 118.73 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.47 0.652 . . . . 65.3 111.208 174.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.09 164.87 25.79 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.575 -0.739 . . . . 72.42 112.346 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.406 ' HG3' ' HG2' ' B' ' 15' ' ' LYS . 24.7 pt-20 -69.28 135.81 51.0 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.145 0.498 . . . . 72.13 111.844 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.83 87.94 0.54 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.383 0.611 . . . . 64.21 111.409 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.44 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 32.5 mmmt -88.57 -178.3 5.79 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 122.123 0.963 . . . . 61.32 112.663 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -45.17 -36.7 3.95 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 113.805 -1.543 . . . . 70.35 113.306 175.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.75 24.22 0.49 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 120.829 -0.7 . . . . 74.25 114.125 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.53 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 30.4 mmm -61.2 -50.04 74.74 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.574 0.583 . . . . 71.44 112.574 -179.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 68.1 p -55.01 -33.78 62.9 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.189 0.519 . . . . 73.41 111.525 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -76.02 -48.56 20.5 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.938 -0.573 . . . . 74.03 111.03 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.53 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -67.55 -37.86 83.31 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.319 -0.4 . . . . 60.04 111.561 -177.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' B' ' 22' ' ' ILE . 11.8 mm -57.79 -54.0 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 112.194 0.442 . . . . 62.12 112.194 -177.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m -73.37 -27.08 61.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.365 0.602 . . . . 61.01 110.491 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -38.98 96.65 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-N 115.947 -0.57 . . . . 64.31 112.765 172.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 21' ' ' GLN . 94.8 t -71.96 -35.44 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 O-C-N 122.433 -0.451 . . . . 63.53 111.029 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.436 HG21 HD13 ' B' ' 49' ' ' LEU . 66.4 mt -56.68 -41.33 74.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 120.947 0.403 . . . . 61.25 111.967 176.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.4 p -62.37 -20.86 64.85 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 120.782 0.325 . . . . 54.35 111.528 177.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -90.97 16.82 8.8 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 111.979 0.362 . . . . 72.44 111.979 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' PHE . . . . . 0.401 ' CE1' ' HE3' ' B' ' 65' ' ' LYS . 12.1 m-30 -84.0 166.9 17.38 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.059 0.933 . . . . 74.51 113.217 -178.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.66 13.61 5.51 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 114.574 -1.194 . . . . 63.04 111.555 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.4 t -134.15 163.71 28.99 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.84 -0.537 . . . . 63.03 111.915 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASN . . . . . 0.402 ' O ' HG22 ' B' ' 51' ' ' ILE . 24.3 m120 -97.0 134.18 40.7 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.012 0.434 . . . . 71.52 111.864 -177.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.459 ' HA ' HG22 ' B' ' 51' ' ' ILE . 62.9 mt -72.43 120.68 21.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 116.155 -0.475 . . . . 65.42 111.951 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.443 ' HD3' ' HA ' ' B' ' 34' ' ' ARG . 20.6 mmt180 -98.79 -33.15 11.02 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.914 0.388 . . . . 75.24 111.174 173.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 30.3 m -153.92 132.09 11.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.181 -0.463 . . . . 64.24 111.033 174.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.671 HD11 ' SG ' ' B' ' 47' ' ' CYS . 10.4 tp -133.53 119.04 32.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.045 0.45 . . . . 63.3 110.188 173.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 77.9 t -131.35 104.59 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.05 0.452 . . . . 64.24 111.602 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 35' ' ' THR . 8.3 tt -111.62 131.32 55.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.406 -0.361 . . . . 70.44 110.051 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -143.37 139.11 29.86 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.981 0.42 . . . . 75.02 110.918 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.583 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -109.0 117.1 33.34 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.085 0.469 . . . . 75.32 111.349 178.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.482 ' HG2' ' OD2' ' B' ' 42' ' ' ASP . 0.0 OUTLIER -146.93 153.96 40.72 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.787 -0.642 . . . . 73.42 109.851 -179.522 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.482 ' OD2' ' HG2' ' B' ' 41' ' ' LYS . 22.6 m-20 63.77 21.14 12.55 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.994 0.426 . . . . 74.01 111.388 -176.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.89 -5.15 85.64 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.541 -0.361 . . . . 50.13 113.851 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -124.8 162.03 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 122.537 -0.39 . . . . 54.34 110.201 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.583 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 25.9 p90 -121.72 144.72 48.62 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.873 -0.517 . . . . 73.2 111.685 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 8.7 t -122.75 111.79 17.13 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.005 -0.543 . . . . 71.21 110.987 175.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.671 ' SG ' HD11 ' B' ' 36' ' ' ILE . 44.9 t -92.14 128.63 38.06 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.262 -0.426 . . . . 42.21 110.726 176.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.447 ' O ' HD12 ' B' ' 36' ' ' ILE . 46.3 t-20 -109.41 113.32 26.02 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.332 -0.395 . . . . 53.42 110.671 -177.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.436 HD13 HG21 ' B' ' 26' ' ' ILE . 59.3 tp -111.62 117.38 32.79 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.246 0.546 . . . . 74.43 112.453 -176.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.585 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 69.3 mmm -112.36 112.1 23.43 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.985 -0.552 . . . . 74.21 110.966 175.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.459 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -141.6 165.41 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 116.271 -0.422 . . . . 75.32 111.46 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -92.54 136.53 33.14 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.973 0.416 . . . . 62.11 111.833 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -130.86 141.35 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.851 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' B' ' 3' ' ' ASP . 0.1 OUTLIER -73.08 -11.55 60.59 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.669 0.618 . . . . 75.23 112.669 179.627 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -174.93 176.62 2.14 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.901 0.481 . . . . 74.4 110.962 173.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 81.9 p -70.06 -32.91 71.25 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.662 0.616 . . . . 63.35 112.662 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -62.72 -42.0 99.44 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.766 0.794 . . . . 55.33 110.217 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -58.14 -39.91 79.95 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.896 -1.047 . . . . 73.34 110.976 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.411 HD22 ' HB1' ' B' ' 6' ' ' ALA . 54.7 tp -66.77 -48.17 69.88 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.217 -0.447 . . . . 71.03 111.642 177.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 70.0 p -66.04 -27.72 68.31 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.423 -0.353 . . . . 62.34 111.858 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 92.2 m -58.3 -41.8 85.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.198 0.523 . . . . 73.22 111.051 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.51 -35.58 79.84 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.996 -0.547 . . . . 63.13 111.3 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.454 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 55.3 mtt -59.01 -51.1 71.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.884 0.373 . . . . 53.22 110.526 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.14 -45.11 79.7 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.011 -0.54 . . . . 62.15 110.991 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.401 ' HE3' ' CE1' ' B' ' 29' ' ' PHE . 28.4 mtpp -55.43 -43.67 75.58 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.022 0.439 . . . . 73.32 111.71 176.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 43.6 mt -72.06 -33.11 67.7 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.184 0.516 . . . . 55.44 111.652 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.458 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 98.2 mtt180 -70.15 -7.53 42.4 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.355 0.502 . . . . 75.51 112.355 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -71.95 -15.83 62.08 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 122.011 -0.431 . . . . 60.21 111.2 176.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.481 HG12 ' H ' ' B' ' 71' ' ' GLY . 51.2 t -82.87 119.02 31.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.942 0.401 . . . . 63.0 111.257 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -62.66 -20.2 64.58 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.915 -0.584 . . . . 74.21 112.493 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.481 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -80.46 -20.47 66.48 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 121.116 -0.564 . . . . 73.5 113.73 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 53.4 t -91.3 146.06 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 117.423 0.611 . . . . 74.34 111.53 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -123.96 -21.46 5.09 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.298 0.481 . . . . 74.25 112.298 175.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.6 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 7.8 p -127.22 123.55 36.84 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.926 -0.483 . . . . 62.51 111.841 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.458 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 37.2 t -134.28 103.68 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 109.367 -0.605 . . . . 72.54 109.367 170.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -122.01 170.96 9.31 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.234 0.54 . . . . 75.15 112.231 -169.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -94.76 144.0 25.99 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.017 -0.538 . . . . 64.32 110.671 172.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' B' ' 9' ' ' ARG . 90.0 mt -92.12 125.13 36.68 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.384 -0.371 . . . . 75.33 111.349 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 97.2 p -88.93 -53.98 4.34 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.036 0.384 . . . . 73.52 112.036 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -99.85 108.25 20.47 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.138 0.494 . . . . 63.52 111.78 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.435 ' HB3' ' HD2' ' B' ' 83' ' ' HIS . 55.2 mt -89.6 178.4 6.29 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.053 -0.521 . . . . 65.44 111.582 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.91 6.26 25.15 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.908 0.385 . . . . 71.33 111.967 173.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.437 ' CE1' HD21 ' B' ' 5' ' ' LEU . 43.1 m-70 -70.7 -12.56 61.63 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.692 0.627 . . . . 71.31 112.692 -175.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -91.95 22.13 4.48 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.043 0.449 . . . . 70.53 110.353 173.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -49.32 95.66 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.732 -0.667 . . . . 42.14 112.535 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -98.8 -154.33 0.46 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.62 -0.718 . . . . 73.5 109.215 170.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -112.69 90.72 3.42 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 120.949 0.404 . . . . 64.54 110.481 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.591 -0.718 . . . . 73.43 111.809 -178.415 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mmm . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 120.628 0.251 . . . . 75.42 111.507 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -79.44 152.56 30.22 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.946 0.403 . . . . 42.21 111.497 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -77.24 143.74 38.73 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.032 0.444 . . . . 71.42 111.531 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 6' ' ' ALA . 55.2 p90 -119.63 155.37 32.45 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.882 0.372 . . . . 75.12 110.418 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.4 HD21 ' ND1' ' A' ' 83' ' ' HIS . 28.2 tp -81.68 102.43 10.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.36 0.6 . . . . 54.12 110.931 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.442 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -95.37 155.75 16.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.589 -0.732 . . . . 74.13 111.575 -178.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.33 143.1 14.13 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.172 -0.467 . . . . 63.25 112.811 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.2 mt -131.34 138.08 54.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 122.727 -0.279 . . . . 73.32 110.601 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.555 ' HB2' HD21 ' A' ' 78' ' ' LEU . 54.7 ttp180 -111.75 118.37 35.43 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.183 -0.302 . . . . 74.34 110.183 174.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.524 ' O ' ' HA ' ' A' ' 46' ' ' THR . 31.6 mt -105.91 116.6 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.625 -0.261 . . . . 73.32 110.799 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.574 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 54.4 t -116.31 113.55 43.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 121.669 0.747 . . . . 71.23 111.504 178.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.26 167.62 26.03 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.388 -0.824 . . . . 53.24 112.645 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -65.16 134.05 52.88 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.389 0.614 . . . . 73.21 112.403 -177.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.505 ' CG ' HH12 ' B' ' 34' ' ' ARG . 12.6 t70 -74.08 111.77 9.57 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.811 -0.631 . . . . 74.03 111.613 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -137.77 168.61 19.33 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.489 0.922 . . . . 64.45 113.489 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -72.07 57.9 0.35 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.181 -1.372 . . . . 73.3 112.03 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.38 -33.06 0.32 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 115.451 -0.795 . . . . 72.23 113.268 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.45 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 58.4 mmm -57.96 -51.62 68.89 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.951 0.723 . . . . 71.22 112.951 -178.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.3 p -59.39 -34.15 72.07 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.186 0.517 . . . . 74.02 111.573 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.481 ' HA ' HD12 ' B' ' 33' ' ' ILE . 2.2 m-20 -76.06 -42.38 47.72 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.89 -0.596 . . . . 71.03 111.39 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.451 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.6 pt20 -71.93 -37.31 70.04 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.885 0.374 . . . . 73.43 111.293 -176.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 22' ' ' ILE . 10.1 mm -61.36 -54.33 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.237 0.458 . . . . 43.52 112.237 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.0 m -71.38 -26.97 63.02 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.412 0.625 . . . . 65.24 110.027 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.57 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.43 -45.12 96.02 Favored Glycine 0 CA--C 1.528 0.869 0 CA-C-N 115.753 -0.658 . . . . 51.03 112.582 172.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 21' ' ' GLN . 89.6 t -65.55 -38.39 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 122.364 -0.492 . . . . 61.11 110.933 176.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.462 HG21 HD13 ' A' ' 49' ' ' LEU . 62.5 mt -55.75 -44.63 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 116.165 -0.47 . . . . 74.11 112.084 176.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.5 p -64.2 -21.59 66.63 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.872 0.368 . . . . 72.12 111.03 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 91.2 mttt -86.7 14.32 7.24 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.32 -0.4 . . . . 55.33 111.724 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -86.17 175.42 8.52 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.713 0.768 . . . . 71.11 112.496 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.45 8.55 38.16 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.157 -0.928 . . . . 73.55 111.468 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 t -129.0 165.95 20.14 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 112.515 0.561 . . . . 63.33 112.515 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -99.58 119.93 38.85 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.169 -0.469 . . . . 71.32 112.115 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.61 119.21 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 116.071 -0.513 . . . . 74.0 111.425 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 4.4 mmp_? -100.98 -30.66 11.51 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.462 0.649 . . . . 64.54 110.441 175.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 18.4 m -156.95 145.65 19.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.443 -0.798 . . . . 34.55 109.791 176.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' B' ' 37' ' ' VAL . 14.3 tt -153.63 144.28 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.099 0.476 . . . . 72.24 111.738 173.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.493 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 80.5 t -136.27 134.64 49.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-N 115.625 -0.716 . . . . 72.5 110.253 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.588 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.4 tt -136.46 111.43 8.89 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.928 -0.397 . . . . 75.2 109.928 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.45 ' OD1' HG23 ' A' ' 46' ' ' THR . 6.2 p-10 -130.62 126.05 35.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.187 0.517 . . . . 63.51 111.268 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -103.67 116.6 32.65 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.175 -0.466 . . . . 45.42 112.232 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.523 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -135.92 148.97 48.76 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.001 -0.545 . . . . 73.03 110.623 178.653 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.0 t70 64.81 14.65 9.33 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.361 0.6 . . . . 54.15 111.761 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.92 9.87 70.34 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 121.209 -0.519 . . . . 64.3 113.211 -177.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 mt -130.06 158.3 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 122.698 0.399 . . . . 75.03 109.945 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.474 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 45.5 p90 -128.46 145.57 51.06 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 122.054 -0.404 . . . . 61.41 111.299 178.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.524 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -116.97 106.18 13.13 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.214 0.53 . . . . 61.52 111.475 174.797 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.473 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 53.6 t -88.11 100.12 12.71 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.218 0.532 . . . . 55.11 111.225 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.493 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 27.9 m-80 -84.1 105.13 14.73 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.883 -0.598 . . . . 72.14 111.322 177.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.462 HD13 HG21 ' A' ' 26' ' ' ILE . 52.9 tp -98.71 132.55 44.0 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.999 0.37 . . . . 70.52 111.999 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.538 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.9 mmm -122.57 111.79 17.21 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.389 -0.369 . . . . 64.04 111.172 175.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.39 161.91 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 116.319 -0.4 . . . . 72.41 111.952 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -91.07 131.38 36.68 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.023 0.44 . . . . 75.32 111.971 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.98 147.56 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.921 0.391 . . . . 72.24 110.693 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -74.94 -19.99 59.88 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.093 0.775 . . . . 65.34 113.093 -176.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -163.84 165.63 22.7 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.96 0.409 . . . . 73.44 111.599 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.6 p -63.57 -26.9 68.9 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.058 0.392 . . . . 51.45 112.058 -176.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.18 -41.93 80.7 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.352 0.596 . . . . 71.03 109.666 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -57.98 -34.6 70.14 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.12 -0.946 . . . . 63.31 110.989 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.0 tp -71.38 -48.0 52.71 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.933 -0.576 . . . . 74.34 111.427 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.3 p -61.71 -29.49 70.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.999 0.428 . . . . 74.21 111.193 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 50.6 m -61.23 -47.9 83.94 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.151 0.5 . . . . 75.42 110.751 175.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.93 -36.73 75.25 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.068 -0.515 . . . . 75.32 111.499 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.4 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 62.6 mtt -55.13 -53.62 53.62 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.064 0.459 . . . . 64.14 110.922 175.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.66 -41.97 82.56 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.902 -0.59 . . . . 72.55 110.907 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 61' ' ' THR . 7.5 mtpm? -59.19 -40.02 84.39 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.138 -0.483 . . . . 75.54 111.444 177.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.9 mt -74.65 -29.44 61.26 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.262 0.554 . . . . 74.03 111.157 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.405 ' HE ' ' HB ' ' A' ' 75' ' ' VAL . 96.8 mtt180 -72.55 -6.52 44.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.011 -0.54 . . . . 74.13 111.997 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -71.97 -8.81 56.63 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.775 0.321 . . . . 74.24 111.152 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.5 t -93.68 111.19 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-O 120.987 0.422 . . . . 74.01 110.869 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -57.69 -28.93 64.25 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.69 0.626 . . . . 70.41 112.69 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.68 -16.09 73.91 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 121.183 -0.532 . . . . 53.43 113.87 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.3 t -93.1 134.27 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 117.405 0.603 . . . . 55.31 111.478 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.9 -13.8 11.94 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.366 0.506 . . . . 72.25 112.366 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.574 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -134.26 125.98 28.85 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.07 0.462 . . . . 71.21 111.424 174.592 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.405 ' HB ' ' HE ' ' A' ' 67' ' ' ARG . 35.0 t -130.89 104.02 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 108.925 -0.768 . . . . 64.14 108.925 170.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -124.93 156.7 37.58 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.019 -0.537 . . . . 75.32 112.298 -166.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -86.48 139.63 30.71 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.202 0.525 . . . . 64.31 111.445 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 9' ' ' ARG . 94.9 mt -89.57 108.23 19.54 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.891 -0.595 . . . . 63.4 110.233 173.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.3 p -75.51 -63.48 1.28 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.312 0.486 . . . . 73.24 112.312 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.68 119.25 25.03 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.984 0.421 . . . . 70.02 111.727 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.86 -167.67 1.3 Allowed 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.279 -0.419 . . . . 73.11 111.185 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -147.62 21.5 1.16 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.926 0.393 . . . . 70.41 111.77 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.4 ' ND1' HD21 ' A' ' 5' ' ' LEU . 19.0 m-70 -81.75 156.94 24.71 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.999 -0.438 . . . . 74.42 111.711 -173.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 61.48 24.19 14.33 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.347 -0.388 . . . . 74.41 111.419 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -74.49 29.83 0.08 Allowed 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.081 0.771 . . . . 74.31 113.081 -174.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -111.6 101.4 9.8 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.263 0.554 . . . . 74.2 110.897 177.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -66.31 128.16 35.07 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.183 -0.462 . . . . 75.11 111.023 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 44.0 m80 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.711 -0.662 . . . . 74.42 111.923 -179.294 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 120.769 0.319 . . . . 65.11 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 20.3 m -69.87 -8.94 52.74 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.517 0.932 . . . . 73.01 113.517 -172.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.575 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 11.7 t70 -56.9 140.79 47.29 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 122.056 -0.403 . . . . 63.41 111.543 -177.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' B' ' 6' ' ' ALA . 52.6 p90 -150.31 161.03 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.033 0.444 . . . . 73.31 111.412 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 48.5 tp -81.06 103.46 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.219 0.533 . . . . 74.41 110.79 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.419 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . . . -96.49 152.18 18.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.817 -0.629 . . . . 73.2 112.209 -177.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.53 144.8 15.34 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 116.155 -0.475 . . . . 41.32 113.163 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 51.3 mt -133.59 143.41 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 122.864 0.466 . . . . 52.1 110.471 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.511 ' HB2' HD21 ' B' ' 78' ' ' LEU . 40.1 ttt180 -118.11 131.91 56.39 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.988 -0.445 . . . . 63.41 111.172 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.506 HD11 HD13 ' B' ' 66' ' ' LEU . 37.1 mt -119.46 117.33 53.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.001 -0.545 . . . . 73.42 110.856 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.621 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 60.3 t -121.83 118.65 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.593 0.711 . . . . 73.32 111.119 176.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.0 169.65 26.13 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-N 115.213 -0.903 . . . . 63.15 112.055 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -64.42 132.57 50.43 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.139 0.495 . . . . 75.54 111.625 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -71.9 89.67 1.09 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.354 0.597 . . . . 75.03 111.221 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -105.09 164.03 12.12 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.408 0.623 . . . . 71.32 112.156 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -64.68 5.42 0.3 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.175 -0.92 . . . . 74.42 113.374 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.3 -7.65 0.47 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 120.745 -0.74 . . . . 51.32 113.839 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.484 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 60.9 mmm -70.75 -52.26 21.9 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.466 0.913 . . . . 73.22 113.466 -173.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 75.8 p -61.7 -30.03 70.48 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.946 -0.471 . . . . 74.12 111.63 -178.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -76.49 -47.97 21.07 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.964 0.412 . . . . 62.34 110.819 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.541 ' O ' HG23 ' B' ' 25' ' ' VAL . 19.0 pt20 -66.45 -36.08 81.88 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.347 -0.388 . . . . 71.21 111.684 -177.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.457 HG13 ' CZ ' ' B' ' 45' ' ' PHE . 12.0 mm -63.2 -53.61 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 112.398 0.518 . . . . 55.01 112.398 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 5.1 m -68.38 -27.31 66.12 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.218 0.532 . . . . 71.33 110.021 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.74 -46.34 94.4 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-N 116.051 -0.522 . . . . 74.24 112.589 171.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 21' ' ' GLN . 77.2 t -57.69 -45.65 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.252 0.548 . . . . 75.0 110.677 174.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.442 HG21 HD13 ' B' ' 49' ' ' LEU . 79.8 mt -60.08 -47.32 92.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-N 115.728 -0.669 . . . . 73.12 111.921 177.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' SER . . . . . 0.528 ' HA ' HD11 ' B' ' 33' ' ' ILE . 94.2 p -62.83 -24.48 67.8 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.233 0.457 . . . . 72.01 112.233 -176.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.54 14.77 25.38 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.365 0.505 . . . . 73.2 112.365 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -68.34 165.99 17.52 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.458 0.647 . . . . 75.54 111.465 173.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -92.96 7.85 42.3 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.552 -0.749 . . . . 73.54 111.703 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 t -111.22 159.8 17.56 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.895 0.379 . . . . 74.43 111.277 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASN . . . . . 0.435 ' O ' HG22 ' B' ' 51' ' ' ILE . 26.2 t-20 -86.85 120.77 28.49 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.993 0.425 . . . . 71.34 111.847 -176.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' B' ' 27' ' ' SER . 67.7 mt -67.67 111.16 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 121.174 0.512 . . . . 54.1 111.537 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.505 HH12 ' CG ' ' A' ' 14' ' ' ASP . 8.1 tpp180 -92.25 -34.92 14.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.893 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 67.5 m -158.67 132.66 7.75 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.308 -0.406 . . . . 74.11 110.852 174.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.51 HD11 ' SG ' ' B' ' 47' ' ' CYS . 11.2 tp -130.82 136.97 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 120.926 0.393 . . . . 71.44 110.779 174.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 58.5 t -133.18 140.42 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 116.283 -0.417 . . . . 74.25 110.381 176.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 35' ' ' THR . 9.9 tt -144.85 134.43 23.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 122.156 -0.34 . . . . 53.33 110.459 174.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -148.85 135.25 19.43 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.862 0.363 . . . . 63.24 111.242 172.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -99.68 123.88 44.37 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.3 -0.409 . . . . 45.5 111.427 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -141.58 144.59 34.32 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.065 -0.516 . . . . 65.42 111.138 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 63.24 13.85 7.28 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.499 0.555 . . . . 73.0 112.499 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.44 -2.62 65.3 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 121.061 -0.59 . . . . 73.31 112.644 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.433 HG22 ' H ' ' B' ' 45' ' ' PHE . 2.0 mt -116.97 178.63 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 123.437 0.695 . . . . 55.54 109.225 178.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.52 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 32.4 p90 -137.44 161.37 36.52 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.854 -0.529 . . . . 74.35 111.244 170.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 t -134.85 115.01 13.16 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.023 0.44 . . . . 75.44 111.088 174.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' B' ' 36' ' ' ILE . 46.3 t -108.11 120.14 41.48 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.286 -0.415 . . . . 75.25 111.29 178.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -103.0 111.63 24.06 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.773 0.321 . . . . 65.03 110.974 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.442 HD13 HG21 ' B' ' 26' ' ' ILE . 44.9 tp -99.06 132.53 44.3 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.053 0.454 . . . . 71.11 111.987 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.555 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 60.4 mmm -124.13 113.23 18.08 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.237 -0.438 . . . . 55.55 110.681 175.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.517 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -144.57 158.74 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.06 0.457 . . . . 72.45 111.755 -177.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -91.54 140.28 29.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.913 0.387 . . . . 73.02 111.57 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 8.9 m -139.66 140.89 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.489 -0.323 . . . . 74.1 110.258 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.471 ' NZ ' ' HB2' ' B' ' 54' ' ' LYS . 4.7 ttmp? -71.02 -36.25 72.34 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 111.994 0.368 . . . . 75.15 111.994 178.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.475 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 18.2 m120 -135.44 151.31 50.29 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.527 -0.306 . . . . 64.03 111.273 -177.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 64.9 p -61.08 -30.18 70.19 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.777 0.323 . . . . 73.34 111.353 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -62.01 -40.49 95.86 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.616 0.722 . . . . 64.3 110.183 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 45.3 tptt -58.04 -40.5 81.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.287 -0.869 . . . . 74.31 110.843 174.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.663 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 60.4 tp -68.37 -48.13 65.58 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.13 -0.486 . . . . 72.14 111.663 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 69.5 p -62.51 -34.96 77.92 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.053 0.454 . . . . 71.34 111.269 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.462 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 72.0 m -59.53 -40.72 88.1 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.239 -0.437 . . . . 63.22 111.279 175.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.09 -41.47 96.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.702 0.287 . . . . 73.23 111.306 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.663 ' HE3' ' HG ' ' B' ' 59' ' ' LEU . 50.5 mtt -55.67 -48.33 75.24 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.191 0.52 . . . . 72.42 110.275 175.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.9 -46.26 78.43 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.628 -0.715 . . . . 71.43 111.033 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 61' ' ' THR . 52.9 mtpt -58.24 -37.54 75.1 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.22 -0.446 . . . . 44.32 111.749 178.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.506 HD13 HD11 ' B' ' 10' ' ' ILE . 59.0 mt -76.05 -33.23 59.59 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.143 0.497 . . . . 43.13 111.785 178.221 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' B' ' 63' ' ' MET . 86.9 mtt180 -67.69 -8.16 32.9 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.651 0.612 . . . . 74.04 112.651 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -71.93 -13.7 61.72 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 111.808 0.299 . . . . 74.44 111.808 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.437 HG12 ' H ' ' B' ' 71' ' ' GLY . 54.0 t -86.98 117.26 30.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-O 120.99 0.424 . . . . 72.34 111.823 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.94 -23.0 63.19 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.93 0.715 . . . . 74.33 112.93 -177.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.484 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -76.68 -16.95 80.33 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 120.957 -0.64 . . . . 74.44 113.695 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.403 HG23 ' HE1' ' B' ' 18' ' ' MET . 58.8 t -97.42 141.85 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 117.227 0.514 . . . . 63.11 111.834 -178.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.4 -6.96 6.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.578 0.584 . . . . 73.53 112.578 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.621 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.6 p -136.0 118.41 15.74 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.902 0.382 . . . . 71.21 111.588 175.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.0 t -135.45 105.37 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.717 -0.475 . . . . 74.34 109.717 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -142.09 171.89 13.44 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.131 0.491 . . . . 71.41 111.897 -173.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -85.31 147.32 26.6 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.383 0.611 . . . . 75.31 112.132 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' B' ' 9' ' ' ARG . 96.0 mt -93.19 109.81 21.32 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.857 -0.61 . . . . 72.21 110.268 173.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 83.9 p -71.82 -68.78 0.43 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.488 0.551 . . . . 72.11 112.488 -174.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -88.67 106.63 18.46 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.011 0.434 . . . . 65.21 111.486 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 51.6 mt -84.08 151.36 24.99 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.083 0.468 . . . . 64.34 111.577 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -104.31 23.6 12.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.124 0.488 . . . . 61.53 111.182 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -77.52 -19.05 56.41 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.465 -0.334 . . . . 74.41 111.521 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -71.69 119.19 15.5 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.827 0.346 . . . . 72.45 110.45 174.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -79.62 128.01 32.87 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.958 0.408 . . . . 72.34 111.78 -176.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -96.05 100.71 12.34 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.251 0.548 . . . . 51.04 111.095 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -174.97 152.25 1.47 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.979 -0.555 . . . . 64.4 110.873 -177.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.919 -0.562 . . . . 62.55 111.306 178.4 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mmt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 110.48 -0.193 . . . . 70.34 110.48 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.2 m -77.32 80.79 3.82 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.129 0.49 . . . . 63.24 109.983 171.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.455 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 4.2 m-20 -79.67 116.16 19.69 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.356 -0.384 . . . . 74.31 110.083 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -121.81 161.95 21.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.382 0.61 . . . . 74.13 111.214 -175.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -82.03 102.61 11.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.737 -0.665 . . . . 70.23 110.234 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.46 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -94.17 134.73 36.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.915 -0.584 . . . . 71.54 112.007 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.13 145.48 16.6 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.19 -0.529 . . . . 74.25 112.607 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.428 HD12 HD23 ' A' ' 49' ' ' LEU . 27.9 mt -130.51 136.99 57.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 122.529 -0.395 . . . . 73.03 110.539 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' HB2' HD21 ' A' ' 78' ' ' LEU . 66.4 ttt180 -113.86 117.98 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 72.23 110.93 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.7 HD11 HD13 ' A' ' 66' ' ' LEU . 33.5 mt -109.65 117.03 53.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.472 . . . . 62.52 110.618 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.632 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 49.3 t -117.5 105.87 18.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.717 0.77 . . . . 74.12 111.011 174.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.08 162.37 21.87 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.1 -0.955 . . . . 74.22 112.175 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -76.97 126.78 31.54 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.393 0.616 . . . . 72.14 112.062 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -69.32 105.43 2.55 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.905 -0.589 . . . . 61.32 111.561 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -165.8 137.51 3.91 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.228 0.455 . . . . 73.44 112.228 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 59.69 14.69 4.2 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.973 1.101 . . . . 54.34 113.973 171.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.641 ' HA2' HD22 ' B' ' 32' ' ' ASN . . . 100.32 21.79 12.65 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.453 -0.88 . . . . 34.24 113.828 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.48 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 36.8 mmm -53.9 -48.76 69.81 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.901 0.382 . . . . 43.42 112.029 176.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.1 p -54.0 -41.78 68.32 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.119 0.485 . . . . 54.42 111.829 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.445 ' OD1' ' HA ' ' B' ' 27' ' ' SER . 56.5 t30 -76.56 -42.35 43.18 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.029 -0.532 . . . . 73.12 110.963 -175.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.2 pt20 -66.79 -33.86 76.55 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.885 0.374 . . . . 74.43 111.242 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 22' ' ' ILE . 7.1 mm -61.59 -53.01 54.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 112.183 0.438 . . . . 51.31 112.183 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 m -70.01 -27.56 64.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.328 0.585 . . . . 73.1 110.107 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.12 -33.78 81.11 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 115.879 -0.6 . . . . 73.4 112.546 170.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 21' ' ' GLN . 92.0 t -74.56 -35.53 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 121.012 0.435 . . . . 73.42 110.955 174.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.421 HG22 HD11 ' A' ' 33' ' ' ILE . 70.0 mt -61.41 -36.56 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 CA-C-O 120.996 0.427 . . . . 73.31 111.466 176.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.2 p -63.77 -20.6 65.89 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 122.123 -0.361 . . . . 72.41 111.651 176.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.532 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 11.5 mmpt? -71.65 -8.33 53.45 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 111.807 0.299 . . . . 54.34 111.807 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -74.83 159.97 31.26 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.737 1.014 . . . . 72.34 113.737 -172.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -85.8 -10.43 55.48 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.739 -1.119 . . . . 64.35 111.197 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 t -100.97 173.47 6.47 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.937 0.399 . . . . 75.44 111.781 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -106.1 121.48 44.24 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.789 0.328 . . . . 61.24 111.761 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 26' ' ' ILE . 59.8 mt -68.56 105.28 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 116.32 -0.4 . . . . 65.22 111.39 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.96 -21.03 25.1 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.844 -0.535 . . . . 64.32 110.968 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 90.5 m -158.07 131.91 7.9 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.009 -0.542 . . . . 72.34 110.839 175.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.679 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.8 tp -135.02 133.83 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.945 0.402 . . . . 62.24 110.303 173.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 95.7 t -127.82 136.43 60.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 116.081 -0.509 . . . . 72.3 110.261 176.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.633 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.2 tt -143.94 122.51 12.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.845 0.355 . . . . 65.14 110.092 175.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 4.1 p-10 -144.7 124.99 13.76 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.93 -0.577 . . . . 73.51 110.931 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.42 113.25 25.85 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.15 0.5 . . . . 74.21 112.164 -177.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.553 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -138.49 157.01 47.01 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.791 -0.64 . . . . 74.32 109.459 175.312 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.427 ' OD2' ' HG2' ' A' ' 41' ' ' LYS . 21.8 m-20 65.31 14.78 9.65 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.097 0.475 . . . . 72.32 110.856 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.98 9.96 86.56 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 121.383 -0.437 . . . . 73.11 112.54 -173.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.3 mt -128.63 154.75 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 122.921 0.488 . . . . 72.3 110.447 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 49.5 p90 -119.61 144.67 47.0 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.784 -0.573 . . . . 73.01 111.352 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 t -116.08 99.62 7.37 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.038 0.447 . . . . 74.01 111.095 174.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.679 ' SG ' HD11 ' A' ' 36' ' ' ILE . 42.4 t -87.02 111.19 20.63 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.008 0.432 . . . . 62.4 111.285 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.524 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 19.7 m-80 -97.8 106.97 19.36 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.094 -0.503 . . . . 72.35 111.112 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 8' ' ' ILE . 62.3 tp -98.91 133.26 43.45 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.885 0.374 . . . . 75.04 111.776 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.554 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 66.6 mmm -123.0 112.07 17.36 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.903 0.383 . . . . 73.31 111.075 175.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.81 158.91 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 116.199 -0.455 . . . . 44.55 111.542 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -90.21 139.24 30.83 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.991 0.424 . . . . 63.52 111.505 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 30.8 m -131.82 147.27 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 120.981 0.42 . . . . 65.4 111.363 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.497 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.5 ptmt -85.21 -14.2 47.57 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.092 -0.504 . . . . 72.35 112.316 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.497 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.7 p30 -164.71 167.79 18.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.097 0.475 . . . . 71.45 111.655 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.4 p -67.33 -36.8 82.18 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.397 0.518 . . . . 74.31 112.397 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.03 -33.37 75.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.729 0.776 . . . . 73.32 110.296 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 49.7 tptt -59.47 -47.12 86.7 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.38 -0.827 . . . . 74.02 110.819 172.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.46 HD13 ' HB1' ' A' ' 6' ' ' ALA . 54.7 tp -64.43 -47.93 77.23 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.038 -0.528 . . . . 63.13 111.693 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.7 p -61.5 -35.44 77.7 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 111.662 0.245 . . . . 72.52 111.662 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.9 m -63.24 -44.15 96.04 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.68 0.276 . . . . 72.15 111.127 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.8 mt -58.02 -46.18 85.71 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.937 0.399 . . . . 74.42 111.22 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.404 ' HG2' HG23 ' A' ' 8' ' ' ILE . 71.4 mtm -61.95 -33.54 74.47 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.387 -0.369 . . . . 71.43 111.48 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -69.1 -44.34 72.65 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.048 0.451 . . . . 74.22 110.551 174.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -54.55 -40.95 69.22 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.213 0.53 . . . . 65.42 111.327 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.7 HD13 HD11 ' A' ' 10' ' ' ILE . 59.4 mt -74.21 -33.25 63.32 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.883 -0.599 . . . . 73.3 111.535 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 67' ' ' ARG . 44.0 ttm105 -71.91 -6.44 41.94 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.966 -0.561 . . . . 64.2 111.972 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -70.82 -16.61 62.74 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 122.096 -0.377 . . . . 71.45 111.441 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.9 t -78.49 116.99 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.12 0.486 . . . . 74.01 111.47 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -57.45 -26.75 61.67 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.921 0.711 . . . . 62.53 112.921 -176.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.02 -11.35 85.27 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.864 -0.684 . . . . 31.43 113.442 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.4 t -93.14 144.11 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 O-C-N 122.199 -0.589 . . . . 75.25 111.178 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -128.43 -8.02 5.22 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.184 -0.462 . . . . 73.01 112.031 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.632 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.2 p -139.11 126.38 21.43 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.061 0.458 . . . . 65.33 111.335 173.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 t -136.32 103.47 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.945 -0.761 . . . . 73.4 108.945 171.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -124.41 154.38 40.51 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.491 0.552 . . . . 73.14 112.491 -169.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HG3' HD21 ' A' ' 59' ' ' LEU . 52.4 ttp85 -82.14 131.76 35.24 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.773 -0.649 . . . . 75.3 111.671 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' A' ' 9' ' ' ARG . 98.5 mt -95.58 105.37 17.35 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.972 0.415 . . . . 65.51 111.269 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.5 p -89.97 -38.73 13.44 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.033 0.444 . . . . 62.22 110.823 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -76.69 100.77 5.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.083 -0.508 . . . . 71.5 111.244 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.4 mt -106.7 155.45 19.66 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.3 0.571 . . . . 63.53 111.951 -177.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -120.76 29.3 7.47 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.696 -0.684 . . . . 72.43 111.712 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -80.88 77.96 7.72 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.105 0.479 . . . . 75.21 112.202 -175.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -107.06 116.91 32.75 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.025 0.441 . . . . 62.15 111.123 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -125.51 -54.27 1.56 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.555 -0.293 . . . . 74.1 111.652 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 57.71 23.79 9.9 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.08 0.467 . . . . 72.33 111.247 -177.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -77.02 81.47 3.54 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.157 -0.474 . . . . 75.0 111.985 -171.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.1 m80 . . . . . 0 C--O 1.252 1.216 0 CA-C-N 116.127 -0.488 . . . . 62.12 111.047 175.02 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.726 0.298 . . . . 65.54 110.824 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 4.6 t -151.04 132.55 14.73 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.888 0.375 . . . . 62.14 112.005 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -80.27 158.34 26.19 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.265 -0.425 . . . . 72.44 111.622 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -151.06 154.55 37.22 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.042 0.449 . . . . 74.32 111.301 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.6 tp -79.07 103.14 8.81 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.968 -0.56 . . . . 74.32 110.535 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -96.27 133.22 40.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 40.52 112.136 -176.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.46 150.48 17.63 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.198 -0.525 . . . . 75.11 113.354 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 53.8 mt -135.78 128.24 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 122.563 0.345 . . . . 74.41 110.424 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.548 ' HB2' HD21 ' B' ' 78' ' ' LEU . 66.7 ttt180 -100.78 136.95 39.83 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.894 -0.504 . . . . 73.23 111.331 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.615 HD11 HD13 ' B' ' 66' ' ' LEU . 62.7 mt -126.05 117.96 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.862 -0.608 . . . . 74.03 110.973 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.647 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 43.1 t -118.02 112.96 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 121.591 0.71 . . . . 72.41 110.919 172.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.04 165.34 25.16 Favored Glycine 0 CA--C 1.522 0.478 0 CA-C-N 115.512 -0.767 . . . . 64.42 112.553 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -67.66 126.97 31.05 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.313 0.577 . . . . 71.25 111.828 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.95 94.39 0.63 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.201 0.524 . . . . 65.41 110.983 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -118.78 175.14 5.88 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.792 1.034 . . . . 74.3 113.792 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 67.31 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 113.188 -1.823 . . . . 72.22 113.361 175.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.39 -15.28 8.68 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.029 -0.605 . . . . 71.31 114.442 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.433 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 36.8 mmm -53.94 -50.67 65.92 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 117.601 0.701 . . . . 64.34 112.737 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.9 p -58.59 -36.54 74.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.257 0.551 . . . . 74.02 111.377 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -73.67 -40.76 63.45 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.904 -0.589 . . . . 75.34 110.868 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.486 ' O ' HG23 ' B' ' 25' ' ' VAL . 19.7 pt20 -73.82 -35.58 64.86 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.1 -0.5 . . . . 70.11 111.395 -178.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.435 HG13 ' HZ ' ' B' ' 45' ' ' PHE . 12.4 mm -62.08 -54.29 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 112.256 0.465 . . . . 73.24 112.256 -177.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -67.64 -27.33 66.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.47 0.652 . . . . 71.31 110.006 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.552 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -62.07 -48.51 82.68 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.752 -0.658 . . . . 71.33 112.591 172.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 21' ' ' GLN . 90.7 t -61.05 -37.59 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.889 0.376 . . . . 63.12 111.113 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.489 HG21 HD13 ' B' ' 49' ' ' LEU . 73.3 mt -58.24 -41.63 81.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-O 121.079 0.466 . . . . 74.32 111.34 175.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' SER . . . . . 0.445 ' HA ' ' OD1' ' A' ' 20' ' ' ASN . 6.2 m -59.89 -23.89 63.84 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.33 0.586 . . . . 65.43 111.233 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 43.1 mtpt -87.23 20.62 2.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.75 -0.659 . . . . 72.44 111.641 -175.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -92.64 164.76 13.28 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.411 0.624 . . . . 72.21 111.782 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.38 -23.97 54.13 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.597 -0.729 . . . . 74.14 111.345 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.1 t -91.28 178.71 5.9 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.653 -0.703 . . . . 73.15 112.457 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASN . . . . . 0.641 HD22 ' HA2' ' A' ' 17' ' ' GLY . 28.5 t-20 -106.39 125.21 50.72 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.256 -0.429 . . . . 74.24 111.476 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.464 ' HA ' HG22 ' B' ' 51' ' ' ILE . 62.1 mt -66.89 103.73 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 116.341 -0.39 . . . . 63.12 111.382 177.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -82.35 -32.57 29.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 72.11 110.603 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.592 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 69.7 m -153.89 132.48 12.17 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.951 -0.568 . . . . 53.13 110.987 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.633 HG22 ' HB3' ' A' ' 38' ' ' LEU . 10.7 tp -135.7 137.7 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 120.996 0.427 . . . . 73.14 110.822 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.485 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 84.7 t -133.35 141.57 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.141 -0.482 . . . . 64.15 110.611 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' A' ' 35' ' ' THR . 7.7 tt -145.4 131.87 19.74 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 122.109 -0.369 . . . . 64.51 110.194 174.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -149.61 148.9 29.88 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 120.838 0.351 . . . . 53.32 111.056 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.31 138.43 43.52 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.129 0.49 . . . . 73.04 110.434 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -126.9 -93.13 0.48 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.018 -0.537 . . . . 72.3 112.356 -170.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.55 44.68 0.99 Allowed 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 122.783 0.433 . . . . 72.35 111.501 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.64 18.58 77.34 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.58 -0.819 . . . . 62.11 111.422 -170.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.1 mt -135.31 147.78 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 123.642 0.777 . . . . 60.51 109.484 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 44.4 p90 -112.02 137.06 50.57 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.655 -0.418 . . . . 75.52 111.037 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.3 t -111.3 100.24 8.89 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.368 0.604 . . . . 75.12 111.341 174.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.544 ' SG ' HD11 ' B' ' 36' ' ' ILE . 48.4 t -91.11 131.34 36.74 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.077 -0.511 . . . . 74.33 111.907 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.485 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 29.2 m-80 -111.7 110.73 21.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 122.495 0.318 . . . . 75.32 110.888 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.489 HD13 HG21 ' B' ' 26' ' ' ILE . 46.5 tp -99.11 137.29 37.85 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.883 0.373 . . . . 71.31 111.875 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.535 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.3 mmm -131.67 112.3 12.44 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.254 -0.43 . . . . 75.34 111.275 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -138.76 160.77 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.349 -0.387 . . . . 63.4 111.612 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -93.56 137.47 32.81 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.977 0.417 . . . . 71.35 111.912 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.9 m -131.95 163.43 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 116.178 -0.464 . . . . 63.54 110.904 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -93.29 -16.89 24.24 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 111.765 0.284 . . . . 73.0 111.765 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -161.46 172.86 15.75 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.101 0.477 . . . . 72.4 111.811 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -74.61 -30.53 61.7 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.085 -0.507 . . . . 72.3 112.331 -177.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -63.58 -39.9 95.59 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.964 0.887 . . . . 63.52 109.76 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -59.88 -35.56 75.08 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.583 -1.189 . . . . 63.32 111.423 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.612 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 57.4 tp -76.67 -47.44 22.09 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.287 -0.415 . . . . 71.13 111.653 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 73.1 p -59.48 -32.12 69.97 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.935 0.398 . . . . 74.03 111.594 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 70.2 m -64.25 -42.42 96.51 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.256 -0.429 . . . . 73.24 111.747 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 64.7 mt -62.1 -37.32 84.66 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.69 0.281 . . . . 74.13 111.109 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.612 ' HE3' ' HG ' ' B' ' 59' ' ' LEU . 56.2 mtt -55.78 -50.93 69.11 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.104 0.478 . . . . 71.14 110.632 175.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.37 -43.2 96.81 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.784 -0.644 . . . . 60.13 111.008 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -56.54 -40.7 75.54 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.082 0.468 . . . . 74.5 111.551 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.615 HD13 HD11 ' B' ' 10' ' ' ILE . 65.9 mt -74.01 -35.02 64.37 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.163 -0.471 . . . . 72.52 111.747 178.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.448 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 95.2 mtt180 -68.71 -7.79 36.72 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.802 0.667 . . . . 73.51 112.802 -179.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -72.61 -13.3 61.35 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.102 -0.374 . . . . 73.12 111.467 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 40.8 t -86.44 108.54 17.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.301 0.572 . . . . 64.11 111.336 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -34.43 9.14 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.311 -0.859 . . . . 64.51 113.082 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.5 -20.52 73.77 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.134 -0.555 . . . . 74.4 113.927 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.44 HG11 HG23 ' B' ' 10' ' ' ILE . 93.5 t -99.29 134.09 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 122.358 -0.495 . . . . 73.35 111.484 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -117.06 -7.62 11.3 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.709 0.633 . . . . 74.23 112.709 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.647 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 8.8 p -136.31 121.46 19.03 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.95 0.405 . . . . 62.43 111.572 175.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.448 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 43.6 t -135.39 104.64 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.558 -0.534 . . . . 71.04 109.558 171.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -128.71 168.82 15.26 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.179 0.514 . . . . 70.04 112.328 -170.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -86.71 139.57 30.63 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.042 -0.526 . . . . 73.45 112.315 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' B' ' 9' ' ' ARG . 96.2 mt -108.47 96.64 6.49 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.071 -0.513 . . . . 72.33 110.788 174.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 71.6 m -96.85 -22.01 17.16 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.005 0.431 . . . . 64.43 111.41 175.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -86.13 81.99 8.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.066 0.46 . . . . 70.33 110.286 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 63.9 mt -98.0 141.92 30.36 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.733 0.642 . . . . 60.51 112.733 -172.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.28 3.88 50.6 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.795 -0.639 . . . . 62.14 110.59 176.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -63.39 -13.56 40.97 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.651 -0.704 . . . . 74.01 111.278 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -85.75 87.58 7.42 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.855 -0.424 . . . . 74.13 109.855 172.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -71.2 74.54 0.69 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.554 0.692 . . . . 74.25 111.614 -177.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -82.0 56.91 3.29 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.958 -0.564 . . . . 73.33 111.591 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -153.92 147.5 25.14 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.432 -0.349 . . . . 74.31 110.959 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 72.7 t60 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.87 -0.586 . . . . 73.31 111.446 -177.704 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' HB ' ' A' ' 2' ' ' THR . 41.2 tpp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 111.496 0.184 . . . . 75.3 111.496 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 1' ' ' MET . 85.2 m 75.6 -32.45 0.21 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.245 0.618 . . . . 51.41 112.094 -178.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -71.77 164.61 25.67 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.197 0.523 . . . . 64.23 111.961 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -155.05 162.21 41.12 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.194 -0.457 . . . . 74.53 111.074 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.65 105.64 12.05 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.25 0.548 . . . . 53.4 110.713 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.56 149.44 24.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.817 -0.629 . . . . 63.42 111.898 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.42 148.07 16.73 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.334 -0.46 . . . . 75.22 113.117 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.3 mt -134.36 139.64 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.687 0.395 . . . . 40.32 110.422 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' HB3' ' HG3' ' A' ' 76' ' ' GLU . 35.3 ttm180 -117.42 120.9 39.56 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.278 0.561 . . . . 72.51 111.351 177.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.604 HD11 HD13 ' A' ' 66' ' ' LEU . 53.1 mt -110.77 118.9 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.605 -0.725 . . . . 74.23 111.588 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.599 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 74.8 t -125.17 121.23 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.458 0.647 . . . . 71.32 111.102 174.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.44 168.18 29.1 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 115.655 -0.702 . . . . 70.41 112.521 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.39 129.93 41.82 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.251 0.548 . . . . 72.43 111.37 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -74.62 103.15 4.81 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.161 -0.472 . . . . 74.2 111.516 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.53 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 10.1 mmmm -112.78 -177.89 3.26 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.971 0.891 . . . . 75.03 112.616 -177.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -50.14 -27.93 6.57 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.269 -1.332 . . . . 74.35 114.019 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.33 23.61 0.86 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 119.97 -1.11 . . . . 44.21 114.822 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.53 ' HG2' ' HB2' ' A' ' 15' ' ' LYS . 74.4 mmm -70.07 -51.34 32.72 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 117.715 0.757 . . . . 70.34 112.191 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.0 p -57.86 -37.24 73.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.938 0.399 . . . . 73.12 111.812 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -76.38 -46.86 25.44 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.241 -0.436 . . . . 75.21 110.743 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.1 pt20 -65.03 -36.14 83.42 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.708 0.29 . . . . 64.33 111.633 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.437 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 10.8 mm -64.48 -53.56 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.043 0.386 . . . . 73.12 112.043 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.8 m -68.99 -27.7 65.94 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.094 0.473 . . . . 63.31 110.39 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.02 -49.32 68.03 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 116.206 -0.452 . . . . 62.15 112.339 173.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 21' ' ' GLN . 77.1 t -56.8 -39.35 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.208 0.528 . . . . 74.01 110.682 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.462 HG21 HD13 ' A' ' 49' ' ' LEU . 73.4 mt -63.49 -46.21 95.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 115.905 -0.589 . . . . 64.31 111.705 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.0 p -65.86 -22.42 66.53 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 111.984 0.364 . . . . 71.54 111.984 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -97.4 24.02 6.98 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.909 0.385 . . . . 73.44 111.338 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -78.49 -174.58 3.88 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.494 0.664 . . . . 74.44 111.351 171.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -91.44 -40.83 11.2 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.368 -0.833 . . . . 72.25 111.727 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 t -76.85 173.45 11.7 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.029 -0.532 . . . . 63.12 112.332 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.535 ' OD1' ' HB2' ' B' ' 20' ' ' ASN . 62.0 t30 -110.13 142.52 41.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.136 0.493 . . . . 72.11 111.631 -176.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -75.08 115.48 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.775 -0.648 . . . . 73.51 112.199 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 12.4 mmt180 -92.04 -33.14 14.93 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.149 0.5 . . . . 64.34 110.885 174.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 12.3 m -157.39 144.48 18.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.938 -0.573 . . . . 75.32 109.937 175.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 17.8 tt -152.41 131.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.942 0.401 . . . . 74.01 111.08 171.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.567 HG22 HG13 ' B' ' 37' ' ' VAL . 93.7 t -131.06 106.18 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.128 -0.487 . . . . 73.11 111.197 -176.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.585 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.3 tt -118.64 121.81 41.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.59 -0.277 . . . . 71.41 110.973 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -143.01 141.85 31.45 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 120.874 0.368 . . . . 70.51 111.344 173.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.575 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -109.88 129.37 55.66 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.4 0.519 . . . . 75.05 112.4 -176.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.38 162.21 40.86 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.797 -0.638 . . . . 64.31 110.268 178.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 63.53 15.58 8.94 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.689 0.396 . . . . 60.55 111.695 -177.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.36 4.27 90.24 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.007 -0.615 . . . . 73.45 112.276 -174.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.44 170.68 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 109.538 -0.542 . . . . 75.22 109.538 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 21.4 p90 -131.94 150.74 52.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.1 -0.375 . . . . 75.55 110.676 172.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 3.8 t -132.71 121.53 23.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 74.42 111.251 176.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.8 t -119.8 119.76 34.53 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.107 -0.497 . . . . 74.52 111.48 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.9 m-20 -98.37 115.27 28.11 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 120.77 0.319 . . . . 61.24 110.848 176.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.462 HD13 HG21 ' A' ' 26' ' ' ILE . 50.1 tp -98.73 128.79 45.1 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.436 -0.347 . . . . 42.24 111.423 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.446 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 70.5 mmm -120.44 110.27 16.3 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.393 -0.367 . . . . 71.13 110.996 178.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 32' ' ' ASN . 2.3 pp -143.0 162.19 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 116.177 -0.465 . . . . 75.33 111.789 -175.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -90.79 136.94 32.74 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.747 0.308 . . . . 74.44 111.479 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 m -129.58 142.72 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 120.867 0.365 . . . . 70.4 111.533 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.619 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 18.5 ptpt -68.75 -20.84 64.39 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.632 0.604 . . . . 73.45 112.632 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.619 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.0 p30 -166.19 168.48 15.25 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.1 0.476 . . . . 75.23 111.907 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.2 p -63.61 -32.26 73.68 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.207 -0.451 . . . . 72.15 112.061 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' HB3' ' OD1' ' A' ' 55' ' ' ASN . 21.4 t70 -65.04 -40.97 95.59 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.499 0.666 . . . . 71.55 109.806 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -60.02 -30.99 69.53 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.351 -0.84 . . . . 63.03 111.348 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.401 HD21 ' HG3' ' A' ' 77' ' ' ARG . 51.6 tp -76.47 -48.62 18.96 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.347 -0.388 . . . . 74.04 111.811 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.445 ' HA ' ' HG3' ' A' ' 63' ' ' MET . 5.1 t -68.3 -28.58 67.3 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.979 0.419 . . . . 54.44 111.65 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.8 m -59.0 -40.74 85.83 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.915 0.388 . . . . 74.52 110.997 172.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.79 -34.98 78.39 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.336 -0.227 . . . . 63.13 111.245 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.445 ' HG3' ' HA ' ' A' ' 60' ' ' THR . 50.7 mtt -54.25 -51.78 63.43 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.955 0.407 . . . . 73.12 110.3 175.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 33.1 t70 -52.29 -51.8 56.51 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.9 -0.591 . . . . 61.53 111.474 178.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -53.43 -37.32 62.46 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.757 -0.656 . . . . 70.43 111.82 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.604 HD13 HD11 ' A' ' 10' ' ' ILE . 52.4 mt -81.71 -28.38 33.47 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.049 0.452 . . . . 74.21 111.676 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 63' ' ' MET . 92.1 mtt180 -75.38 -7.47 54.12 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.419 -0.355 . . . . 74.31 111.752 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 2.3 mmmp? -72.28 -8.13 53.19 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.81 0.338 . . . . 54.2 111.734 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 71' ' ' GLY . 46.5 t -92.25 114.94 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 121.145 0.498 . . . . 74.31 111.393 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -56.0 -23.23 31.55 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.958 0.725 . . . . 75.33 112.958 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.447 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -80.88 -17.01 73.65 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 120.893 -0.67 . . . . 53.04 113.921 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.9 t -96.33 126.3 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 117.674 0.737 . . . . 65.34 111.772 -178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.27 -12.61 15.04 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.56 0.578 . . . . 72.4 112.56 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.599 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.8 p -131.72 117.94 19.29 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.324 0.583 . . . . 72.52 111.75 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.9 t -130.27 104.87 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.143 -0.688 . . . . 61.41 109.143 169.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG3' ' HB3' ' A' ' 9' ' ' ARG . 8.2 pt-20 -130.14 162.0 29.83 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.795 0.665 . . . . 72.35 112.795 -167.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.401 ' HG3' HD21 ' A' ' 59' ' ' LEU . 42.3 ttp180 -91.63 130.48 37.43 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.674 -0.693 . . . . 71.43 112.048 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.6 mt -96.15 107.66 20.01 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.266 -0.425 . . . . 72.41 111.332 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.6 t -87.69 -47.74 8.42 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.006 0.432 . . . . 64.34 110.785 176.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -75.34 124.96 28.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.42 -0.355 . . . . 72.21 110.244 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.471 ' HB3' ' HD2' ' A' ' 83' ' ' HIS . 71.1 mt -130.68 152.32 50.17 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.069 0.462 . . . . 74.54 110.775 -173.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.76 -0.43 38.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.372 0.606 . . . . 64.1 111.397 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.471 ' HD2' ' HB3' ' A' ' 81' ' ' LEU . 21.6 m-70 -73.11 -41.24 64.24 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.893 -0.594 . . . . 73.32 111.05 -176.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 85.3 t60 68.02 -16.29 0.19 Allowed 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.983 1.105 . . . . 71.24 113.983 171.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -68.48 102.56 1.47 Allowed 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.834 -0.541 . . . . 54.21 112.196 -176.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -69.83 178.31 2.69 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.712 -0.677 . . . . 74.2 109.673 172.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -49.53 -22.29 1.21 Allowed 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.994 -0.441 . . . . 62.44 111.849 174.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 . . . . . 0 C--O 1.254 1.294 0 CA-C-O 118.95 -0.547 . . . . 41.23 110.906 173.543 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.6 ttm . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 120.835 0.35 . . . . 74.11 111.166 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 59.4 m -99.54 151.84 20.69 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.88 0.371 . . . . 72.33 111.24 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -71.4 179.62 2.87 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 121.223 0.535 . . . . 73.21 112.264 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -154.75 163.68 39.9 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.35 -0.386 . . . . 61.14 111.081 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -86.09 108.48 18.3 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.913 0.387 . . . . 72.13 111.299 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.465 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -97.4 146.16 25.46 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.175 -0.466 . . . . 61.42 111.83 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.47 142.94 14.4 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 121.225 -0.512 . . . . 61.45 113.208 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mt -132.5 146.45 32.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 122.814 0.446 . . . . 55.54 110.458 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -126.83 130.68 50.72 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.177 -0.327 . . . . 73.13 110.877 173.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.564 HD11 HD13 ' B' ' 66' ' ' LEU . 25.9 mt -118.07 116.63 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 116.364 -0.38 . . . . 53.21 111.464 -177.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.602 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 87.0 t -117.43 113.43 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.637 0.732 . . . . 65.11 111.133 175.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.64 169.68 23.71 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 115.378 -0.828 . . . . 41.35 112.176 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -66.68 137.12 56.46 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.334 0.588 . . . . 62.43 111.824 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -74.09 93.4 2.27 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.749 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.621 ' HB2' ' HG3' ' B' ' 18' ' ' MET . 8.6 mmmm -97.1 -177.84 3.99 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.513 0.931 . . . . 64.23 113.513 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -31.37 -44.78 0.07 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 113.556 -1.656 . . . . 63.23 113.146 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.56 28.54 0.29 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 121.028 -0.606 . . . . 71.45 113.279 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.621 ' HG3' ' HB2' ' B' ' 15' ' ' LYS . 38.7 mtp -61.61 -43.98 97.84 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.396 -0.473 . . . . 71.35 112.249 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 47.2 p -55.64 -39.02 70.31 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.976 0.417 . . . . 73.22 111.896 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.535 ' HB2' ' OD1' ' A' ' 32' ' ' ASN . 36.0 t-20 -75.4 -47.06 29.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.934 0.397 . . . . 70.45 111.194 -178.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.554 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 17.1 pt20 -64.52 -38.72 92.0 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.576 -0.284 . . . . 70.3 111.391 -178.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' B' ' 22' ' ' ILE . 9.2 mm -56.89 -53.51 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.722 0.296 . . . . 62.42 111.704 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 9.4 m -72.26 -28.08 62.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.424 0.63 . . . . 54.22 110.428 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.27 -35.8 92.56 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 115.878 -0.601 . . . . 72.32 113.128 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.17 -35.63 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 122.397 -0.472 . . . . 74.15 111.039 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.513 HG21 HD13 ' B' ' 49' ' ' LEU . 62.3 mt -56.12 -42.72 73.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.906 0.384 . . . . 71.32 111.508 175.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 91.8 p -61.53 -21.11 63.97 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.882 0.372 . . . . 71.32 111.431 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -87.63 9.34 21.65 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.252 0.464 . . . . 71.21 112.252 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -78.4 174.99 10.7 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.644 0.735 . . . . 64.45 112.145 178.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.45 13.99 22.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.412 -0.813 . . . . 64.24 111.097 -177.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' THR . . . . . 0.483 HG21 HD13 ' B' ' 51' ' ' ILE . 4.6 t -135.24 169.42 17.5 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.966 0.413 . . . . 65.4 112.01 -174.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASN . . . . . 0.408 ' O ' HG22 ' B' ' 51' ' ' ILE . 49.9 m-80 -97.4 120.01 36.99 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.561 0.578 . . . . 75.23 112.561 -174.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 59.8 mt -63.51 95.98 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 115.88 -0.6 . . . . 74.33 111.359 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -77.5 -28.23 52.08 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.228 0.537 . . . . 73.11 111.306 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 69.3 m -156.43 132.16 9.6 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.859 -0.61 . . . . 64.14 110.447 175.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.778 HD11 ' SG ' ' B' ' 47' ' ' CYS . 10.6 tp -135.33 120.87 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 120.9 0.381 . . . . 75.54 110.321 175.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.567 HG13 HG22 ' A' ' 37' ' ' VAL . 67.7 t -127.9 103.29 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.063 0.459 . . . . 74.02 111.221 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' A' ' 35' ' ' THR . 8.2 tt -110.8 119.44 39.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.462 -0.336 . . . . 74.42 110.149 177.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -123.22 128.14 49.59 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.094 0.473 . . . . 71.33 110.539 172.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -104.48 117.62 34.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 63.21 110.932 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.441 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -134.21 136.53 43.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.032 0.444 . . . . 50.3 111.343 -177.116 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 t70 38.63 69.54 0.26 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.23 1.012 . . . . 75.35 113.365 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.32 -4.7 24.64 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.048 0.779 . . . . 64.21 115.048 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.03 169.3 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 118.065 0.932 . . . . 54.34 111.002 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.546 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 45.0 p90 -140.06 163.08 33.65 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.794 0.33 . . . . 75.42 111.087 173.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.567 ' HB ' HG22 ' B' ' 11' ' ' VAL . 3.7 t -137.23 117.14 13.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.932 0.396 . . . . 73.32 111.136 171.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.778 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.4 t -100.83 113.24 25.99 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.035 -0.53 . . . . 51.43 111.036 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -97.6 107.63 20.17 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.383 -0.371 . . . . 75.22 111.135 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.513 HD13 HG21 ' B' ' 26' ' ' ILE . 52.5 tp -98.67 133.1 43.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.994 0.425 . . . . 63.34 112.042 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.535 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.4 mmm -125.73 111.41 14.89 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.425 -0.352 . . . . 65.34 110.975 175.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.483 HD13 HG21 ' B' ' 31' ' ' THR . 2.6 pp -140.34 159.09 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 120.832 0.349 . . . . 64.43 111.793 -176.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -90.2 137.57 32.24 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.881 0.372 . . . . 70.33 111.567 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 11.8 m -131.32 148.44 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 116.134 -0.484 . . . . 71.33 111.015 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.491 ' H ' ' HD2' ' B' ' 54' ' ' LYS . 0.0 OUTLIER -80.51 -23.18 40.26 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.439 0.638 . . . . 71.3 110.559 177.576 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -154.17 164.09 39.07 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.417 -0.81 . . . . 71.14 111.305 -173.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -72.55 -28.34 62.77 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.057 0.392 . . . . 71.15 112.057 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.48 -42.27 82.3 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.159 0.504 . . . . 64.11 110.764 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.31 -50.8 70.4 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.977 -0.556 . . . . 70.23 110.714 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.465 HD13 ' HB1' ' B' ' 6' ' ' ALA . 49.6 tp -58.94 -46.85 87.0 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.94 -0.573 . . . . 74.23 111.643 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 51.2 p -66.68 -27.63 67.81 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.127 0.417 . . . . 62.3 112.127 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 88.3 m -73.16 -41.4 63.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.873 0.368 . . . . 73.11 110.861 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 86.5 mt -58.28 -36.56 73.49 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.848 0.356 . . . . 72.41 111.333 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.451 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 65.6 mtt -52.29 -53.67 41.2 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.189 -0.46 . . . . 50.43 110.86 175.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -54.99 -51.85 64.93 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.142 -0.481 . . . . 70.13 110.989 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -51.74 -34.42 39.07 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.761 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.564 HD13 HD11 ' B' ' 10' ' ' ILE . 44.2 mt -82.84 -30.0 29.01 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.133 0.492 . . . . 74.05 111.644 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.46 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 97.1 mtt180 -76.45 -7.06 54.3 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.411 0.523 . . . . 74.04 112.411 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -70.48 -19.22 62.96 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.757 0.313 . . . . 72.34 110.84 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.7 t -81.92 107.77 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-O 120.95 0.405 . . . . 72.14 110.11 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -63.29 -13.21 35.9 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.558 0.577 . . . . 64.31 112.558 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.99 -22.83 70.58 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.361 -0.447 . . . . 22.11 113.373 175.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -86.34 137.85 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 122.328 -0.513 . . . . 70.35 110.93 177.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.5 -20.54 11.24 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.477 0.547 . . . . 75.32 112.477 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.602 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.8 p -129.76 124.25 32.99 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.175 0.512 . . . . 74.45 112.021 178.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.46 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 47.9 t -135.35 104.26 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 109.138 -0.69 . . . . 44.03 109.138 171.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -123.27 164.52 18.61 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.935 0.717 . . . . 74.3 112.935 -168.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -94.53 126.32 39.74 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.696 -0.684 . . . . 53.34 111.24 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.29 115.37 22.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.818 0.342 . . . . 74.31 111.283 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 43.3 t -86.1 -62.99 1.39 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.024 0.44 . . . . 65.35 111.396 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -73.82 105.9 5.31 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.947 0.403 . . . . 75.54 110.594 177.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 49.8 mt -94.9 139.8 30.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.295 0.569 . . . . 72.52 112.025 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -84.45 25.64 0.86 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.731 0.777 . . . . 75.13 110.678 178.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -100.27 -16.78 17.6 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.247 -0.888 . . . . 71.4 111.264 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -154.63 134.04 12.63 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.221 -0.445 . . . . 71.44 111.31 -176.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -87.96 -36.79 16.88 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.216 0.532 . . . . 75.23 110.258 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -159.26 149.02 18.77 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.836 -0.62 . . . . 51.25 110.994 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -55.26 146.29 19.49 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.862 0.319 . . . . 74.01 111.862 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 . . . . . 0 C--O 1.252 1.212 0 CA-C-O 118.981 -0.533 . . . . 72.42 112.083 177.643 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 120.813 0.34 . . . . 60.11 110.827 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -110.26 162.3 14.76 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.291 0.567 . . . . 62.12 112.02 -178.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.425 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 1.7 p30 -139.06 -179.97 6.16 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.707 -0.679 . . . . 50.54 110.84 177.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.401 ' HZ ' ' HA ' ' A' ' 56' ' ' THR . 54.0 p90 -152.63 155.29 37.05 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.156 0.503 . . . . 73.51 110.873 173.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 tp -79.99 105.18 11.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.445 0.64 . . . . 74.25 110.806 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.54 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -93.88 129.95 40.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.504 -0.771 . . . . 51.42 111.898 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' HA3' ' HB2' ' A' ' 78' ' ' LEU . . . -111.16 149.3 17.89 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 121.289 -0.481 . . . . 45.2 112.725 177.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.632 HD12 HD23 ' A' ' 49' ' ' LEU . 38.2 mt -134.3 137.93 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.853 0.326 . . . . 55.43 111.164 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.484 ' HB2' HD21 ' A' ' 78' ' ' LEU . 33.0 ttt180 -114.14 122.68 47.58 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.713 -0.221 . . . . 73.42 110.899 176.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.708 HD11 HD13 ' A' ' 66' ' ' LEU . 24.4 mt -118.46 116.85 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 116.682 -0.235 . . . . 65.22 111.114 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.532 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 87.9 t -119.15 118.1 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 121.518 0.675 . . . . 53.21 111.668 176.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.26 165.61 25.97 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 115.488 -0.778 . . . . 54.11 112.203 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -71.68 138.79 48.86 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 121.206 0.527 . . . . 73.14 112.362 -177.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.1 90.26 0.09 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.121 -0.49 . . . . 64.33 111.872 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.639 ' HB2' ' HG3' ' A' ' 18' ' ' MET . 10.5 mmmm -96.53 -177.52 3.96 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.712 0.768 . . . . 74.35 112.14 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -42.82 -29.49 0.32 Allowed 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.387 1.254 . . . . 74.3 114.387 178.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.12 42.28 0.16 Allowed Glycine 0 CA--C 1.529 0.962 0 C-N-CA 120.198 -1.001 . . . . 41.41 114.341 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.639 ' HG3' ' HB2' ' A' ' 15' ' ' LYS . 45.5 mtp -68.62 -37.29 79.64 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.928 -0.748 . . . . 73.21 112.401 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 p -60.81 -35.93 77.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.778 0.323 . . . . 70.44 111.328 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -69.02 -48.73 62.26 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.139 0.495 . . . . 75.22 110.72 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.514 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.8 pt20 -66.03 -36.26 82.76 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.074 -0.512 . . . . 72.41 111.552 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.443 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 11.4 mm -63.07 -52.96 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 111.703 0.26 . . . . 74.1 111.703 -178.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.5 m -71.4 -27.03 63.03 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.157 0.503 . . . . 75.25 110.205 176.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.99 -44.35 97.29 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-N 116.117 -0.492 . . . . 50.32 112.568 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 21' ' ' GLN . 88.7 t -62.86 -34.62 67.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 122.24 -0.565 . . . . 73.24 110.445 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.462 HG22 HD11 ' A' ' 33' ' ' ILE . 73.7 mt -65.93 -39.04 83.5 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.084 -0.507 . . . . 73.42 111.49 175.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.6 p -68.79 -20.56 64.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.269 0.557 . . . . 72.25 110.74 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HD2' ' HA ' ' A' ' 25' ' ' VAL . 62.7 mttm -73.58 -16.66 61.24 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.993 -0.548 . . . . 61.31 111.796 174.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -66.06 147.85 52.71 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.388 0.613 . . . . 65.52 112.269 -178.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -72.48 -22.88 60.99 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.728 -0.669 . . . . 72.14 111.361 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.9 t -83.16 161.36 21.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.357 -0.383 . . . . 72.12 110.769 175.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.627 ' HA ' HD22 ' B' ' 20' ' ' ASN . 2.7 m120 -106.97 137.25 45.39 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.377 0.608 . . . . 64.11 112.44 -178.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.462 HD11 HG22 ' A' ' 26' ' ' ILE . 3.0 mp -61.7 109.26 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.203 -0.908 . . . . 64.22 111.502 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 34' ' ' ARG . 10.7 mmt180 -82.6 -37.75 24.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.613 0.72 . . . . 73.32 109.904 175.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.571 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 13.3 m -155.49 145.34 21.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.159 -0.928 . . . . 54.42 109.417 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.404 HD12 HD13 ' A' ' 49' ' ' LEU . 18.1 tt -154.13 133.62 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.199 0.523 . . . . 65.01 111.996 174.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.441 HG13 HG22 ' B' ' 37' ' ' VAL . 60.4 t -132.87 104.58 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.904 -0.589 . . . . 62.44 111.022 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.646 ' HB3' HG22 ' B' ' 36' ' ' ILE . 6.5 tt -105.36 116.59 32.2 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.209 -0.663 . . . . 53.14 109.209 175.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -132.18 125.38 31.06 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.234 0.54 . . . . 73.15 111.562 177.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.575 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.31 135.51 41.64 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.714 -0.675 . . . . 74.14 111.845 -178.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.653 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -113.59 -137.08 0.37 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.626 -0.715 . . . . 62.32 110.814 -178.699 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.48 87.0 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.6 0.593 . . . . 75.25 112.6 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.93 2.82 48.59 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 114.754 0.662 . . . . 41.44 114.754 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.602 ' HB ' ' HE3' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -136.87 161.01 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 117.535 0.668 . . . . 74.11 110.617 179.11 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 42.3 p90 -131.61 150.97 51.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.719 0.295 . . . . 74.23 111.205 176.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 3.2 t -124.17 113.65 18.61 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.041 0.448 . . . . 73.43 110.54 172.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.421 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 52.4 t -93.5 105.24 17.32 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.103 -0.499 . . . . 45.2 111.285 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -89.11 105.27 17.68 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.556 -0.293 . . . . 51.33 110.858 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.632 HD23 HD12 ' A' ' 8' ' ' ILE . 55.6 tp -99.04 134.37 41.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.767 0.318 . . . . 75.32 111.841 -179.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.571 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 67.5 mmm -127.08 112.92 15.75 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.781 0.324 . . . . 74.01 111.318 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 32' ' ' ASN . 2.5 pp -141.88 161.72 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-N 116.421 -0.354 . . . . 70.51 111.427 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -95.56 133.42 39.61 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.127 0.489 . . . . 73.32 112.036 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.6 m -131.3 142.98 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 116.081 -0.508 . . . . 74.03 111.006 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.635 ' H ' ' HD3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -86.41 -12.24 49.71 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.759 0.314 . . . . 74.01 111.84 174.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.52 ' HB2' ' HB3' ' A' ' 58' ' ' LYS . 11.9 m120 -133.14 140.94 47.88 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 122.02 -0.425 . . . . 61.34 111.684 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.401 ' HA ' ' HZ ' ' A' ' 4' ' ' PHE . 69.8 p -64.13 -39.13 93.37 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.469 0.652 . . . . 75.25 110.399 171.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.71 -41.73 95.8 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.33 -0.85 . . . . 64.1 110.484 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 55' ' ' ASN . 40.5 tptt -57.34 -33.15 67.45 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.271 -0.877 . . . . 74.33 111.322 175.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.54 HD13 ' HB1' ' A' ' 6' ' ' ALA . 40.4 tp -72.7 -47.82 43.97 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 120.699 0.285 . . . . 62.32 111.694 175.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -58.53 -32.98 69.37 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.734 0.302 . . . . 63.33 110.963 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.547 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 91.6 m -56.04 -45.56 79.16 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.212 -0.449 . . . . 53.43 111.248 175.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.37 -48.39 78.11 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.384 -0.371 . . . . 74.22 111.594 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.496 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 75.9 mtm -57.83 -39.16 76.99 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.757 0.313 . . . . 73.34 111.115 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.45 -45.95 90.13 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.963 0.411 . . . . 65.24 110.929 174.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 61' ' ' THR . 29.8 mtpp -57.43 -36.86 71.9 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.082 -0.508 . . . . 71.22 111.498 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.708 HD13 HD11 ' A' ' 10' ' ' ILE . 42.4 mt -77.22 -27.96 53.59 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.161 -0.472 . . . . 54.04 111.9 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 63' ' ' MET . 98.4 mtt180 -71.47 -7.28 46.41 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.277 0.473 . . . . 62.14 112.277 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -72.69 -10.06 59.35 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 111.868 0.322 . . . . 75.31 111.868 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.2 t -85.52 113.53 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.174 0.511 . . . . 74.23 111.735 -177.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -54.97 -30.57 59.42 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.084 0.772 . . . . 74.43 113.084 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.27 -17.27 79.64 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.103 -0.57 . . . . 73.3 113.989 -177.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 99.6 t -86.58 146.7 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 117.294 0.547 . . . . 64.35 111.304 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -125.57 -15.38 6.09 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.613 0.598 . . . . 74.52 112.613 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.532 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 2.9 p -130.97 122.98 27.84 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.12 0.486 . . . . 60.24 111.618 175.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.412 ' HB ' ' HE ' ' A' ' 67' ' ' ARG . 41.0 t -137.18 104.91 3.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 109.453 -0.573 . . . . 72.41 109.453 172.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.409 ' HG3' ' HB3' ' A' ' 9' ' ' ARG . 10.9 pt-20 -134.87 163.35 30.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.202 -0.454 . . . . 60.1 111.862 -171.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -85.01 145.0 27.92 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.329 0.585 . . . . 74.03 112.22 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 9' ' ' ARG . 93.6 mt -100.54 111.53 23.79 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.923 -0.581 . . . . 75.54 110.537 172.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.6 p -92.81 -58.76 2.24 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.051 0.453 . . . . 54.21 111.86 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -69.73 100.66 1.53 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.287 0.565 . . . . 74.4 111.908 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.6 mt -112.93 158.75 19.83 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.069 -0.514 . . . . 74.43 111.571 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.92 11.43 22.28 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.09 0.404 . . . . 73.05 112.09 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -71.2 130.73 42.19 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.833 0.349 . . . . 75.35 111.653 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -106.48 142.36 36.27 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.782 0.325 . . . . 74.42 111.577 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -93.19 -5.29 50.37 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.968 0.413 . . . . 55.12 111.07 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -60.03 111.41 1.49 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.78 0.659 . . . . 64.14 112.78 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -101.33 164.37 11.81 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.584 -0.735 . . . . 74.35 109.863 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.593 -0.718 . . . . 75.24 110.996 174.21 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 120.681 0.277 . . . . 71.51 111.055 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.6 t -93.52 155.0 17.58 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.371 -0.377 . . . . 72.23 111.831 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.506 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 2.1 p-10 -72.67 134.75 45.22 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.124 0.488 . . . . 72.15 112.043 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.404 ' HE1' HH12 ' B' ' 77' ' ' ARG . 52.0 p90 -131.4 158.63 40.26 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.608 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 50.5 tp -77.55 105.14 8.51 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.216 0.531 . . . . 62.45 111.067 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.17 133.28 47.29 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.069 -0.514 . . . . 72.5 111.831 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.02 144.26 15.86 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.018 -0.61 . . . . 61.14 113.095 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.499 HD12 HD23 ' B' ' 49' ' ' LEU . 37.3 mt -125.93 142.01 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 122.451 0.3 . . . . 63.14 110.401 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.499 ' HB3' ' HG3' ' B' ' 76' ' ' GLU . 0.0 OUTLIER -120.64 118.24 29.63 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.907 0.384 . . . . 75.34 110.252 -177.163 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.546 ' O ' ' HA ' ' B' ' 46' ' ' THR . 40.3 mt -115.65 117.61 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 116.344 -0.389 . . . . 72.42 111.544 -176.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.553 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 53.6 t -117.55 109.89 29.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.453 0.644 . . . . 74.4 110.605 172.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.86 161.58 23.78 Favored Glycine 0 CA--C 1.522 0.49 0 CA-C-N 115.575 -0.738 . . . . 51.45 112.258 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -69.68 143.3 53.2 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.391 0.615 . . . . 73.44 112.205 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.35 91.02 0.53 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.952 -0.567 . . . . 74.03 111.435 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.56 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 23.8 mmtm -89.69 -178.94 5.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.607 0.718 . . . . 62.32 111.957 170.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -66.79 -21.29 66.05 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.953 -1.021 . . . . 74.35 112.288 178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.453 ' HA2' ' ND2' ' A' ' 32' ' ' ASN . . . -151.86 26.42 0.92 Allowed Glycine 0 CA--C 1.529 0.943 0 C-N-CA 120.559 -0.829 . . . . 60.43 114.28 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.56 ' HG2' ' HB2' ' B' ' 15' ' ' LYS . 38.7 mmm -74.33 -50.19 19.82 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.942 -0.74 . . . . 74.34 112.267 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.0 p -55.2 -39.7 69.93 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.941 0.401 . . . . 55.5 111.777 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.627 HD22 ' HA ' ' A' ' 32' ' ' ASN . 9.8 t-20 -76.04 -44.81 37.43 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.883 0.373 . . . . 73.25 110.957 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 7.9 pt20 -65.77 -34.63 78.61 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.681 0.277 . . . . 63.41 111.66 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' B' ' 22' ' ' ILE . 9.4 mm -64.96 -53.56 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 111.916 0.339 . . . . 71.34 111.916 -178.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.6 m -70.88 -27.3 63.72 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.099 0.476 . . . . 64.22 110.418 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.486 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.41 -52.46 53.07 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 116.071 -0.513 . . . . 75.03 112.303 171.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 50.1 t -56.38 -40.47 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.041 0.448 . . . . 64.42 110.967 174.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.401 HG21 HD13 ' B' ' 49' ' ' LEU . 71.1 mt -59.53 -46.36 93.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 115.997 -0.547 . . . . 72.23 112.193 177.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 89.7 p -63.01 -22.26 66.73 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 120.911 0.386 . . . . 51.3 111.544 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.556 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 7.6 mtpm? -73.32 -13.8 61.18 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.279 0.474 . . . . 65.54 112.279 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -66.47 154.78 39.36 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.599 0.714 . . . . 75.23 112.741 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -67.65 -37.12 81.97 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.101 -0.954 . . . . 42.03 111.733 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.5 t -74.77 151.14 39.15 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.966 -0.561 . . . . 64.43 111.79 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -83.22 123.49 29.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.836 0.35 . . . . 42.12 110.97 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.504 ' HA ' HG22 ' B' ' 51' ' ' ILE . 67.2 mt -66.15 95.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.088 0.47 . . . . 71.12 111.099 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.57 -31.76 65.49 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.974 0.416 . . . . 61.51 110.747 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 53.4 m -159.83 139.06 11.03 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.051 -0.522 . . . . 64.33 110.964 175.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.646 HG22 ' HB3' ' A' ' 38' ' ' LEU . 10.6 tp -138.19 131.75 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 120.735 0.302 . . . . 53.23 110.51 174.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.441 HG22 HG13 ' A' ' 37' ' ' VAL . 94.2 t -131.27 108.5 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-O 120.762 0.315 . . . . 72.23 111.455 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tt -114.42 116.18 28.48 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.812 0.339 . . . . 75.04 110.305 177.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 5.0 p-10 -135.02 128.37 32.21 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.041 0.448 . . . . 74.32 111.467 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.524 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -108.86 134.95 50.86 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.105 0.479 . . . . 72.22 111.897 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.39 152.92 33.76 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.013 -0.54 . . . . 74.23 110.677 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 57.8 20.66 6.72 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.948 0.722 . . . . 63.33 112.948 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.83 11.12 65.99 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 120.947 -0.644 . . . . 63.13 113.394 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mt -134.63 158.5 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 122.716 0.406 . . . . 74.32 110.163 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.524 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 39.4 p90 -128.5 143.01 50.91 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.888 -0.507 . . . . 72.31 111.213 178.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.546 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.1 t -118.84 99.94 7.07 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.315 0.579 . . . . 60.44 111.431 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.604 ' SG ' HD11 ' B' ' 36' ' ' ILE . 44.2 t -95.18 119.18 33.24 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.31 -0.404 . . . . 71.52 111.28 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.474 ' O ' HD12 ' B' ' 36' ' ' ILE . 52.1 m-20 -103.23 116.34 32.28 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.679 0.276 . . . . 61.13 110.808 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.499 HD23 HD12 ' B' ' 8' ' ' ILE . 42.6 tp -98.83 125.65 44.26 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.062 0.458 . . . . 65.14 111.675 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.545 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 58.8 mmm -117.15 107.36 14.38 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.305 -0.407 . . . . 63.12 111.038 178.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -140.03 177.03 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.235 -0.439 . . . . 74.32 111.829 -176.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -108.52 129.65 55.29 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.084 0.469 . . . . 73.11 111.863 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 15.3 m -124.79 142.8 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 116.299 -0.41 . . . . 72.21 111.402 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.507 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 19.0 ptpt -70.18 -29.1 65.89 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.249 0.462 . . . . 74.42 112.249 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.507 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 12.3 p30 -156.74 176.81 12.25 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.121 0.486 . . . . 60.23 111.631 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 69.7 p -72.24 -33.37 67.49 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.441 0.534 . . . . 64.53 112.441 -176.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.32 -37.41 87.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.677 0.751 . . . . 61.41 110.066 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -57.87 -43.62 86.11 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.24 -0.891 . . . . 61.53 110.902 172.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.433 ' CD2' HH11 ' B' ' 77' ' ' ARG . 64.4 tp -65.77 -47.35 75.48 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.189 -0.459 . . . . 65.32 111.829 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 67.5 p -61.61 -27.46 68.67 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 111.723 0.268 . . . . 75.11 111.723 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 84.9 m -60.27 -48.85 79.98 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.094 0.473 . . . . 73.32 111.02 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 68.8 mt -58.54 -37.61 76.05 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.241 -0.436 . . . . 75.25 111.005 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.449 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 62.9 mtt -53.94 -50.25 66.87 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.27 -0.423 . . . . 63.44 110.797 176.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.517 ' O ' ' HE3' ' B' ' 68' ' ' LYS . 18.0 t70 -57.07 -47.67 80.45 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.493 -0.321 . . . . 72.01 110.768 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -53.01 -41.52 64.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.105 0.478 . . . . 74.34 111.887 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.52 HD13 HD11 ' B' ' 10' ' ' ILE . 43.1 mt -76.0 -26.49 56.75 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.065 -0.516 . . . . 71.4 111.502 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.3 mtt180 -78.8 -7.86 58.24 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.375 -0.375 . . . . 72.12 111.953 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' B' ' 68' ' ' LYS . 9.4 mmpt? -72.12 -25.96 61.94 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.864 0.364 . . . . 74.34 111.444 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.518 HG12 ' H ' ' B' ' 71' ' ' GLY . 46.1 t -78.7 125.34 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 121.42 0.629 . . . . 72.42 112.103 -174.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -56.53 -31.7 64.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.436 -0.802 . . . . 72.31 112.685 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.518 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -73.11 -24.32 75.95 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 114.523 0.569 . . . . 64.24 114.523 -177.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.8 139.78 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 117.871 0.835 . . . . 74.21 111.688 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.418 ' CE2' HG12 ' B' ' 11' ' ' VAL . 0.5 OUTLIER -121.0 -17.62 7.76 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.457 0.539 . . . . 75.14 112.457 176.877 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.553 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 4.2 p -128.98 119.69 24.75 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.016 0.436 . . . . 65.14 112.035 176.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.421 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 47.5 t -132.05 105.29 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.825 -0.435 . . . . 52.53 109.825 172.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.499 ' HG3' ' HB3' ' B' ' 9' ' ' ARG . 7.8 pt-20 -133.49 165.87 23.88 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.084 -0.507 . . . . 63.54 112.027 -170.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.433 HH11 ' CD2' ' B' ' 59' ' ' LEU . 22.1 ttt85 -91.07 130.63 36.96 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.321 0.489 . . . . 65.1 112.321 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.424 ' HG ' ' HB2' ' B' ' 9' ' ' ARG . 96.9 mt -91.18 106.39 18.47 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.167 -0.47 . . . . 54.55 110.482 173.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 47.1 t -89.75 -37.26 14.66 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.011 0.434 . . . . 62.23 111.367 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -89.1 97.73 11.36 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.999 0.428 . . . . 70.11 110.506 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 mt -95.89 156.28 16.4 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.745 0.646 . . . . 62.11 112.745 -172.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.35 21.29 4.56 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.581 -0.736 . . . . 71.44 110.301 172.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -104.59 73.27 1.08 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.798 -0.637 . . . . 74.42 111.777 -174.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.82 133.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.023 0.44 . . . . 61.25 111.369 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -126.37 138.91 53.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 64.34 110.578 176.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -65.61 94.06 0.18 Allowed 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.981 0.42 . . . . 73.31 111.607 -175.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -98.32 83.74 3.11 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.055 0.455 . . . . 71.41 111.008 176.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 . . . . . 0 C--O 1.25 1.125 0 CA-C-N 115.546 -0.752 . . . . 75.31 112.13 -179.168 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.3 mtm . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 120.677 0.275 . . . . 72.34 111.217 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.6 p -53.83 113.67 1.29 Allowed 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.226 0.454 . . . . 75.11 112.226 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.495 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 8.4 p-10 -71.81 120.03 16.82 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.197 0.522 . . . . 74.22 111.157 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -125.96 154.74 42.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.958 0.408 . . . . 73.54 110.173 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.5 tp -78.81 103.01 8.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.555 0.693 . . . . 65.1 110.772 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.479 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -94.0 132.71 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.473 -0.785 . . . . 72.43 111.697 -178.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.24 146.06 17.69 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.176 -0.535 . . . . 62.54 112.771 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.421 HD12 HD23 ' A' ' 49' ' ' LEU . 55.2 mt -132.58 132.61 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 122.675 -0.309 . . . . 71.1 110.88 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.525 ' HB2' HD21 ' A' ' 78' ' ' LEU . 56.4 ttt180 -109.45 124.39 50.96 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.958 0.409 . . . . 74.55 110.837 174.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.577 ' HB ' ' HB3' ' A' ' 47' ' ' CYS . 37.9 mt -113.38 116.82 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.896 -0.593 . . . . 72.22 110.728 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.625 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 59.9 t -118.68 109.9 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 121.782 0.801 . . . . 61.32 111.062 175.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.33 164.28 23.88 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.213 -0.903 . . . . 71.44 111.813 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.98 140.16 48.98 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.398 0.618 . . . . 74.45 112.477 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -71.45 103.74 3.02 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.735 -0.666 . . . . 73.02 110.644 177.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 18' ' ' MET . 0.0 OUTLIER -163.36 147.5 10.81 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.361 -0.381 . . . . 72.44 111.39 -178.663 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 52.37 19.26 1.09 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.881 1.067 . . . . 54.51 113.881 168.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.54 34.98 27.04 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 120.88 -0.676 . . . . 74.43 113.192 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.515 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 52.0 mmm -55.89 -49.04 74.49 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.804 0.441 . . . . 61.02 112.017 178.257 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.9 p -50.58 -37.71 41.37 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.118 0.485 . . . . 63.21 111.735 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.566 ' HA ' HD12 ' B' ' 33' ' ' ILE . 7.0 t30 -75.46 -46.8 30.37 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.987 -0.551 . . . . 52.23 111.039 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.515 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.5 pt20 -66.15 -38.19 87.51 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.854 0.359 . . . . 74.21 111.299 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 22' ' ' ILE . 13.8 mm -63.62 -53.81 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 112.241 0.46 . . . . 74.43 112.241 -176.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.4 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.0 m -68.8 -27.57 65.98 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.367 0.603 . . . . 72.43 110.284 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.95 -46.61 93.74 Favored Glycine 0 CA--C 1.528 0.867 0 CA-C-N 115.803 -0.635 . . . . 64.23 112.608 173.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 21' ' ' GLN . 95.5 t -64.3 -37.21 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 122.569 -0.371 . . . . 64.5 111.299 176.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.451 HG21 HD13 ' A' ' 49' ' ' LEU . 68.0 mt -55.21 -44.68 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 120.998 0.428 . . . . 75.1 112.034 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' B' ' 20' ' ' ASN . 86.3 p -61.97 -21.72 65.05 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.168 -0.332 . . . . 73.25 111.561 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -85.03 11.43 9.58 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.071 0.397 . . . . 74.23 112.071 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -82.41 162.25 22.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.362 0.601 . . . . 71.11 112.401 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.77 29.6 0.89 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.801 -0.636 . . . . 71.43 111.518 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 t -138.21 149.03 45.41 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.952 0.406 . . . . 63.44 111.418 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -80.61 123.01 27.79 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.33 -0.396 . . . . 74.13 111.344 -175.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.524 ' HA ' HG22 ' A' ' 51' ' ' ILE . 72.5 mt -68.61 104.48 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.819 0.342 . . . . 55.42 111.496 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -31.18 22.04 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.845 0.355 . . . . 74.31 110.776 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.634 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 34.5 m -156.93 133.38 9.93 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.491 -0.322 . . . . 43.2 111.688 175.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.699 HD11 ' SG ' ' A' ' 47' ' ' CYS . 9.8 tp -135.53 130.05 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 110.177 -0.305 . . . . 74.11 110.177 172.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.7 t -136.0 104.75 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 120.971 0.415 . . . . 73.33 111.18 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.641 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.8 tt -113.92 133.03 55.71 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.59 -0.277 . . . . 72.21 110.474 178.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -142.29 138.53 31.41 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.795 0.331 . . . . 71.22 110.976 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -101.54 118.6 37.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.086 0.469 . . . . 61.41 111.591 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.09 157.85 43.74 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.2 -0.455 . . . . 61.23 110.604 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 64.23 13.36 7.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.918 0.487 . . . . 44.02 112.119 -177.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.83 11.11 77.63 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.995 -0.622 . . . . 55.52 112.466 -174.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -131.95 173.0 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.297 -0.631 . . . . 70.45 109.297 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.495 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 40.3 p90 -131.02 146.94 52.56 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.72 -0.612 . . . . 75.14 111.166 173.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.3 t -121.33 104.74 9.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.15 0.5 . . . . 75.23 110.914 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.699 ' SG ' HD11 ' A' ' 36' ' ' ILE . 46.2 t -90.83 114.39 26.79 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.093 -0.503 . . . . 53.11 111.189 178.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.421 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.5 m-20 -100.34 105.42 16.94 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.777 0.323 . . . . 65.41 111.069 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 26' ' ' ILE . 53.2 tp -98.24 135.7 39.49 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.012 0.434 . . . . 70.15 111.873 -178.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.588 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 57.0 mmm -129.9 110.92 12.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 116.25 -0.432 . . . . 71.33 110.923 177.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -141.87 159.48 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 116.179 -0.464 . . . . 73.22 111.732 -177.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -92.7 130.97 38.16 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.085 0.469 . . . . 43.24 111.39 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 22.4 m -120.68 158.56 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.212 0.53 . . . . 63.21 111.578 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.531 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.0 ptmt -88.13 -7.83 56.34 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.138 -0.483 . . . . 73.23 112.224 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.531 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.8 p30 -177.82 173.07 1.62 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.873 0.469 . . . . 74.42 111.076 175.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -69.76 -39.81 76.47 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.525 0.565 . . . . 71.31 112.525 -176.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.16 -35.37 80.56 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.803 0.811 . . . . 63.44 110.076 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 19.4 tptp -57.93 -33.06 68.4 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.14 -0.937 . . . . 73.52 111.023 173.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.479 HD13 ' HB1' ' A' ' 6' ' ' ALA . 58.9 tp -77.42 -47.99 18.35 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.08 -0.509 . . . . 75.44 111.474 176.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.0 p -60.67 -28.39 68.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.948 0.404 . . . . 73.41 111.771 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.7 m -61.78 -41.58 97.9 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.021 0.438 . . . . 74.32 110.951 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.4 -36.53 82.61 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.389 -0.369 . . . . 74.5 110.895 177.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 59.6 mtt -57.11 -48.23 79.15 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.011 0.434 . . . . 61.41 110.694 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -58.98 -45.66 90.03 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.816 -0.629 . . . . 64.13 111.314 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -55.89 -46.64 78.3 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.03 -0.532 . . . . 62.1 111.651 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.577 HD13 HD11 ' A' ' 10' ' ' ILE . 41.6 mt -72.3 -28.29 63.0 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.267 0.556 . . . . 64.33 111.495 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -74.83 -7.42 53.37 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.85 -0.613 . . . . 75.13 112.076 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -71.62 -17.13 62.29 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.092 -0.38 . . . . 71.05 111.945 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 71' ' ' GLY . 59.9 t -84.09 119.68 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.828 0.347 . . . . 70.4 111.611 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -56.64 -32.13 65.04 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.029 0.381 . . . . 71.35 112.029 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.411 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -71.01 -18.54 76.44 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.365 -0.445 . . . . 71.24 114.116 -177.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.75 120.78 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 117.226 0.513 . . . . 65.22 111.244 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -106.32 -5.85 18.78 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.535 0.569 . . . . 61.34 112.535 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.625 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 8.4 p -137.51 120.65 16.73 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.018 0.437 . . . . 74.32 111.75 174.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.3 t -127.75 103.96 11.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.293 -0.632 . . . . 72.43 109.293 170.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -130.12 167.18 18.75 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.048 0.451 . . . . 71.22 112.111 -172.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -94.87 139.79 30.83 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.278 0.561 . . . . 72.42 111.518 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 9' ' ' ARG . 94.7 mt -89.04 102.05 14.7 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.929 -0.578 . . . . 74.33 110.131 171.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.1 p -77.95 -63.43 1.39 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.57 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.67 102.94 5.55 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.11 0.481 . . . . 74.13 111.129 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.6 mt -92.33 150.61 20.74 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.149 0.5 . . . . 62.33 111.943 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -110.77 33.75 4.39 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.949 -0.568 . . . . 74.34 111.41 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -87.56 79.82 8.21 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.169 0.509 . . . . 75.42 111.763 -176.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -134.87 124.53 25.17 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.897 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -56.81 113.38 1.63 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 111.953 0.353 . . . . 63.55 111.953 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -69.17 78.67 0.35 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.271 0.557 . . . . 61.41 111.009 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -89.12 3.98 50.01 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.974 -0.557 . . . . 73.51 112.092 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.254 1.315 0 CA-C-O 118.651 -0.69 . . . . 63.31 111.137 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.7 tpp . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.774 0.321 . . . . 63.4 111.051 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 64.2 m -80.11 137.66 36.78 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.618 -0.265 . . . . 71.14 111.233 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.512 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 4.8 m-20 -67.18 119.96 12.96 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.905 0.383 . . . . 55.2 111.212 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -117.47 157.27 26.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 65.41 109.934 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.432 HD21 ' CE1' ' B' ' 83' ' ' HIS . 43.1 tp -75.53 102.59 5.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.053 0.454 . . . . 73.02 110.84 178.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.0 158.39 15.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.099 0.476 . . . . 62.11 111.306 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.37 153.52 21.99 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.977 -0.63 . . . . 73.32 112.741 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 57.9 mt -137.45 140.85 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 122.587 0.355 . . . . 71.24 110.646 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.552 ' HB2' HD21 ' B' ' 78' ' ' LEU . 66.0 ttt180 -118.2 123.26 45.05 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.942 0.401 . . . . 70.42 110.77 175.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.633 HD11 HD13 ' B' ' 66' ' ' LEU . 48.7 mt -113.14 116.42 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.045 -0.525 . . . . 75.33 110.847 -179.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.618 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 92.2 t -114.38 116.86 53.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.473 0.654 . . . . 75.42 110.882 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.05 167.91 25.52 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.632 -0.713 . . . . 44.32 112.935 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.23 121.43 12.54 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 121.35 0.595 . . . . 72.03 112.229 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -68.78 92.33 0.48 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.146 0.498 . . . . 64.33 111.747 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -112.25 168.49 9.58 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.918 0.866 . . . . 75.21 113.32 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -75.47 41.19 0.18 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.34 -1.3 . . . . 75.34 112.892 -175.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.13 -27.71 0.06 OUTLIER Glycine 0 CA--C 1.525 0.68 0 CA-C-N 115.849 -0.614 . . . . 74.41 112.094 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.463 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 58.1 mmm -56.64 -50.86 70.8 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.291 0.478 . . . . 61.44 112.291 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 70.0 p -60.18 -31.99 70.64 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.904 0.383 . . . . 75.11 111.456 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.432 ' ND2' HG13 ' A' ' 33' ' ' ILE . 14.4 m120 -74.27 -48.2 30.16 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.16 0.505 . . . . 73.24 110.878 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.488 ' O ' HG23 ' B' ' 25' ' ' VAL . 9.7 pt20 -65.39 -36.05 82.81 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.086 -0.506 . . . . 51.3 111.621 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.412 HG13 ' HZ ' ' B' ' 45' ' ' PHE . 10.9 mm -62.53 -53.58 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 112.333 0.494 . . . . 62.14 112.333 -176.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 3.5 m -70.95 -27.41 63.72 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.39 -0.524 . . . . 72.01 110.261 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.422 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.18 -48.26 86.8 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-N 116.142 -0.481 . . . . 74.24 112.562 173.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 21' ' ' GLN . 94.5 t -59.57 -38.16 74.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 122.464 -0.433 . . . . 72.4 110.993 175.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.431 HG21 HD13 ' B' ' 49' ' ' LEU . 72.0 mt -60.02 -41.58 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 116.279 -0.419 . . . . 75.23 112.003 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 52.3 p -65.21 -20.86 66.63 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.992 0.425 . . . . 75.22 111.334 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 28.0 mtpp -76.84 -8.24 56.96 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.186 0.439 . . . . 74.35 112.186 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 22.8 m-30 -68.92 179.26 1.88 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.517 0.675 . . . . 71.21 112.187 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -109.1 5.07 23.7 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.781 -0.645 . . . . 74.22 112.158 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.0 t -106.73 166.88 10.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.593 0.59 . . . . 53.2 112.593 -174.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -94.85 122.18 37.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.928 -0.578 . . . . 63.22 111.947 -176.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 20' ' ' ASN . 60.4 mt -76.14 126.6 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.092 -0.504 . . . . 74.0 111.847 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' B' ' 34' ' ' ARG . 35.1 mmt180 -105.1 -28.93 10.72 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.041 0.448 . . . . 74.5 111.018 174.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.53 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 95.5 m -156.92 132.87 9.57 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.143 -0.48 . . . . 73.42 111.425 176.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.641 HG22 ' HB3' ' A' ' 38' ' ' LEU . 10.6 tp -131.94 132.48 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.917 0.389 . . . . 43.13 110.378 172.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 97.8 t -126.29 141.06 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.255 -0.43 . . . . 63.21 110.663 178.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.634 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.0 tt -145.09 116.61 8.08 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.576 -0.527 . . . . 70.12 109.576 171.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' B' ' 39' ' ' ASN . 3.6 p-10 -135.76 127.22 28.62 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.088 0.47 . . . . 75.31 111.542 178.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.551 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -102.78 133.92 47.03 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.212 0.53 . . . . 52.44 112.165 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -151.56 147.4 26.75 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.729 -0.668 . . . . 74.33 110.453 176.477 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.4 t70 64.1 20.34 12.15 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.164 0.507 . . . . 63.32 111.914 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.79 6.76 82.32 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.841 -0.695 . . . . 33.22 113.067 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mt -125.43 161.7 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 109.69 -0.485 . . . . 71.12 109.69 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.551 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 36.7 p90 -131.56 145.61 51.81 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.981 -0.449 . . . . 73.54 111.23 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.3 t -120.19 108.17 13.9 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.084 0.469 . . . . 63.11 111.446 176.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 48.4 t -96.58 116.46 29.14 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.41 -0.359 . . . . 63.3 111.313 177.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.407 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 2.5 m-20 -104.8 113.3 26.81 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.973 0.416 . . . . 73.33 111.205 -177.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.431 HD13 HG21 ' B' ' 26' ' ' ILE . 58.4 tp -98.3 134.21 41.63 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.228 -0.442 . . . . 62.24 111.844 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.49 ' HE3' ' HB3' ' B' ' 50' ' ' MET . 67.6 mmm -124.03 110.55 14.9 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.812 0.339 . . . . 41.44 111.121 176.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -142.31 158.82 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 121.093 0.473 . . . . 72.2 111.993 -176.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -92.36 135.8 33.73 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 111.837 0.31 . . . . 75.44 111.837 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.512 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 3.6 m -136.61 146.79 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.723 0.297 . . . . 72.53 111.161 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -73.18 -17.84 61.33 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.578 0.584 . . . . 64.43 112.578 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -168.3 155.56 7.89 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.212 0.449 . . . . 74.25 112.212 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -58.6 -25.03 62.21 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.851 0.686 . . . . 72.04 112.851 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.21 -41.0 92.11 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.755 0.788 . . . . 72.23 110.639 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -61.74 -38.94 89.8 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.995 -1.002 . . . . 71.23 111.123 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' B' ' 77' ' ' ARG . 57.0 tp -68.4 -45.24 73.22 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.059 -0.519 . . . . 74.23 111.583 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 71.9 p -65.41 -34.04 77.36 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.011 0.434 . . . . 74.12 111.682 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 85.2 m -62.56 -40.5 97.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.309 -0.405 . . . . 54.44 111.388 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.42 -38.85 92.74 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.608 -0.269 . . . . 70.23 111.676 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.476 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 57.9 mtt -51.25 -52.66 42.73 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.028 0.442 . . . . 70.21 110.714 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.532 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 27.3 t70 -54.35 -52.97 59.91 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.663 -0.698 . . . . 74.1 111.103 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -50.26 -39.16 44.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.108 0.48 . . . . 74.24 111.836 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.633 HD13 HD11 ' B' ' 10' ' ' ILE . 59.9 mt -79.6 -26.61 41.2 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.143 -0.48 . . . . 64.42 111.766 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.8 mtt180 -75.62 -11.03 59.93 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.45 -0.341 . . . . 73.14 111.755 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 13.1 mmmm -75.37 2.71 10.64 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.838 0.351 . . . . 75.21 111.905 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.401 HG12 ' H ' ' B' ' 71' ' ' GLY . 47.3 t -97.17 125.59 50.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 CA-C-O 120.776 0.322 . . . . 74.54 111.36 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -56.96 -30.5 64.11 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 112.894 0.701 . . . . 74.1 112.894 -175.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.401 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -86.48 -10.08 74.34 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.953 -0.641 . . . . 71.22 114.323 -174.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.9 t -97.22 135.82 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 117.614 0.707 . . . . 60.41 111.466 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -121.8 -10.26 8.73 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.484 0.55 . . . . 65.31 112.484 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.618 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.3 p -135.31 122.7 21.85 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.03 0.443 . . . . 54.4 111.471 175.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.404 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 44.1 t -135.82 104.19 4.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 116.277 -0.419 . . . . 74.44 110.034 171.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -123.73 168.93 12.04 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.5 -0.318 . . . . 71.44 111.121 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.419 ' HB2' HD21 ' B' ' 59' ' ' LEU . 13.3 ptt180 -98.81 136.43 38.85 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.425 0.631 . . . . 74.21 110.992 176.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' B' ' 9' ' ' ARG . 94.9 mt -79.59 91.64 5.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.929 -0.578 . . . . 72.5 110.619 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -72.14 -58.54 3.34 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.046 -0.524 . . . . 71.03 111.329 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -76.27 103.25 6.2 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.931 0.396 . . . . 74.24 110.763 178.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -102.85 147.45 26.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.248 0.547 . . . . 63.44 111.975 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.633 ' HG3' ' H ' ' B' ' 83' ' ' HIS . 5.9 pt-20 -91.58 -95.28 0.13 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.962 -0.563 . . . . 71.53 109.946 171.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.633 ' H ' ' HG3' ' B' ' 82' ' ' GLU . 49.3 m-70 67.77 -22.74 0.12 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.139 0.792 . . . . 71.04 113.139 175.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' HIS . . . . . 0.43 ' H ' ' C ' ' B' ' 82' ' ' GLU . 51.0 t60 -80.28 123.36 27.9 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.105 -0.702 . . . . 73.44 109.105 172.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -49.76 -31.22 11.0 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.814 1.042 . . . . 73.22 113.814 -170.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -69.6 84.58 0.44 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 121.066 0.46 . . . . 75.31 111.016 175.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -160.04 142.39 13.27 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.222 -0.445 . . . . 65.54 111.908 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 30.0 m80 . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.497 -0.763 . . . . 74.24 110.888 170.804 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.138 0.494 . . . . 61.34 111.386 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 t -154.72 -36.06 0.09 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.806 -0.634 . . . . 73.43 110.575 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.535 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 24.2 t70 -171.65 112.4 0.33 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.422 -0.808 . . . . 74.11 109.093 173.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 6' ' ' ALA . 51.0 p90 -128.34 154.51 45.88 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.984 0.421 . . . . 55.03 110.976 -175.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 50' ' ' MET . 51.0 tp -78.94 102.73 8.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.282 0.563 . . . . 62.45 110.977 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.507 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -93.65 150.02 20.75 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.945 -0.571 . . . . 71.31 111.702 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.28 143.61 14.46 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.018 -0.61 . . . . 51.22 113.622 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.1 mt -132.72 144.8 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 122.886 0.474 . . . . 61.22 110.043 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.537 ' HB2' HD21 ' A' ' 78' ' ' LEU . 62.9 ttt180 -121.89 133.39 54.86 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.659 -0.651 . . . . 75.31 111.3 175.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.481 ' HB ' ' HB3' ' A' ' 47' ' ' CYS . 19.8 mt -121.3 117.36 52.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 115.931 -0.577 . . . . 73.32 110.881 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.572 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 52.3 t -122.01 118.63 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 121.513 0.673 . . . . 74.02 111.227 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.42 158.88 27.79 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.46 -0.791 . . . . 41.44 112.779 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.04 128.08 35.4 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.078 0.466 . . . . 74.31 111.314 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.42 109.68 7.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.823 0.344 . . . . 65.41 111.174 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' A' ' 18' ' ' MET . 20.5 ptmt -149.24 128.77 13.09 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.36 0.504 . . . . 74.32 112.36 -176.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 56.33 26.49 10.65 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.889 1.07 . . . . 65.22 113.889 172.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.623 ' HA2' HD22 ' B' ' 32' ' ' ASN . . . 86.83 37.68 8.42 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 120.826 -0.702 . . . . 75.2 113.799 177.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.582 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 35.0 mtp -66.22 -42.13 89.13 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.359 0.503 . . . . 63.33 112.359 178.097 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.4 p -50.65 -29.76 11.84 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.906 0.384 . . . . 63.34 111.936 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.47 ' ND2' HG13 ' B' ' 33' ' ' ILE . 14.8 m120 -72.89 -48.15 39.77 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.084 0.469 . . . . 74.24 111.034 178.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 18' ' ' MET . 1.7 pt20 -66.06 -38.31 88.0 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.983 -0.553 . . . . 74.22 111.16 -177.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.531 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 22.3 mm -62.27 -53.76 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 112.43 0.53 . . . . 72.44 112.43 -175.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 m -72.09 -26.79 62.29 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.431 -0.508 . . . . 52.32 110.502 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.68 -45.81 95.07 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 120.88 -0.676 . . . . 62.2 112.147 172.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.538 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 89.4 t -62.35 -35.63 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.647 0.26 . . . . 74.23 111.476 176.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.572 HD12 HD22 ' A' ' 49' ' ' LEU . 48.7 mm -51.52 -43.11 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-O 121.284 0.564 . . . . 55.44 111.329 176.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 m -59.0 -32.62 69.87 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.945 -0.57 . . . . 73.3 111.518 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 25' ' ' VAL . 37.6 mtmt -86.58 18.29 3.42 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.974 -0.557 . . . . 73.52 112.361 -171.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 21.6 m-30 -90.05 -5.78 56.23 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 111.975 0.361 . . . . 74.34 111.975 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 67.86 1.97 2.9 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.521 0.563 . . . . 73.02 112.521 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 t -101.58 147.48 26.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.239 -0.288 . . . . 72.42 111.037 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -72.5 120.54 18.26 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.065 0.46 . . . . 73.23 111.55 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.528 ' HA ' HG22 ' A' ' 51' ' ' ILE . 79.1 mt -72.35 101.07 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 116.158 -0.474 . . . . 71.32 111.459 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -82.21 -33.57 29.3 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.911 0.386 . . . . 64.54 110.472 178.609 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.619 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 46.2 m -155.25 132.62 11.05 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.743 0.306 . . . . 72.01 111.753 176.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.704 HD11 ' SG ' ' A' ' 47' ' ' CYS . 9.8 tp -140.45 131.55 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 110.232 -0.285 . . . . 75.33 110.232 174.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.88 104.84 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 120.932 0.396 . . . . 74.14 111.785 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.661 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.0 tt -113.51 127.15 55.99 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 122.304 -0.248 . . . . 63.23 110.35 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -138.81 131.88 29.69 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.801 0.334 . . . . 75.33 110.97 173.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -97.79 104.56 16.6 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.25 0.548 . . . . 70.53 111.559 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' O ' ' HE3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -128.8 152.81 48.06 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.918 -0.583 . . . . 73.0 110.372 178.039 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 66.6 8.71 6.05 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.537 0.335 . . . . 74.34 111.502 -176.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.77 75.58 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 121.257 -0.497 . . . . 62.41 112.674 -173.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.7 mt -125.64 153.85 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.16 0.584 . . . . 73.32 110.241 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.544 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 39.8 p90 -113.84 147.1 38.98 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.63 -0.669 . . . . 75.03 111.489 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 t -122.66 100.33 6.86 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.202 0.525 . . . . 62.44 110.96 173.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.704 ' SG ' HD11 ' A' ' 36' ' ' ILE . 48.6 t -94.34 113.59 25.5 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.042 -0.526 . . . . 51.24 111.402 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.433 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.3 m-20 -100.89 112.06 24.41 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.769 0.319 . . . . 75.53 111.21 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.572 HD22 HD12 ' A' ' 26' ' ' ILE . 51.1 tp -98.74 134.28 41.87 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.224 -0.443 . . . . 60.45 112.147 -178.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.594 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 58.6 mmm -131.98 112.04 12.05 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.229 -0.442 . . . . 71.4 110.766 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.528 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -141.69 159.71 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 116.362 -0.381 . . . . 71.14 111.647 -176.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -92.72 145.82 24.12 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.026 0.441 . . . . 74.44 111.724 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 13.6 m -146.83 153.22 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 116.31 -0.404 . . . . 73.14 111.118 -177.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.448 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -91.24 -9.28 45.82 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.003 0.371 . . . . 60.22 112.003 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -160.78 160.45 31.25 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.039 0.447 . . . . 74.52 111.737 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.9 p -72.36 -23.95 61.21 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.133 0.419 . . . . 72.51 112.133 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.83 -40.28 96.24 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.914 0.864 . . . . 75.35 109.837 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -59.49 -43.12 93.38 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.675 -1.148 . . . . 72.12 111.356 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.507 HD13 ' HB1' ' A' ' 6' ' ' ALA . 50.4 tp -65.28 -48.04 74.57 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.384 -0.371 . . . . 73.34 111.811 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.7 p -64.67 -28.35 69.55 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.864 0.364 . . . . 55.51 111.66 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.2 m -61.44 -42.41 98.72 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.154 0.502 . . . . 75.33 111.413 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.403 HD13 ' CD2' ' A' ' 29' ' ' PHE . 13.4 mt -64.65 -37.74 88.6 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.091 -178.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.487 ' HE3' ' HG ' ' A' ' 59' ' ' LEU . 51.8 mtt -56.74 -49.38 75.38 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.222 0.534 . . . . 75.12 110.805 176.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.412 ' O ' ' HE2' ' A' ' 68' ' ' LYS . 10.7 t70 -58.37 -44.92 89.05 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.576 -0.738 . . . . 43.12 110.728 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -58.21 -40.79 82.54 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.931 0.396 . . . . 73.31 111.827 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.465 HD13 HD11 ' A' ' 10' ' ' ILE . 44.7 mt -76.04 -31.92 59.08 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.064 0.459 . . . . 74.24 112.178 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -71.35 -7.76 49.26 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 112.648 0.61 . . . . 73.52 112.648 -174.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' HE2' ' O ' ' A' ' 64' ' ' ASP . 70.9 mmtt -72.68 -18.85 61.51 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.168 0.433 . . . . 72.34 112.168 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.1 t -77.06 121.27 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 112.209 0.448 . . . . 73.12 112.209 -173.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 71' ' ' GLY . 6.7 pt20 -54.62 -34.45 62.11 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.855 0.687 . . . . 73.22 112.855 -177.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.566 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -75.94 -22.25 74.66 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.146 -0.55 . . . . 75.15 113.816 -176.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.2 t -88.94 133.12 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 117.12 0.46 . . . . 65.52 111.396 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.62 -8.61 10.9 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.373 0.509 . . . . 73.23 112.373 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.572 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 6.2 p -133.64 118.74 18.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.173 0.511 . . . . 73.41 111.492 175.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.4 t -134.69 102.52 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.681 -0.488 . . . . 74.04 109.681 171.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -137.68 173.7 11.37 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.255 0.55 . . . . 71.45 111.873 -173.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -87.47 148.07 25.11 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.846 -0.616 . . . . 72.23 111.523 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' A' ' 9' ' ' ARG . 94.5 mt -96.77 104.97 17.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.288 -0.414 . . . . 71.33 110.697 174.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.6 p -80.19 -60.0 2.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.906 0.384 . . . . 51.03 111.598 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -76.37 104.1 6.71 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.274 0.559 . . . . 71.04 110.956 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 83' ' ' HIS . 66.4 mt -100.57 132.66 45.84 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.12 -0.491 . . . . 64.01 111.81 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -94.25 27.26 2.96 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.527 0.679 . . . . 73.22 110.888 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.414 ' HD2' ' HB3' ' A' ' 81' ' ' LEU . 35.3 m-70 -81.51 69.57 8.19 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.27 0.557 . . . . 64.23 111.895 -174.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -60.63 133.15 55.81 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.47 -0.786 . . . . 62.14 111.708 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -109.63 121.29 44.89 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.465 0.543 . . . . 74.14 112.465 -174.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -168.53 122.59 0.88 Allowed 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.023 0.44 . . . . 75.5 111.027 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -108.8 131.66 54.75 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.403 -0.362 . . . . 71.22 111.141 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.695 -0.669 . . . . 70.44 111.491 178.844 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' B' ' 1' ' ' MET . 3.0 mpp? . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.696 0.284 . . . . 64.11 111.216 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 11.5 t -175.18 -176.9 0.98 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.81 0.444 . . . . 64.42 110.377 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -154.75 145.89 22.79 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.078 0.466 . . . . 65.33 112.008 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -149.86 148.86 29.66 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.114 -0.493 . . . . 72.12 110.104 168.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 49.1 tp -77.36 102.14 6.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.257 0.551 . . . . 70.44 110.927 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.526 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -94.65 138.07 32.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.907 -0.588 . . . . 73.34 111.227 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.484 ' HA3' ' HB2' ' B' ' 78' ' ' LEU . . . -114.24 143.08 17.88 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 121.034 -0.603 . . . . 62.45 113.518 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.578 HD12 HD23 ' B' ' 49' ' ' LEU . 41.1 mt -128.45 145.21 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.815 -0.439 . . . . 74.01 109.815 175.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.494 ' HB2' HD21 ' B' ' 78' ' ' LEU . 35.9 ttt180 -121.95 124.98 45.33 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.997 -0.439 . . . . 70.12 110.81 175.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.524 HD11 HD13 ' B' ' 66' ' ' LEU . 42.2 mt -113.3 117.25 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.535 . . . . 74.42 110.709 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.565 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 59.4 t -120.53 112.62 37.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 CA-C-O 121.342 0.592 . . . . 71.14 110.816 177.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.09 168.04 24.71 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.412 -0.813 . . . . 74.31 112.878 -177.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.441 ' HG3' ' HG2' ' B' ' 15' ' ' LYS . 14.6 pt-20 -76.44 143.64 40.43 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.24 0.459 . . . . 74.43 112.24 -176.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.69 94.11 0.06 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.268 0.47 . . . . 74.22 112.268 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.483 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 3.5 mmmp? -107.63 145.87 32.74 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.68 -0.236 . . . . 72.04 111.214 172.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 4.37 -65.36 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 O-C-N 124.764 1.29 . . . . 75.34 114.365 164.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.15 31.91 1.92 Allowed Glycine 0 CA--C 1.528 0.859 0 CA-C-N 115.732 -0.667 . . . . 70.31 113.529 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.483 ' HG2' ' HB2' ' B' ' 15' ' ' LYS . 20.3 mmm -66.16 -48.3 71.2 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 122.493 -0.416 . . . . 65.02 111.961 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 67.7 p -59.23 -30.99 68.65 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.139 0.495 . . . . 71.13 111.502 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.41 ' ND2' HG13 ' A' ' 33' ' ' ILE . 14.0 m120 -76.24 -48.41 20.4 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.061 -0.518 . . . . 70.04 110.949 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.486 ' O ' HG23 ' B' ' 25' ' ' VAL . 18.5 pt20 -67.0 -39.74 87.18 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.305 -0.407 . . . . 73.21 111.678 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.414 ' O ' HG13 ' B' ' 26' ' ' ILE . 10.5 mm -56.36 -54.33 29.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 112.007 0.373 . . . . 75.1 112.007 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 15.6 m -74.67 -28.59 60.9 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.093 0.473 . . . . 71.52 110.76 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.17 95.54 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-N 116.083 -0.508 . . . . 75.22 112.633 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 21' ' ' GLN . 91.9 t -71.61 -36.88 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 120.91 0.386 . . . . 64.31 110.836 175.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.466 HG21 HD13 ' B' ' 49' ' ' LEU . 71.2 mt -56.66 -40.18 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 120.806 0.336 . . . . 73.41 111.753 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 61.9 p -62.24 -21.74 65.41 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 120.764 0.316 . . . . 62.32 111.326 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -80.52 -1.55 42.3 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 111.882 0.327 . . . . 51.44 111.882 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -73.2 154.18 40.37 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.563 0.697 . . . . 73.04 112.332 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.32 10.51 2.45 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.363 -0.835 . . . . 65.04 111.948 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.8 t -125.79 162.62 24.69 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 112.531 0.567 . . . . 73.31 112.531 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ASN . . . . . 0.623 HD22 ' HA2' ' A' ' 17' ' ' GLY . 25.4 t-20 -87.38 132.12 34.07 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.0 -0.545 . . . . 74.04 111.505 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.47 HG13 ' ND2' ' A' ' 20' ' ' ASN . 64.8 mt -78.01 100.3 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.315 -0.402 . . . . 73.45 110.778 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' B' ' 34' ' ' ARG . 0.5 OUTLIER -77.51 -32.81 54.39 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.113 0.483 . . . . 64.13 111.1 -177.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 72.0 m -156.1 133.28 10.68 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.926 -0.579 . . . . 72.12 110.861 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.74 HD11 ' SG ' ' B' ' 47' ' ' CYS . 10.7 tp -134.15 130.12 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 120.993 0.425 . . . . 73.15 110.588 175.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 85.7 t -126.15 138.68 53.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 CA-C-N 116.437 -0.347 . . . . 70.31 110.254 177.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.619 ' O ' ' HA ' ' A' ' 35' ' ' THR . 7.7 tt -144.1 116.31 8.45 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.866 -0.42 . . . . 71.51 109.866 175.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.426 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 2.5 p-10 -134.9 109.64 8.63 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.221 0.534 . . . . 63.2 111.564 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -92.24 130.82 37.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.355 0.598 . . . . 65.13 112.493 -177.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.532 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -154.43 157.92 39.19 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.614 -0.721 . . . . 73.35 110.118 175.532 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 63.54 11.6 5.79 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 112.348 0.499 . . . . 71.11 112.348 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.53 11.36 60.87 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 121.124 -0.56 . . . . 72.34 112.86 -177.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.8 mt -136.0 158.26 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 122.922 0.489 . . . . 62.02 110.598 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.512 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 43.2 p90 -129.38 140.07 51.48 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 122.052 -0.405 . . . . 74.01 111.517 177.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.406 HG23 ' OD1' ' B' ' 39' ' ' ASN . 1.7 t -112.09 102.26 10.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.095 0.474 . . . . 73.44 111.755 175.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.74 ' SG ' HD11 ' B' ' 36' ' ' ILE . 51.8 t -91.06 113.41 25.66 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.235 -0.438 . . . . 72.02 111.632 177.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -94.88 110.9 22.73 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.546 0.338 . . . . 74.43 111.065 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.578 HD23 HD12 ' B' ' 8' ' ' ILE . 55.1 tp -98.22 131.58 44.45 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.109 0.481 . . . . 72.01 112.013 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.728 ' SD ' ' NE2' ' B' ' 83' ' ' HIS . 0.1 OUTLIER -126.19 111.02 14.12 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.171 -0.468 . . . . 62.32 110.976 176.78 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -139.53 159.69 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 112.219 0.451 . . . . 75.14 112.219 -175.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -97.67 130.94 44.63 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.127 0.489 . . . . 60.41 111.789 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.77 155.96 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.954 0.407 . . . . 74.21 111.609 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.506 ' NZ ' ' HB2' ' B' ' 54' ' ' LYS . 10.2 mtmp? -88.64 -12.97 40.99 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.264 -0.426 . . . . 74.41 111.868 177.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -164.31 166.59 20.7 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.903 0.382 . . . . 65.44 111.529 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 66.2 p -72.5 -35.8 68.23 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.689 0.626 . . . . 63.41 112.689 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.41 -32.37 73.79 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.641 0.734 . . . . 71.22 110.538 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -59.04 -44.44 91.76 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.284 -0.871 . . . . 73.15 110.981 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.526 HD22 ' HB1' ' B' ' 6' ' ' ALA . 64.0 tp -67.24 -47.33 71.11 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.287 -0.415 . . . . 71.43 111.579 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 75.4 p -60.1 -36.95 78.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.606 -0.27 . . . . 53.41 111.486 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 82.1 m -63.1 -42.27 99.55 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.443 -0.344 . . . . 54.42 111.069 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 50.5 mt -59.88 -47.99 83.51 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.937 0.398 . . . . 71.1 111.199 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.573 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 71.7 mtm -59.8 -39.89 86.51 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.747 0.308 . . . . 62.44 110.953 176.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.15 -38.2 85.57 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.077 0.465 . . . . 71.44 111.012 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -62.28 -42.82 99.68 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.321 0.581 . . . . 65.41 111.029 174.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.524 HD13 HD11 ' B' ' 10' ' ' ILE . 65.3 mt -71.26 -26.85 63.07 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.992 -0.549 . . . . 71.2 111.742 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.5 mtt180 -68.44 -9.02 45.78 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 111.983 0.364 . . . . 74.22 111.983 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -76.78 -9.67 58.84 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.722 0.638 . . . . 71.24 112.722 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.479 HG12 ' H ' ' B' ' 71' ' ' GLY . 41.8 t -92.46 125.49 45.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-O 121.491 0.662 . . . . 65.13 112.548 -174.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -58.43 -30.84 67.2 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.379 -0.828 . . . . 63.13 112.749 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.479 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -79.18 -11.94 84.53 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.254 -0.498 . . . . 73.11 114.186 -176.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.54 134.27 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 117.537 0.668 . . . . 70.13 111.942 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.29 -19.37 10.21 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.282 -0.417 . . . . 75.32 112.072 176.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.565 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 0.7 OUTLIER -124.13 118.38 26.77 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.946 -0.471 . . . . 74.4 111.655 176.077 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 39.6 t -128.28 110.27 21.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 109.053 -0.721 . . . . 73.34 109.053 170.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -137.71 160.93 37.88 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.745 0.646 . . . . 71.23 112.745 -173.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.44 ' HG3' HD21 ' B' ' 59' ' ' LEU . 76.1 ttt-85 -88.7 122.76 32.46 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.783 -0.644 . . . . 72.35 111.457 177.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.494 HD21 ' HB2' ' B' ' 9' ' ' ARG . 94.7 mt -70.45 99.55 1.62 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.939 0.399 . . . . 75.23 110.957 176.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 69.0 p -73.58 -58.27 3.42 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.133 0.492 . . . . 55.52 111.677 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -83.86 120.95 26.68 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 116.322 -0.399 . . . . 71.44 111.078 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 48.4 mt -111.34 152.42 27.29 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.484 0.659 . . . . 42.33 112.053 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -89.73 19.86 4.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.623 -0.717 . . . . 65.14 110.583 172.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.728 ' NE2' ' SD ' ' B' ' 50' ' ' MET . 42.8 m-70 -99.11 -62.69 1.2 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.935 0.717 . . . . 75.02 112.935 -172.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -70.14 7.81 0.9 Allowed 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 112.801 0.667 . . . . 71.43 112.801 -168.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -95.84 11.18 34.6 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.242 0.544 . . . . 65.41 110.31 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -66.96 83.6 0.11 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.71 -0.677 . . . . 73.34 112.395 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -103.3 2.28 33.95 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.354 0.597 . . . . 65.14 110.58 173.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.528 -0.76 . . . . 74.41 110.745 178.702 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtt . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.037 0.446 . . . . 63.13 111.704 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 m -117.07 9.34 13.59 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.427 0.632 . . . . 75.52 110.186 173.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.46 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 5.2 m-20 -61.96 121.41 12.9 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.862 -0.608 . . . . 64.01 111.191 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -111.9 155.16 24.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.982 0.42 . . . . 60.23 109.975 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.0 tp -77.68 104.34 8.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.43 0.633 . . . . 74.11 110.808 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.609 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -93.09 136.85 32.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.728 -0.669 . . . . 74.22 111.542 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.69 138.43 14.81 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 121.276 -0.487 . . . . 63.32 113.189 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 mt -128.61 150.35 34.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 122.746 0.419 . . . . 65.22 110.359 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -128.77 130.33 46.88 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.894 0.378 . . . . 54.11 111.054 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.888 HD11 HD13 ' A' ' 66' ' ' LEU . 38.8 mt -120.41 117.36 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.999 -0.546 . . . . 44.35 110.981 -177.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.616 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 68.1 t -118.04 115.84 49.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.489 0.662 . . . . 74.25 111.058 174.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.0 162.93 27.09 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.59 -0.732 . . . . 73.15 112.59 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.38 139.21 47.72 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.12 0.486 . . . . 72.2 111.669 -177.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -76.03 108.23 8.79 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.266 -0.425 . . . . 74.15 111.893 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 17' ' ' GLY . 30.3 mtmm -134.92 127.13 30.05 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.299 -0.41 . . . . 73.4 111.248 175.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 53.96 -75.37 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.079 0.862 . . . . 74.42 113.162 167.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -149.04 30.09 1.22 Allowed Glycine 0 CA--C 1.525 0.678 0 CA-C-N 115.245 -0.889 . . . . 73.44 112.684 -175.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.462 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 59.0 mmm -57.5 -50.67 72.31 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.982 0.42 . . . . 71.22 111.647 177.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.8 p -56.7 -34.68 67.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 74.52 111.777 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -74.35 -45.88 44.33 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.05 0.452 . . . . 73.25 110.793 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.469 ' O ' HG23 ' A' ' 25' ' ' VAL . 16.3 pt20 -67.54 -35.87 79.9 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.093 -0.503 . . . . 71.54 111.206 -176.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.473 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 12.1 mm -62.97 -53.57 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 111.998 0.369 . . . . 74.4 111.998 -178.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.432 ' HA ' HD12 ' A' ' 26' ' ' ILE . 10.1 m -72.02 -26.93 62.41 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.393 0.616 . . . . 50.11 110.152 177.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.37 -43.28 99.56 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 115.735 -0.666 . . . . 75.3 112.724 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 21' ' ' GLN . 75.2 t -66.31 -37.55 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-O 120.952 0.406 . . . . 75.02 110.795 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 23' ' ' THR . 74.0 mt -55.97 -43.31 74.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 121.008 0.432 . . . . 54.22 111.702 175.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.9 p -66.31 -21.13 66.25 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 120.794 0.331 . . . . 51.42 111.438 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 57.8 mtpt -77.25 -3.9 42.13 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.268 0.47 . . . . 63.05 112.268 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -74.14 165.05 25.82 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.466 0.65 . . . . 74.23 111.945 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -78.57 -33.45 47.65 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.768 -0.651 . . . . 64.35 111.275 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -78.04 168.39 19.96 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.827 -0.624 . . . . 73.41 112.338 -176.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -104.18 136.46 43.75 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.109 0.48 . . . . 64.33 111.561 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' B' ' 20' ' ' ASN . 67.6 mt -65.5 131.89 31.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.233 0.539 . . . . 72.25 111.434 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HG2' ' HA ' ' A' ' 51' ' ' ILE . 8.7 mmm180 -110.23 -34.12 6.46 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.347 0.594 . . . . 75.34 110.266 176.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 34.1 m -157.23 132.46 9.02 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.826 -0.625 . . . . 64.23 110.263 175.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.629 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.9 tp -134.73 128.88 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 121.028 0.442 . . . . 60.01 110.578 175.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.507 HG22 HG13 ' B' ' 37' ' ' VAL . 59.8 t -126.15 121.13 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 116.457 -0.338 . . . . 55.01 110.794 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.462 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.5 tt -134.48 128.27 33.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.041 -0.412 . . . . 74.22 110.787 178.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -152.2 130.98 12.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.459 -0.337 . . . . 75.43 110.929 174.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.69 116.68 33.16 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.096 0.474 . . . . 55.22 111.686 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.53 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -129.72 149.37 51.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.08 -0.509 . . . . 74.21 110.017 176.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 57.95 22.4 8.73 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 111.995 0.368 . . . . 73.32 111.995 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.89 6.61 82.21 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 121.258 -0.496 . . . . 75.22 113.843 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.8 mt -131.93 148.53 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 122.489 -0.418 . . . . 74.14 110.89 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.545 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 44.8 p90 -116.16 145.61 42.94 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.078 0.466 . . . . 73.53 111.475 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -119.26 102.25 8.57 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.998 -0.546 . . . . 63.14 110.84 174.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.629 ' SG ' HD11 ' A' ' 36' ' ' ILE . 42.5 t -95.53 113.61 25.28 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.098 -0.501 . . . . 72.15 111.687 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.0 m-20 -97.94 112.39 24.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.56 0.344 . . . . 73.5 110.814 178.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.42 HD13 HG21 ' A' ' 26' ' ' ILE . 47.9 tp -99.01 131.86 44.75 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.032 0.444 . . . . 73.2 111.946 -178.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.476 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 70.1 mmm -126.26 113.7 17.31 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.884 0.373 . . . . 72.43 111.308 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.461 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 2.3 pp -140.33 169.08 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 116.191 -0.459 . . . . 62.42 111.12 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.01 136.22 39.29 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.946 -0.471 . . . . 70.54 111.947 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.52 141.3 42.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 120.86 0.362 . . . . 72.24 110.938 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.561 ' H ' ' HD3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -73.65 -9.6 58.84 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.321 0.86 . . . . 74.33 113.321 179.516 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -164.89 154.18 12.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.138 0.422 . . . . 70.54 112.138 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.8 p -63.82 -23.6 67.42 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.528 0.566 . . . . 72.13 112.528 -175.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.36 -48.18 82.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.902 0.858 . . . . 73.23 109.611 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -57.71 -33.18 68.14 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.447 -1.251 . . . . 75.51 111.572 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.609 HD13 ' HB1' ' A' ' 6' ' ' ALA . 33.1 tp -70.3 -48.2 57.71 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.779 0.323 . . . . 75.21 111.618 178.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 63.4 p -61.81 -34.83 76.62 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.92 0.39 . . . . 74.02 111.385 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.8 m -57.76 -41.27 81.61 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.397 -0.365 . . . . 63.33 111.459 175.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.42 -35.13 79.92 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.447 -0.342 . . . . 54.45 111.696 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.9 mtt -54.66 -44.53 73.37 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.966 0.412 . . . . 74.03 110.986 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 32.2 t70 -60.84 -54.33 46.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.054 -0.521 . . . . 74.31 111.179 176.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -51.04 -36.97 42.59 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.715 -0.675 . . . . 63.43 111.968 -176.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.888 HD13 HD11 ' A' ' 10' ' ' ILE . 43.5 mt -83.76 -27.69 28.7 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.083 0.468 . . . . 73.14 111.524 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -79.82 -9.88 59.71 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 111.998 0.37 . . . . 74.12 111.998 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 31.5 mmmt -71.75 -5.51 34.57 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 122.089 -0.382 . . . . 75.53 111.974 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.92 121.31 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 120.717 0.294 . . . . 70.0 111.05 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -59.82 -28.82 67.8 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.546 0.573 . . . . 73.31 112.546 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.01 -14.88 78.6 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.166 -0.54 . . . . 53.54 114.08 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.54 141.08 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 117.246 0.523 . . . . 63.22 111.179 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -123.74 -3.59 8.22 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.803 0.668 . . . . 71.44 112.803 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.616 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 7.3 p -141.81 125.45 16.85 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.913 0.387 . . . . 75.43 111.156 174.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 t -141.2 101.91 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.561 -0.533 . . . . 62.53 109.561 172.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -131.19 177.89 7.12 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 111.868 0.322 . . . . 73.25 111.868 -172.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 77' ' ' ARG . 34.5 ttt180 -92.85 147.27 22.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.164 0.507 . . . . 73.22 111.499 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -95.27 114.88 26.72 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.864 -0.607 . . . . 65.22 110.714 173.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.2 t -81.6 -48.67 11.47 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.974 0.416 . . . . 65.32 111.797 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -85.99 114.75 23.13 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.42 -0.354 . . . . 75.33 110.982 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.1 mt -108.23 124.74 50.75 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.803 0.811 . . . . 63.14 110.99 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.575 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -84.35 29.53 0.58 Allowed 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.885 -1.052 . . . . 60.5 111.141 -177.195 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -96.79 11.21 36.45 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.927 0.714 . . . . 65.01 112.927 -170.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -69.98 111.72 5.88 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 109.377 -0.601 . . . . 70.32 109.377 174.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -51.92 142.19 16.09 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.536 0.569 . . . . 74.41 112.536 -169.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -66.71 105.9 1.68 Allowed 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.285 0.846 . . . . 65.41 113.285 -171.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -72.37 -32.7 66.67 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.556 -0.905 . . . . 75.45 108.556 166.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.4 m80 . . . . . 0 C--O 1.254 1.328 0 CA-C-N 114.705 -1.134 . . . . 61.43 110.243 170.482 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 111.853 0.316 . . . . 75.12 111.853 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 28.5 m -69.05 -17.69 63.92 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.216 0.532 . . . . 71.34 111.024 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 0.7 OUTLIER -55.78 137.23 50.27 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.634 -0.712 . . . . 74.54 111.871 -177.065 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -140.46 156.97 46.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.792 0.329 . . . . 63.35 110.565 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 37.4 tp -76.78 108.17 9.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.823 0.344 . . . . 72.14 110.971 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.574 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -100.71 153.21 19.63 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.468 -0.333 . . . . 61.24 111.307 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.93 135.45 8.26 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 120.876 -0.678 . . . . 64.54 114.051 -176.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 57.9 mt -127.51 126.61 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 122.838 0.455 . . . . 64.11 110.287 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.519 ' HB2' HD21 ' B' ' 78' ' ' LEU . 34.1 ttm180 -101.91 118.54 37.14 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.107 0.48 . . . . 72.34 111.307 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.59 HD11 HD13 ' B' ' 66' ' ' LEU . 49.1 mt -104.92 118.0 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.868 -0.605 . . . . 75.34 111.204 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.589 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 77.1 t -119.19 114.26 44.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.411 0.624 . . . . 54.24 110.895 175.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.26 170.93 23.91 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 115.647 -0.706 . . . . 63.2 112.444 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -73.89 128.67 36.14 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.252 0.549 . . . . 71.03 112.054 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.88 100.67 2.47 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.281 0.562 . . . . 63.4 111.45 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -120.41 179.37 4.33 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.912 -0.586 . . . . 60.31 112.394 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -74.94 43.16 0.19 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.696 0.999 . . . . 73.12 113.696 -171.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.3 -23.02 0.18 Allowed Glycine 0 CA--C 1.527 0.824 0 C-N-CA 121.201 -0.523 . . . . 64.22 113.469 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.481 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 35.3 mmm -53.31 -50.74 64.3 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.223 0.823 . . . . 61.24 113.223 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 50.6 p -56.65 -37.8 71.29 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.086 0.469 . . . . 55.23 111.907 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.488 ' HA ' HD12 ' A' ' 33' ' ' ILE . 5.8 t30 -71.74 -45.94 60.14 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.979 -0.555 . . . . 61.42 110.643 -178.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.485 ' O ' HG23 ' B' ' 25' ' ' VAL . 7.9 pt20 -67.57 -38.94 84.82 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.087 -0.506 . . . . 75.44 111.426 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.422 ' O ' HG13 ' B' ' 26' ' ' ILE . 17.6 mm -61.1 -54.84 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 112.166 0.432 . . . . 72.23 112.166 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 14.0 m -73.82 -27.78 61.28 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.125 0.488 . . . . 72.44 110.636 -177.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -62.68 -52.2 50.35 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.212 -0.518 . . . . 64.24 112.549 174.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 21' ' ' GLN . 95.7 t -59.04 -37.92 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-O 120.893 0.378 . . . . 72.35 111.524 177.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.491 HG21 HD13 ' B' ' 49' ' ' LEU . 73.0 mt -57.56 -45.95 86.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 116.256 -0.429 . . . . 53.51 111.947 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 51.4 p -62.52 -20.85 65.03 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.835 0.35 . . . . 41.32 111.216 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 45.8 mtpt -82.33 4.77 22.54 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.359 0.503 . . . . 71.24 112.359 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -73.2 162.64 29.17 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.434 0.635 . . . . 73.43 112.055 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.48 -29.99 70.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.704 -0.68 . . . . 64.13 111.034 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.2 t -89.0 168.36 12.42 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.385 -0.825 . . . . 75.1 112.95 -172.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -93.8 125.37 38.39 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.674 -0.694 . . . . 65.31 111.114 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.5 ' HA ' HG22 ' B' ' 51' ' ' ILE . 2.2 mp -72.65 100.28 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.377 0.608 . . . . 73.22 110.6 177.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.475 ' HD3' ' HB3' ' A' ' 40' ' ' ALA . 5.2 tpp180 -80.64 -29.65 36.7 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.207 0.527 . . . . 75.21 110.898 -178.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 33.7 m -156.04 142.69 18.69 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.974 -0.557 . . . . 73.25 110.555 176.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.555 ' HA ' ' O ' ' B' ' 48' ' ' ASN . 20.4 tt -158.86 129.74 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.018 0.437 . . . . 73.15 111.165 173.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.507 HG13 HG22 ' A' ' 37' ' ' VAL . 64.3 t -132.82 105.03 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 116.504 -0.316 . . . . 71.12 111.552 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.621 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.6 tt -103.28 115.66 30.99 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 110.153 -0.314 . . . . 72.45 110.153 176.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -133.74 137.6 45.3 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.803 0.335 . . . . 73.22 110.922 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -102.25 123.11 45.5 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.176 0.512 . . . . 73.41 111.435 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.471 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -132.82 135.51 45.7 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.092 -0.504 . . . . 61.21 110.652 177.298 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 18.4 t70 65.72 13.22 8.83 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.013 -0.54 . . . . 73.11 112.03 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.62 -7.6 50.33 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 121.38 -0.438 . . . . 61.43 113.685 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -117.87 148.76 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 122.444 -0.444 . . . . 52.14 110.638 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.538 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 33.4 p90 -115.01 140.92 48.66 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.092 0.472 . . . . 45.31 111.677 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.403 ' HB ' HG22 ' B' ' 11' ' ' VAL . 2.3 t -116.13 104.88 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.017 -0.538 . . . . 71.22 110.907 175.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.407 ' HB3' ' HB ' ' B' ' 10' ' ' ILE . 48.7 t -90.4 103.07 15.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.057 0.456 . . . . 75.05 110.843 176.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.555 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 2.9 m-20 -83.41 105.35 14.28 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.266 -0.424 . . . . 74.4 110.655 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.491 HD13 HG21 ' B' ' 26' ' ' ILE . 33.6 tp -98.1 130.92 44.87 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.024 0.44 . . . . 71.34 111.899 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.554 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 60.4 mmm -130.82 113.46 14.11 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.246 -0.433 . . . . 63.11 111.306 178.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.5 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -138.35 158.79 31.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.0 0.429 . . . . 72.42 111.896 -177.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -90.38 131.67 36.03 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.879 0.371 . . . . 73.54 111.874 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 3.7 m -129.61 152.58 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 116.618 -0.265 . . . . 64.13 110.865 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.489 ' HG3' ' OD1' ' B' ' 55' ' ' ASN . 19.9 ptpt -94.01 -17.06 23.29 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.547 0.213 . . . . 65.23 111.428 175.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.489 ' OD1' ' HG3' ' B' ' 54' ' ' LYS . 17.1 m120 -141.73 146.43 36.02 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.838 0.351 . . . . 74.44 111.219 176.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.8 p -61.36 -24.95 66.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.955 0.407 . . . . 74.23 111.227 173.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -56.11 -46.11 79.23 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.121 0.486 . . . . 71.13 110.878 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -57.34 -45.7 84.06 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.974 -0.557 . . . . 71.23 110.9 175.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.574 HD13 ' HB1' ' B' ' 6' ' ' ALA . 49.9 tp -57.04 -47.23 81.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.247 -0.433 . . . . 61.13 111.709 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.9 p -71.93 -27.73 63.0 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.912 0.387 . . . . 72.24 111.874 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 62.4 m -68.98 -42.29 76.73 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.701 0.286 . . . . 73.33 111.574 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 68.6 mt -59.78 -39.67 85.69 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.622 0.248 . . . . 70.41 111.283 177.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.5 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 61.8 mtt -51.48 -49.02 62.62 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.297 -0.41 . . . . 75.54 110.766 175.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 19.5 t70 -55.12 -52.65 62.59 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.873 -0.603 . . . . 71.41 111.153 177.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.449 ' NZ ' ' HB3' ' B' ' 65' ' ' LYS . 8.4 mtpm? -53.35 -34.49 57.77 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.237 0.541 . . . . 74.31 111.598 177.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.59 HD13 HD11 ' B' ' 10' ' ' ILE . 53.3 mt -81.77 -30.08 32.51 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.966 -0.561 . . . . 73.25 111.752 179.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' B' ' 63' ' ' MET . 51.9 mtt180 -70.65 -14.95 62.67 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.718 0.266 . . . . 74.11 111.718 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 1.5 mmmp? -72.46 -8.85 57.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.969 0.359 . . . . 73.42 111.969 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.8 t -86.95 119.59 35.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-O 121.207 0.527 . . . . 74.33 111.596 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -55.29 -33.7 63.48 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.007 0.743 . . . . 73.3 113.007 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.2 -9.63 86.85 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 121.075 -0.583 . . . . 72.02 114.553 -176.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 96.6 t -99.94 137.58 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 117.789 0.795 . . . . 71.11 111.786 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.99 -19.81 9.63 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.497 0.554 . . . . 73.05 112.497 178.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.589 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.5 p -126.75 118.94 25.73 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.185 0.517 . . . . 64.24 111.998 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 34.6 t -128.62 103.44 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.848 -0.797 . . . . 61.44 108.848 169.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -131.2 156.66 44.97 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.96 0.726 . . . . 62.31 112.96 -167.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.455 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 57.0 ttp85 -85.44 127.62 34.45 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.7 -0.682 . . . . 75.0 111.677 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' B' ' 9' ' ' ARG . 80.9 mt -77.87 99.25 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.047 -0.524 . . . . 73.23 110.317 173.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 43.4 t -69.06 -57.91 4.79 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.186 0.517 . . . . 73.1 111.297 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -93.59 97.17 10.32 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.288 -0.414 . . . . 75.22 110.139 175.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.5 mt -64.22 142.28 58.47 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.799 0.809 . . . . 74.23 112.768 -175.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -79.93 28.84 0.28 Allowed 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.14 -0.936 . . . . 61.52 111.227 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.403 ' NE2' ' HG3' ' B' ' 50' ' ' MET . 29.5 m-70 -108.47 -27.9 9.66 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.724 -0.671 . . . . 74.34 111.907 -173.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -74.94 35.6 0.11 Allowed 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.635 0.606 . . . . 64.31 112.635 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -78.2 105.89 9.74 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.504 -0.554 . . . . 71.53 109.504 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -55.84 80.61 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.981 1.474 . . . . 52.22 114.981 -165.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 50.1 -176.73 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.93 1.826 . . . . 63.44 115.93 165.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 8.1 m80 . . . . . 0 C--O 1.253 1.251 0 CA-C-N 114.469 -1.242 . . . . 75.33 110.467 173.423 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.2 mtp . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 112.117 0.414 . . . . 75.34 112.117 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.1 m -130.46 -28.96 2.02 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.099 0.476 . . . . 74.44 110.692 173.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 1.5 m-20 -60.77 150.01 33.86 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.698 -0.683 . . . . 73.31 112.462 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' HE2' ' HA ' ' A' ' 55' ' ' ASN . 52.0 p90 -142.23 163.94 31.51 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.993 -0.548 . . . . 64.12 110.797 176.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.81 HD22 HH11 ' A' ' 34' ' ' ARG . 55.8 tp -81.64 107.7 14.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.185 0.517 . . . . 74.52 110.341 176.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -96.85 159.13 15.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.687 -0.688 . . . . 70.02 112.094 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -134.53 143.54 15.24 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 115.983 -0.553 . . . . 44.2 112.802 178.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.52 HD12 HD23 ' A' ' 49' ' ' LEU . 53.6 mt -129.61 140.67 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 122.644 0.378 . . . . 73.13 110.782 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -115.9 126.81 54.4 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.788 0.327 . . . . 62.21 111.339 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.806 HD11 HD13 ' A' ' 66' ' ' LEU . 40.5 mt -123.6 117.31 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 116.24 -0.437 . . . . 74.42 111.236 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.633 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 95.9 t -120.23 120.44 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.43 0.633 . . . . 75.24 111.232 174.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.3 163.07 27.54 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.751 -0.659 . . . . 61.01 112.886 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.08 134.21 52.35 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 121.207 0.527 . . . . 74.12 111.8 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -70.65 110.58 5.56 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.123 -0.49 . . . . 53.11 111.552 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.482 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 14.6 mmmm -121.2 -178.11 3.69 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.54 0.686 . . . . 72.14 112.733 -178.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -42.94 -30.77 0.44 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.339 -1.301 . . . . 64.11 114.002 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.36 36.8 0.4 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.383 -0.913 . . . . 73.25 113.747 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.482 ' HG2' ' HB2' ' A' ' 15' ' ' LYS . 50.2 mmm -73.59 -50.84 19.16 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 117.231 0.515 . . . . 62.02 111.979 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.7 p -61.18 -29.31 69.72 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.221 0.534 . . . . 73.11 111.109 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -76.44 -48.74 18.64 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.945 -0.571 . . . . 74.42 110.893 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.473 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.4 pt20 -68.77 -38.56 80.15 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.386 -0.37 . . . . 65.42 111.822 -176.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 22' ' ' ILE . 11.2 mm -56.32 -54.33 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.927 0.394 . . . . 45.12 111.858 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.469 HG21 HG21 ' B' ' 23' ' ' THR . 13.7 m -74.44 -27.19 60.49 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.209 0.528 . . . . 64.54 110.29 178.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.45 -38.32 93.35 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.214 -0.517 . . . . 64.2 112.475 172.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 21' ' ' GLN . 96.1 t -70.84 -40.21 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 120.91 0.386 . . . . 75.2 110.7 174.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.495 HG21 HD13 ' A' ' 49' ' ' LEU . 65.1 mt -56.14 -45.2 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 112.0 0.37 . . . . 70.11 112.0 177.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.4 p -59.21 -21.72 59.92 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 120.777 0.322 . . . . 71.04 111.702 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -75.49 -11.88 60.12 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.234 0.457 . . . . 51.23 112.234 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -65.63 161.65 20.01 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.949 0.88 . . . . 71.41 113.276 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -24.42 54.36 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.675 -1.148 . . . . 73.44 111.142 -178.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -91.28 179.13 5.78 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.828 -0.623 . . . . 70.44 112.018 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -108.07 132.6 53.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.455 -0.338 . . . . 72.2 111.065 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.49 ' HA ' HG22 ' A' ' 51' ' ' ILE . 67.2 mt -74.68 108.22 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.77 0.319 . . . . 74.22 111.383 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.81 HH11 HD22 ' A' ' 5' ' ' LEU . 35.8 ttt180 -80.93 -30.71 35.27 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.144 0.497 . . . . 71.53 110.351 177.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.561 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 87.3 m -159.6 132.83 6.99 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.03 -0.532 . . . . 74.42 111.147 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.741 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.4 tp -132.56 128.72 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 120.797 0.332 . . . . 75.22 110.176 173.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -135.4 104.74 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 120.93 0.395 . . . . 64.31 111.359 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.689 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.7 tt -114.7 129.17 56.65 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 110.083 -0.34 . . . . 73.43 110.083 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -138.46 139.51 38.87 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.755 0.312 . . . . 74.31 111.229 176.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -101.93 122.59 44.32 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.279 0.562 . . . . 71.02 111.521 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.508 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -140.35 142.13 35.6 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.882 -0.599 . . . . 61.55 110.593 178.629 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.67 12.74 9.0 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.147 0.498 . . . . 73.44 111.515 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.27 1.09 64.87 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 121.316 -0.469 . . . . 63.12 113.213 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.8 mt -123.16 161.64 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 109.635 -0.506 . . . . 72.13 109.635 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 34.8 p90 -124.68 148.86 47.73 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.999 -0.438 . . . . 72.43 111.772 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.462 ' HB ' HG22 ' A' ' 11' ' ' VAL . 2.3 t -122.27 114.13 20.39 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.078 -0.51 . . . . 43.44 111.065 174.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.741 ' SG ' HD11 ' A' ' 36' ' ' ILE . 51.9 t -95.54 114.28 26.03 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.355 -0.384 . . . . 73.44 110.95 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.424 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.4 m-20 -99.58 106.68 18.69 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.318 -0.401 . . . . 63.22 110.737 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 8' ' ' ILE . 56.0 tp -98.41 129.82 45.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.952 0.406 . . . . 62.52 112.05 -177.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.561 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 66.5 mmm -121.81 111.94 17.75 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.922 0.392 . . . . 61.53 110.983 176.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.49 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.3 pp -141.42 159.29 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.27 -0.423 . . . . 65.22 111.822 -176.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.414 ' CE2' ' HD2' ' A' ' 34' ' ' ARG . 22.0 m-85 -88.95 135.25 33.64 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.828 0.347 . . . . 74.34 111.667 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 8.6 m -133.68 150.03 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 116.512 -0.313 . . . . 43.22 111.182 179.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -59.49 -43.67 93.26 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.011 0.434 . . . . 72.12 111.562 175.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.422 ' HA ' ' HE2' ' A' ' 4' ' ' PHE . 2.3 p-10 -166.1 167.24 16.53 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.212 -0.449 . . . . 63.02 111.083 178.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.9 p -51.59 -33.66 33.73 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.568 0.951 . . . . 62.13 113.568 -172.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.15 -45.1 83.86 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.599 0.714 . . . . 74.22 110.828 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -58.71 -40.64 84.26 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.511 -0.768 . . . . 62.22 111.232 174.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.476 HD22 ' HB1' ' A' ' 6' ' ' ALA . 53.7 tp -65.64 -44.94 84.9 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.954 -0.566 . . . . 62.5 111.932 -178.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.2 p -60.93 -36.02 78.23 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.83 0.348 . . . . 61.51 111.272 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.7 m -57.36 -44.94 84.78 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.292 -0.413 . . . . 75.14 111.504 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.8 mt -60.63 -48.3 82.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.894 0.378 . . . . 74.51 111.508 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.631 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 74.4 mtm -55.35 -43.5 75.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.399 -0.364 . . . . 73.21 111.282 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.64 -46.29 84.37 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.971 0.415 . . . . 72.51 110.814 176.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -55.98 -33.13 64.54 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.116 -0.493 . . . . 72.13 111.37 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.806 HD13 HD11 ' A' ' 10' ' ' ILE . 41.0 mt -80.53 -26.61 37.98 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.23 -0.441 . . . . 75.24 111.942 177.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.631 ' HG3' ' O ' ' A' ' 63' ' ' MET . 80.7 mtp180 -70.63 -7.95 48.09 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.94 0.4 . . . . 74.32 111.678 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.421 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 11.1 mmpt? -72.71 -18.36 61.54 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.555 0.576 . . . . 64.22 112.555 -178.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.425 HG21 HD13 ' A' ' 22' ' ' ILE . 93.6 t -79.76 116.78 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.986 0.422 . . . . 72.31 111.658 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -52.25 -32.73 38.44 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.245 0.832 . . . . 74.34 113.245 -177.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.58 -21.76 79.36 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.148 -0.548 . . . . 43.12 113.901 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.2 t -85.15 139.8 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 117.334 0.567 . . . . 61.24 112.075 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -122.56 -11.4 8.27 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.393 0.516 . . . . 70.11 112.393 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.633 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 7.6 p -132.59 119.41 20.44 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.096 0.474 . . . . 72.45 111.297 175.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.71 105.91 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.221 -0.445 . . . . 74.25 109.809 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -136.82 154.32 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.673 0.62 . . . . 75.41 112.673 -174.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HG3' HD21 ' A' ' 59' ' ' LEU . 42.1 ttp85 -80.71 142.63 33.68 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.415 -0.811 . . . . 74.43 111.718 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.69 116.87 29.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.338 -0.392 . . . . 75.43 110.627 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.1 p -82.93 -59.59 2.44 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.883 0.373 . . . . 71.24 111.739 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.16 119.42 26.42 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.204 -0.453 . . . . 61.42 111.508 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.5 mt -103.26 142.12 34.73 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.092 0.472 . . . . 64.02 111.825 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -89.35 7.65 34.69 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.838 -0.619 . . . . 73.34 111.33 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -75.59 86.46 2.67 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.06 -0.518 . . . . 63.23 111.749 -174.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -86.28 113.59 22.4 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.644 -0.253 . . . . 50.41 110.653 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -129.34 29.51 5.1 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.277 0.561 . . . . 71.44 111.099 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -76.21 108.9 9.46 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.781 -0.645 . . . . 72.35 110.945 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 85.3 t60 -74.38 74.59 1.89 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.243 0.544 . . . . 74.5 111.732 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 87' ' ' HIS . 57.3 t-80 . . . . . 0 C--O 1.252 1.19 0 CA-C-N 115.368 -0.833 . . . . 74.33 110.161 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptp . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.744 0.307 . . . . 72.53 111.613 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -82.27 -28.88 31.54 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.171 0.51 . . . . 71.01 111.183 173.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 4.2 m-20 -67.18 136.9 55.77 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.727 -0.669 . . . . 70.23 112.393 -177.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -123.93 154.49 39.68 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.16 -0.473 . . . . 70.24 109.793 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.3 tp -75.94 103.89 6.22 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.257 0.551 . . . . 71.42 111.419 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.18 151.66 19.6 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.887 -0.597 . . . . 75.52 111.944 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.47 129.58 6.29 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 121.375 -0.44 . . . . 74.44 113.098 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.541 HD12 HD23 ' B' ' 49' ' ' LEU . 45.9 mt -115.07 148.7 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 120.72 0.295 . . . . 44.12 111.367 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.403 ' NE ' HG23 ' B' ' 11' ' ' VAL . 2.5 tmm_? -120.96 118.18 29.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.707 0.289 . . . . 73.42 110.488 178.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.536 HD11 HD13 ' B' ' 66' ' ' LEU . 39.2 mt -118.43 118.49 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-N 116.522 -0.308 . . . . 52.05 111.303 -175.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.553 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 81.0 t -118.34 116.85 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.405 0.622 . . . . 63.23 111.569 176.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.94 167.16 24.96 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.552 -0.749 . . . . 73.34 112.685 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -76.84 143.27 39.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.736 0.643 . . . . 54.41 112.736 -176.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.13 83.51 0.34 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.019 -0.537 . . . . 75.31 112.318 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -104.15 163.26 12.52 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.615 0.969 . . . . 54.41 113.615 172.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -40.37 -35.57 0.44 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 113.561 -1.654 . . . . 40.23 114.488 -175.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -136.91 7.67 3.84 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.68 -0.772 . . . . 70.42 113.907 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.554 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 25.8 mmm -62.31 -51.01 69.35 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.364 0.505 . . . . 72.11 112.364 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 47.1 p -60.72 -36.05 77.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.883 0.373 . . . . 65.14 111.736 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -72.43 -45.64 58.7 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.135 0.493 . . . . 73.2 110.797 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.453 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.5 pt20 -69.47 -34.09 73.84 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.952 -0.567 . . . . 74.44 111.646 -176.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.404 ' O ' HG13 ' B' ' 26' ' ' ILE . 9.5 mm -62.29 -53.95 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 111.938 0.347 . . . . 65.02 111.938 -178.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.469 HG21 HG21 ' A' ' 23' ' ' THR . 4.2 m -73.44 -27.71 61.57 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.222 0.534 . . . . 73.11 110.265 178.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.5 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -61.72 -44.04 98.44 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.8 -0.636 . . . . 52.53 112.802 174.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 21' ' ' GLN . 73.2 t -68.62 -35.85 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 122.443 -0.445 . . . . 55.45 110.964 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.437 HG21 HD13 ' B' ' 49' ' ' LEU . 74.3 mt -59.31 -44.76 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 121.036 0.445 . . . . 74.22 111.474 175.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 55.5 p -60.94 -22.5 64.47 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.709 0.29 . . . . 64.51 111.295 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 61.0 mttp -82.89 3.81 28.21 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.524 0.565 . . . . 72.52 112.524 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -74.67 167.34 21.97 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.256 0.551 . . . . 72.32 112.112 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.76 -23.41 61.59 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.372 0.606 . . . . 71.33 111.239 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' THR . . . . . 0.541 HG21 HD13 ' B' ' 51' ' ' ILE . 7.8 t -91.85 156.57 17.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.731 -0.668 . . . . 72.23 112.396 -173.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -95.28 117.35 30.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.902 -0.59 . . . . 73.22 111.193 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.454 ' HA ' HG22 ' B' ' 51' ' ' ILE . 64.4 mt -52.85 108.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 116.104 -0.498 . . . . 72.42 111.571 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -83.4 -40.49 19.28 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.352 0.596 . . . . 61.4 110.307 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 88.5 m -152.16 132.35 13.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.743 -0.662 . . . . 70.21 110.702 173.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.689 HG22 ' HB3' ' A' ' 38' ' ' LEU . 9.8 tp -134.68 135.16 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.89 0.376 . . . . 61.03 110.522 176.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 85.4 t -127.7 145.35 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.344 -0.389 . . . . 65.22 110.584 178.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.508 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.1 tt -144.29 110.61 5.51 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.491 -0.559 . . . . 74.22 109.491 170.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 1.3 p-10 -124.46 119.7 29.91 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.428 0.632 . . . . 74.34 111.703 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.567 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -104.56 132.3 50.96 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.439 -0.8 . . . . 74.33 111.952 -178.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.444 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -144.65 145.57 31.82 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.966 -0.561 . . . . 70.25 111.162 175.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 73.66 -32.24 0.24 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.62 0.768 . . . . 63.1 112.784 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.99 1.52 1.32 Allowed Glycine 0 CA--C 1.529 0.907 0 N-CA-C 112.176 -0.37 . . . . 70.34 112.176 -172.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 mt -126.36 155.97 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.081 0.552 . . . . 61.33 110.129 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.567 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 40.6 p90 -126.38 145.46 50.45 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.182 0.515 . . . . 54.02 111.546 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.517 ' HB ' HG22 ' B' ' 11' ' ' VAL . 0.9 OUTLIER -116.28 108.48 16.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.278 0.561 . . . . 72.22 111.581 174.5 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.582 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.6 t -89.03 123.07 33.0 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.31 -0.404 . . . . 74.43 111.292 176.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.537 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 23.2 m-80 -104.74 112.15 25.14 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.818 0.342 . . . . 74.24 110.863 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.541 HD23 HD12 ' B' ' 8' ' ' ILE . 43.2 tp -99.11 126.0 44.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.058 0.392 . . . . 74.14 112.058 -177.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.454 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 62.0 mmm -123.29 106.96 11.15 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.959 0.409 . . . . 64.21 111.357 176.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.541 HD13 HG21 ' B' ' 31' ' ' THR . 2.7 pp -146.15 172.54 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.187 -0.46 . . . . 52.22 111.621 -177.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -97.01 136.12 38.03 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.059 0.457 . . . . 72.45 112.013 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 11.1 m -128.1 141.35 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.627 177.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.433 ' HE3' ' HB2' ' B' ' 54' ' ' LYS . 20.7 ptmt -68.37 -24.63 64.81 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.336 0.495 . . . . 72.41 112.336 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.433 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 11.7 p30 -165.97 163.24 18.42 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.007 0.373 . . . . 63.55 112.007 178.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -55.16 -35.28 64.6 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.214 0.82 . . . . 74.13 113.214 -175.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.88 -36.91 85.89 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.222 0.534 . . . . 63.12 110.548 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 51.2 tptt -58.02 -44.4 87.26 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.986 -0.552 . . . . 70.2 110.711 173.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.04 -47.56 84.17 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.03 -0.532 . . . . 74.35 111.26 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' THR . . . . . 0.446 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 81.8 p -65.58 -28.32 69.06 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.925 0.393 . . . . 52.12 111.224 178.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 84.9 m -67.2 -41.22 86.19 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.916 0.389 . . . . 71.25 110.729 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.8 -39.45 88.98 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.158 -0.474 . . . . 73.42 111.11 176.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.605 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 64.0 mtt -51.04 -54.86 20.96 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.234 -0.439 . . . . 74.05 110.868 176.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -55.93 -43.21 77.19 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.926 -0.579 . . . . 71.52 111.284 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -58.44 -37.01 74.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.217 0.532 . . . . 73.12 111.158 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.536 HD13 HD11 ' B' ' 10' ' ' ILE . 54.8 mt -79.3 -29.33 42.39 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.888 -0.596 . . . . 72.15 111.513 178.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' B' ' 63' ' ' MET . 70.7 mtp180 -73.74 -9.58 58.8 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.78 0.289 . . . . 74.04 111.78 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -72.32 -14.36 61.72 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 111.887 0.329 . . . . 72.23 111.887 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 50.5 t -82.22 120.63 34.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.073 0.463 . . . . 71.1 111.444 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -56.35 -34.71 66.87 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.772 0.656 . . . . 64.04 112.772 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.554 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -75.76 -16.28 80.76 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 114.344 0.497 . . . . 61.35 114.344 -175.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.425 HG23 ' HE1' ' B' ' 18' ' ' MET . 59.0 t -91.16 145.89 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 117.672 0.736 . . . . 74.12 111.462 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.41 -27.29 4.46 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.248 0.462 . . . . 63.14 112.248 174.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.553 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.3 p -118.85 126.29 51.47 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.083 0.401 . . . . 74.43 112.083 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.448 HG21 ' HG2' ' B' ' 67' ' ' ARG . 97.3 t -133.8 104.79 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 109.842 -0.429 . . . . 74.21 109.842 174.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -124.07 164.43 19.43 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.584 0.706 . . . . 63.11 112.812 -169.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.44 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 24.1 ttp85 -101.46 117.53 35.13 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.506 -0.77 . . . . 70.23 110.664 173.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.66 -53.89 29.08 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.083 0.401 . . . . 74.4 112.083 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' SER . . . . . 0.412 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 28.5 p 65.37 -62.42 0.22 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.887 0.875 . . . . 75.24 112.137 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -60.8 103.75 0.29 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.924 0.392 . . . . 74.11 111.096 174.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 79' ' ' SER . 78.8 mt -114.8 141.93 47.22 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.061 0.458 . . . . 63.54 111.868 -177.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -102.94 11.08 37.86 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.057 0.456 . . . . 74.51 110.997 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -59.67 -44.55 93.54 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.482 0.549 . . . . 44.12 112.482 -175.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -74.23 70.57 1.64 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.317 0.58 . . . . 63.23 110.065 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -62.14 90.88 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.624 -0.716 . . . . 73.12 111.355 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -68.33 106.64 2.55 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.73 0.641 . . . . 71.13 112.73 -176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -111.0 -34.79 6.11 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.904 -0.589 . . . . 71.24 110.1 169.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.611 -0.709 . . . . 74.42 111.286 177.865 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 120.809 0.338 . . . . 71.33 111.756 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 47.3 p -140.25 172.46 12.72 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.283 -0.417 . . . . 73.44 111.043 175.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -137.86 137.61 38.27 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.965 -0.383 . . . . 74.42 109.965 169.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 6' ' ' ALA . 53.3 p90 -130.7 154.36 48.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.164 0.507 . . . . 74.03 110.973 176.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 83' ' ' HIS . 52.7 tp -80.85 103.05 10.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.776 -0.647 . . . . 64.3 110.462 178.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.499 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -93.09 138.56 31.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.858 -0.61 . . . . 41.42 111.896 -176.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.28 147.51 18.92 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 121.118 -0.563 . . . . 75.14 113.192 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.4 mt -133.32 140.09 47.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 O-C-N 122.663 -0.316 . . . . 61.05 110.503 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.435 ' HB2' HD21 ' A' ' 78' ' ' LEU . 79.6 ttt180 -116.18 122.99 46.68 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.131 -0.355 . . . . 74.02 110.947 175.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.525 HD11 HD13 ' A' ' 66' ' ' LEU . 34.2 mt -111.27 116.77 53.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 116.326 -0.397 . . . . 62.34 110.878 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.627 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 69.3 t -121.03 117.87 54.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 121.773 0.797 . . . . 64.12 111.306 176.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.47 164.48 27.69 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 115.335 -0.848 . . . . 75.05 112.036 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.85 135.41 46.6 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 117.141 0.471 . . . . 72.32 111.27 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.22 90.9 0.15 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.013 0.435 . . . . 75.24 111.52 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.587 ' O ' ' N ' ' A' ' 17' ' ' GLY . 31.5 mmmt -103.35 127.79 50.6 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.324 -0.398 . . . . 74.14 111.672 176.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 47.97 -73.94 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.675 0 O-C-N 124.327 1.017 . . . . 72.53 113.377 164.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -155.15 34.55 0.66 Allowed Glycine 0 CA--C 1.527 0.83 0 CA-C-N 115.498 -0.774 . . . . 73.23 112.357 -177.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.56 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 67.9 mtp -64.71 -43.99 91.68 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.497 -0.413 . . . . 75.12 111.801 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.3 p -53.37 -29.89 36.77 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.059 0.457 . . . . 51.31 111.351 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.555 ' HA ' HD12 ' B' ' 33' ' ' ILE . 12.0 m120 -77.08 -49.54 15.08 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.123 -0.49 . . . . 50.53 111.217 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.56 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.7 pt20 -69.88 -38.73 76.46 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.314 -0.403 . . . . 74.4 111.662 -177.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.469 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 13.2 mm -55.84 -54.39 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 121.08 0.466 . . . . 72.53 111.603 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 m -74.74 -27.75 60.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.537 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.27 -48.51 85.61 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.182 -0.532 . . . . 52.43 112.568 174.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 21' ' ' GLN . 66.8 t -60.14 -39.38 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 120.915 0.388 . . . . 50.3 110.995 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.476 HG21 HD13 ' A' ' 49' ' ' LEU . 72.4 mt -60.22 -40.82 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 116.162 -0.472 . . . . 50.31 111.506 175.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.512 ' HB3' ' O ' ' B' ' 20' ' ' ASN . 4.7 m -52.9 -41.23 64.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.353 0.596 . . . . 55.22 111.463 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' NZ ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -97.63 26.77 4.77 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.587 -0.733 . . . . 70.51 112.381 -176.339 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -75.73 168.99 18.99 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.681 0.753 . . . . 62.45 112.12 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.474 ' HB3' ' NZ ' ' A' ' 58' ' ' LYS . 38.3 t70 -85.54 35.31 0.6 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.341 -0.845 . . . . 52.41 110.833 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.5 t -153.69 157.92 40.26 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.107 0.479 . . . . 71.21 111.583 175.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -91.28 118.17 30.27 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.897 0.379 . . . . 61.54 112.005 -176.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.484 ' HA ' HG22 ' A' ' 51' ' ' ILE . 61.3 mt -59.79 109.93 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.516 -0.311 . . . . 60.42 111.042 177.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -34.45 15.51 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.215 0.531 . . . . 71.34 110.568 177.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.548 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 16.3 m -153.97 147.61 25.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 74.2 110.199 175.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.594 HG22 ' HB3' ' B' ' 38' ' ' LEU . 19.6 tt -160.99 135.42 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.062 0.458 . . . . 72.04 111.373 174.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.469 HG13 HG22 ' B' ' 37' ' ' VAL . 60.4 t -133.85 105.11 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 116.216 -0.447 . . . . 53.24 111.363 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.557 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.0 tt -106.05 134.03 49.83 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 110.192 -0.299 . . . . 71.41 110.192 175.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -147.85 134.57 19.97 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.976 0.417 . . . . 71.13 110.975 173.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.706 ' HB3' ' HD3' ' B' ' 34' ' ' ARG . . . -99.76 128.59 45.85 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.046 0.45 . . . . 74.44 111.346 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -148.84 146.74 28.11 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.876 -0.602 . . . . 75.33 110.917 -175.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 57.85 26.59 13.44 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.362 0.601 . . . . 64.32 111.975 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.06 -11.21 70.07 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 121.996 -0.44 . . . . 73.32 113.141 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.443 HG22 ' H ' ' A' ' 45' ' ' PHE . 1.9 mt -108.65 178.46 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 122.791 0.436 . . . . 55.14 109.986 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 38.9 p90 -142.06 149.28 39.72 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 122.042 -0.411 . . . . 75.34 110.862 169.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 5.1 t -124.72 109.75 13.51 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.125 0.488 . . . . 61.44 111.208 175.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 38' ' ' LEU . 51.0 t -98.64 112.83 24.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.185 -0.461 . . . . 63.42 111.09 177.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.464 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 2.8 m-20 -98.28 109.03 21.85 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.342 -0.39 . . . . 73.21 111.233 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.476 HD13 HG21 ' A' ' 26' ' ' ILE . 50.1 tp -98.18 137.85 36.33 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.834 0.349 . . . . 73.23 111.893 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.548 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 67.7 mmm -129.68 111.89 13.12 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 116.412 -0.358 . . . . 71.32 111.12 176.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.484 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.7 pp -142.48 160.66 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-N 116.419 -0.355 . . . . 73.01 111.744 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -92.83 142.08 27.72 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.349 0.5 . . . . 72.32 112.349 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 m -142.12 152.85 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 115.859 -0.61 . . . . 42.54 110.838 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 12.9 ptmm? -73.37 -38.74 65.58 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.286 0.476 . . . . 73.45 112.286 176.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.476 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -157.17 162.19 39.34 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 111.729 0.27 . . . . 64.43 111.729 179.629 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.9 p -55.6 -33.01 63.57 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.826 1.047 . . . . 64.21 113.826 -171.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.3 -37.71 75.58 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.711 0.767 . . . . 72.13 110.472 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.474 ' NZ ' ' HB3' ' A' ' 30' ' ' ASP . 50.4 tptt -63.03 -39.91 96.15 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.93 -1.032 . . . . 64.35 111.219 175.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.499 HD22 ' HB1' ' A' ' 6' ' ' ALA . 67.7 tp -70.57 -46.49 63.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.94 0.4 . . . . 53.5 111.968 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.8 p -59.51 -28.34 66.97 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.406 -0.361 . . . . 72.31 111.75 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 96.8 m -59.34 -41.73 89.86 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.986 0.422 . . . . 74.13 111.018 175.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.63 -40.09 92.16 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.049 -0.523 . . . . 52.35 111.409 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.418 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 60.0 mtt -51.67 -52.43 48.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.135 0.493 . . . . 75.33 110.948 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.91 -44.29 86.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.772 -0.649 . . . . 62.44 111.101 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 61' ' ' THR . 8.2 mtpm? -58.06 -37.07 73.74 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.102 0.477 . . . . 75.24 111.702 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.525 HD13 HD11 ' A' ' 10' ' ' ILE . 54.9 mt -79.44 -30.95 42.45 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.106 0.479 . . . . 74.22 111.577 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 63' ' ' MET . 86.6 mtt180 -71.8 -6.83 44.41 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.305 0.484 . . . . 74.11 112.305 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -72.07 -16.54 62.03 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.934 0.346 . . . . 73.0 111.934 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.427 HG12 ' H ' ' A' ' 71' ' ' GLY . 94.6 t -76.42 119.53 24.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 121.451 0.643 . . . . 71.54 111.939 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -51.55 -30.27 20.05 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.746 1.017 . . . . 72.22 113.746 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.427 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -95.05 -5.49 60.82 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 114.627 0.611 . . . . 64.34 114.627 -174.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.4 t -94.51 133.48 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 117.955 0.877 . . . . 65.41 111.581 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -117.57 -8.96 10.88 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.727 0.64 . . . . 71.42 112.727 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.627 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.6 p -135.19 124.29 24.36 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.159 0.504 . . . . 61.12 111.676 175.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 66' ' ' LEU . 52.7 t -140.48 103.1 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 109.279 -0.637 . . . . 64.12 109.279 171.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -134.31 167.59 20.43 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.335 0.494 . . . . 74.22 112.335 -171.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 ttp85 -88.87 136.14 33.17 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.407 0.622 . . . . 74.23 111.945 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.435 HD21 ' HB2' ' A' ' 9' ' ' ARG . 98.0 mt -88.39 114.79 25.37 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.829 -0.623 . . . . 74.03 110.474 173.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.1 p -85.25 -65.35 1.02 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.061 0.458 . . . . 72.53 111.465 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -75.22 98.43 3.76 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.224 -0.444 . . . . 54.43 111.05 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.1 mt -86.4 152.26 22.86 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.483 0.549 . . . . 72.42 112.483 -174.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -84.72 15.65 3.74 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.897 -0.592 . . . . 73.01 111.572 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.435 ' CE1' HD21 ' A' ' 5' ' ' LEU . 17.6 m-70 -94.71 8.28 42.98 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.676 0.621 . . . . 72.44 112.676 -172.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -82.92 65.29 7.97 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.322 0.582 . . . . 54.41 111.225 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -80.67 -39.81 26.57 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.026 0.441 . . . . 62.42 110.205 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 70.0 t60 58.91 12.88 2.51 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.042 0.756 . . . . 75.53 113.042 168.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -73.95 106.06 5.48 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.932 0.396 . . . . 75.22 111.065 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 49.5 t60 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.917 -0.563 . . . . 74.33 111.086 -177.205 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.53 ' SD ' ' N ' ' B' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.75 0.309 . . . . 74.12 111.173 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 51.4 m -82.82 -26.03 32.11 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.272 0.558 . . . . 72.54 110.336 174.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -90.35 150.01 22.06 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.722 -0.672 . . . . 62.2 111.21 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -129.97 154.76 47.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.84 -0.429 . . . . 61.34 109.84 175.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 46.0 tp -79.56 102.98 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.321 0.581 . . . . 74.55 110.806 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.434 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -94.96 142.79 27.06 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.682 -0.69 . . . . 75.01 111.86 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.34 136.8 13.13 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 121.381 -0.438 . . . . 73.41 112.828 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.62 HD12 HD23 ' B' ' 49' ' ' LEU . 48.7 mt -124.04 143.89 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 121.015 0.436 . . . . 72.42 111.118 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -117.55 117.8 30.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.924 0.392 . . . . 75.5 110.902 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' B' ' 46' ' ' THR . 40.9 mt -112.02 117.75 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 116.285 -0.416 . . . . 51.53 111.075 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.593 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 50.4 t -122.15 113.77 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 121.442 0.639 . . . . 72.42 111.415 176.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.72 172.19 23.45 Favored Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.471 -0.786 . . . . 21.23 112.498 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.56 134.98 43.89 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.216 0.531 . . . . 65.41 112.211 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -70.1 117.63 11.92 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.339 -0.391 . . . . 74.11 110.947 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.463 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 47.9 mtpt -143.17 174.9 10.29 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.891 1.071 . . . . 72.43 113.891 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -31.57 -36.72 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 113.424 -1.716 . . . . 74.42 115.158 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.41 29.97 0.46 Allowed Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.628 -0.796 . . . . 63.42 113.343 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.463 ' HG2' ' HB2' ' B' ' 15' ' ' LYS . 48.8 mmm -73.43 -50.97 18.97 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.37 0.507 . . . . 73.51 112.37 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -63.55 -27.07 69.01 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.316 0.579 . . . . 64.43 110.726 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.512 ' O ' ' HB3' ' A' ' 27' ' ' SER . 15.0 m120 -76.04 -48.52 20.58 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.582 -0.736 . . . . 61.44 111.048 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.0 pt20 -66.29 -39.42 89.37 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.847 0.356 . . . . 64.42 111.706 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.508 ' O ' HG12 ' B' ' 26' ' ' ILE . 13.2 mm -59.19 -54.12 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 112.485 0.55 . . . . 63.15 112.485 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 22.4 m -70.6 -27.37 64.04 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.107 0.479 . . . . 71.52 110.728 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.9 -45.57 96.29 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.128 -0.558 . . . . 73.32 111.911 171.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 21' ' ' GLN . 92.5 t -62.34 -34.35 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 120.824 0.345 . . . . 73.31 111.327 175.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.78 HD12 HD22 ' B' ' 49' ' ' LEU . 49.9 mm -58.53 -44.32 88.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-O 120.94 0.4 . . . . 63.31 111.331 176.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 54.8 p -63.61 -21.47 66.38 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.955 0.407 . . . . 63.41 111.467 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' B' ' 25' ' ' VAL . 26.7 mtpp -79.87 -4.88 54.16 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 116.2 -0.454 . . . . 73.33 112.081 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -69.38 169.21 12.8 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.025 0.75 . . . . 73.3 113.025 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.24 -12.48 60.0 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.396 -0.82 . . . . 65.21 111.597 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -115.77 172.19 7.29 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.142 0.793 . . . . 73.43 113.142 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ASN . . . . . 0.493 ' O ' HG22 ' B' ' 51' ' ' ILE . 22.6 t-20 -97.87 129.77 44.8 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.564 -0.744 . . . . 74.14 111.572 -174.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 20' ' ' ASN . 66.6 mt -69.81 98.81 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.028 0.442 . . . . 72.4 110.976 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ARG . . . . . 0.706 ' HD3' ' HB3' ' A' ' 40' ' ' ALA . 5.4 tpp180 -83.45 -30.59 27.14 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.267 0.556 . . . . 54.12 110.738 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.558 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 9.7 m -156.77 148.6 22.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.862 -0.608 . . . . 63.53 110.267 173.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.557 HG22 ' HB3' ' A' ' 38' ' ' LEU . 17.4 tt -157.23 133.29 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-O 120.956 0.408 . . . . 70.2 111.38 173.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.469 HG22 HG13 ' A' ' 37' ' ' VAL . 77.1 t -130.0 104.38 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 116.269 -0.423 . . . . 73.31 111.433 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.594 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.8 tt -110.16 131.69 54.83 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.211 -0.305 . . . . 70.01 110.658 177.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -147.96 145.71 28.68 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.551 -0.295 . . . . 74.42 110.668 173.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -114.45 120.23 39.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.193 0.521 . . . . 73.11 111.723 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.84 152.27 46.36 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.999 -0.546 . . . . 64.33 110.112 176.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 63.53 16.7 9.82 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 112.082 0.401 . . . . 71.11 112.082 -178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.25 12.79 81.79 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 121.136 -0.554 . . . . 62.22 112.801 -175.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.1 mt -131.37 155.58 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 122.952 0.501 . . . . 62.32 109.723 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.499 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.4 p90 -124.23 145.8 49.13 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.943 -0.473 . . . . 71.31 111.39 179.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 2.5 t -120.27 108.87 14.7 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.146 -0.479 . . . . 51.43 111.009 174.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' CYS . . . . . 0.439 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.2 t -95.84 105.72 17.76 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.144 0.497 . . . . 51.22 111.459 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 14.5 m120 -83.32 107.81 16.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.964 -0.562 . . . . 61.41 110.999 176.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.78 HD22 HD12 ' B' ' 26' ' ' ILE . 57.1 tp -98.68 134.55 41.44 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.857 0.36 . . . . 55.04 111.855 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.558 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 65.8 mmm -126.05 110.82 13.99 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.958 0.409 . . . . 73.22 110.908 175.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.493 HG22 ' O ' ' B' ' 32' ' ' ASN . 2.3 pp -140.55 164.42 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 116.221 -0.445 . . . . 53.21 111.632 -177.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -97.17 130.76 44.38 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 120.752 0.311 . . . . 71.21 111.752 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.408 HG21 ' HB2' ' B' ' 59' ' ' LEU . 3.5 m -131.92 148.2 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 120.974 0.416 . . . . 55.1 111.247 177.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -74.91 -35.49 62.21 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.558 0.577 . . . . 74.11 112.558 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -136.7 151.16 48.95 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 122.178 -0.326 . . . . 63.14 111.103 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.9 p -62.34 -20.21 64.15 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.999 0.428 . . . . 74.14 110.969 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.36 -41.43 73.12 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.655 0.74 . . . . 74.31 109.629 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -59.6 -37.83 79.62 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.995 -1.002 . . . . 72.34 110.765 173.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.434 HD13 ' HB1' ' B' ' 6' ' ' ALA . 50.1 tp -67.98 -48.45 65.76 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.953 -0.567 . . . . 54.44 111.629 178.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 69.4 p -60.51 -40.06 90.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.725 0.298 . . . . 73.31 110.84 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 85.6 m -53.06 -45.52 68.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.082 -0.508 . . . . 74.21 111.527 175.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 47.5 mt -59.91 -47.56 85.26 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.845 0.355 . . . . 75.43 111.476 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.519 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 79.5 mtm -59.43 -39.33 83.17 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.5 -0.318 . . . . 52.2 111.179 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.24 -47.91 82.06 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.027 0.442 . . . . 73.13 111.206 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' B' ' 65' ' ' LYS . 8.6 mtpm? -54.86 -40.29 69.52 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.921 -0.581 . . . . 73.31 111.578 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.547 ' HB2' HG11 ' B' ' 75' ' ' VAL . 67.1 mt -75.17 -29.68 60.5 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.979 -0.555 . . . . 73.41 111.87 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' B' ' 63' ' ' MET . 98.8 mtt180 -70.92 -8.29 51.92 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 120.719 0.295 . . . . 75.53 111.74 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -83.43 2.83 34.7 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.063 0.459 . . . . 75.14 111.361 176.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.422 HG12 ' H ' ' B' ' 71' ' ' GLY . 62.9 t -88.62 116.74 30.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 116.352 -0.385 . . . . 71.14 110.782 176.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -64.99 -13.71 58.42 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.729 0.64 . . . . 53.12 112.729 -173.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.448 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -93.46 -10.85 58.89 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 121.042 -0.599 . . . . 43.21 113.811 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 94.8 t -105.07 134.03 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 O-C-N 122.252 -0.557 . . . . 62.23 111.691 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.9 -16.36 13.56 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.542 0.571 . . . . 75.21 112.542 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.593 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.1 p -132.4 123.62 27.09 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.166 0.507 . . . . 72.52 111.825 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.547 HG11 ' HB2' ' B' ' 66' ' ' LEU . 25.4 t -136.01 103.5 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.95 -0.759 . . . . 73.21 108.95 171.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -133.99 160.16 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.273 0.558 . . . . 55.14 112.165 -168.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -83.48 148.86 26.99 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.881 -0.599 . . . . 70.52 112.143 -176.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.5 mt -104.0 128.66 51.57 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.027 -0.533 . . . . 71.21 110.814 175.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 79.3 p -97.83 -39.84 8.82 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.924 0.392 . . . . 71.42 111.662 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -101.07 129.78 47.0 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.954 0.407 . . . . 65.1 111.18 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -122.45 153.37 39.22 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.884 0.373 . . . . 73.35 111.537 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -82.19 2.62 30.78 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.514 0.673 . . . . 72.11 110.603 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -74.42 -27.86 60.81 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.475 -0.784 . . . . 72.32 110.934 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -165.42 129.63 2.35 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.865 -0.607 . . . . 73.35 110.227 175.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -148.49 100.66 3.15 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.004 0.43 . . . . 65.3 110.08 -177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -79.95 68.76 6.15 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.897 0.703 . . . . 61.11 112.897 -168.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 48.7 38.85 12.42 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.202 1.186 . . . . 65.42 114.202 172.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.148 -0.93 . . . . 75.54 111.503 171.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 121.134 0.492 . . . . 74.43 111.403 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 51' ' ' ILE . 58.9 tp -79.13 102.69 8.6 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.87 -0.604 . . . . 73.23 110.578 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.511 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -93.71 128.72 40.05 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.88 -0.6 . . . . 71.12 112.112 -177.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.33 144.06 15.74 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.294 -0.412 . . . . 53.34 113.008 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.5 mt -133.0 138.84 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 122.626 0.37 . . . . 61.45 110.973 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -116.49 119.23 34.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.165 0.507 . . . . 72.11 111.525 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.627 HD11 HD13 ' A' ' 66' ' ' LEU . 43.6 mt -113.4 120.0 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.826 -0.624 . . . . 71.23 111.286 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.601 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.7 t -118.46 117.18 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 121.504 0.669 . . . . 74.54 111.193 173.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.53 169.19 23.89 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.578 -0.737 . . . . 62.32 112.153 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -73.2 131.16 41.67 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.096 0.474 . . . . 74.42 111.725 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.04 85.59 0.05 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.465 0.65 . . . . 71.53 110.951 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 17' ' ' GLY . 13.9 mttp -106.67 159.14 16.43 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 114.38 1.252 . . . . 73.33 114.38 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.06 73.99 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 112.805 -1.998 . . . . 74.21 112.212 174.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . 133.56 -22.9 3.86 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 115.473 -0.785 . . . . 73.43 114.037 173.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.502 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 49.5 mmm -55.24 -51.44 66.61 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.939 0.718 . . . . 74.14 112.939 -176.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -57.37 -31.44 65.78 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.003 0.371 . . . . 62.04 112.003 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -76.33 -48.54 19.67 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.06 0.457 . . . . 74.45 110.92 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.1 pt20 -66.93 -37.5 84.45 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.063 -0.517 . . . . 44.21 111.661 -176.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.439 HG13 ' HZ ' ' A' ' 45' ' ' PHE . 12.3 mm -59.37 -54.24 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 112.495 0.554 . . . . 64.04 112.495 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.3 m -73.9 -27.42 61.04 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.213 0.53 . . . . 72.24 110.503 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.81 -39.0 96.18 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 121.219 -0.515 . . . . 74.34 112.355 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 21' ' ' GLN . 64.5 t -67.09 -40.38 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.873 0.368 . . . . 52.54 111.198 174.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.487 HG21 HD13 ' A' ' 49' ' ' LEU . 70.8 mt -55.13 -46.31 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.061 -0.518 . . . . 74.34 112.099 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.3 p -59.39 -20.88 58.29 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.984 0.365 . . . . 61.32 111.984 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -80.27 -5.57 56.46 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.541 0.571 . . . . 74.51 112.541 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -70.57 166.89 19.65 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.313 0.578 . . . . 54.24 112.439 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -84.36 11.51 8.32 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.063 -0.517 . . . . 64.23 111.825 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 t -124.65 155.86 38.49 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.135 0.493 . . . . 73.03 112.209 -175.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -90.58 130.44 36.61 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.137 -0.483 . . . . 71.41 111.691 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.501 ' HA ' HG22 ' A' ' 51' ' ' ILE . 66.6 mt -68.07 113.1 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.051 -0.522 . . . . 70.11 111.269 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -88.4 -35.61 17.02 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.33 0.586 . . . . 73.42 110.387 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 89.7 m -158.15 132.28 8.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.67 -0.695 . . . . 73.3 110.884 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.727 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.1 tp -131.64 128.17 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 110.189 -0.3 . . . . 72.32 110.189 175.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.584 HG22 HG13 ' B' ' 37' ' ' VAL . 62.5 t -130.23 103.4 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.962 0.41 . . . . 64.12 111.521 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.8 tt -110.37 130.32 55.58 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.804 -0.443 . . . . 73.54 109.804 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.443 ' HB3' HG23 ' B' ' 35' ' ' THR . 0.2 OUTLIER -151.79 139.26 19.54 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.092 0.473 . . . . 53.53 112.034 174.44 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -94.92 145.69 24.74 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.766 -0.652 . . . . 74.54 110.416 178.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -116.69 -74.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.931 0.872 . . . . 73.31 112.566 -171.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -136.9 80.91 1.84 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.849 -1.069 . . . . 54.12 110.236 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.71 -2.78 14.78 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 120.94 -0.648 . . . . 73.11 113.101 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -124.22 159.54 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 109.662 -0.496 . . . . 71.4 109.662 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.526 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 31.3 p90 -133.24 140.98 47.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 64.51 110.524 176.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.534 ' HB ' HG22 ' A' ' 11' ' ' VAL . 6.2 t -118.28 117.9 30.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.075 0.464 . . . . 75.42 111.408 174.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.727 ' SG ' HD11 ' A' ' 36' ' ' ILE . 45.3 t -105.63 124.21 49.18 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.049 -0.523 . . . . 30.32 111.075 176.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.407 ' O ' HD12 ' A' ' 36' ' ' ILE . 78.1 m-20 -105.74 117.0 32.89 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.636 0.255 . . . . 74.43 110.763 179.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 26' ' ' ILE . 52.7 tp -98.8 128.09 44.92 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.027 0.442 . . . . 71.42 111.921 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.474 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.3 mmm -120.58 109.66 15.51 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.1 -0.5 . . . . 72.14 110.847 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.501 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -140.08 176.57 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 116.002 -0.544 . . . . 62.0 111.523 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -109.6 143.99 38.54 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.059 0.457 . . . . 73.44 111.636 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.3 m -143.03 141.61 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 116.275 -0.42 . . . . 71.51 110.375 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 53.6 mttm -68.46 -45.88 71.27 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.58 0.705 . . . . 74.31 111.508 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.402 ' ND2' ' HB2' ' A' ' 54' ' ' LYS . 15.7 m-80 -128.52 147.97 50.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.493 -0.776 . . . . 64.03 111.084 -170.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.9 p -61.62 -26.38 67.95 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.012 0.434 . . . . 60.52 111.184 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.01 -40.46 87.31 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.837 0.827 . . . . 65.31 109.739 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -59.45 -31.39 69.26 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.15 -0.932 . . . . 63.24 111.131 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.511 HD13 ' HB1' ' A' ' 6' ' ' ALA . 39.4 tp -76.56 -48.32 19.69 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.431 -0.349 . . . . 74.23 111.609 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -59.54 -30.63 68.75 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.133 0.492 . . . . 71.33 110.953 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 90.8 m -63.95 -39.4 94.07 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.789 -0.642 . . . . 71.34 111.501 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.83 -39.58 89.57 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.79 0.328 . . . . 72.22 111.137 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.614 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 56.8 mtt -54.75 -55.08 33.78 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.388 -0.369 . . . . 71.42 110.541 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -54.36 -36.38 63.79 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.883 -0.598 . . . . 74.55 111.627 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -65.54 -40.92 93.46 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.105 -0.498 . . . . 71.11 111.671 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.627 HD13 HD11 ' A' ' 10' ' ' ILE . 64.7 mt -77.34 -30.77 54.09 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.127 0.489 . . . . 62.41 111.836 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.614 ' HG3' ' O ' ' A' ' 63' ' ' MET . 76.3 mtp180 -71.27 -7.62 48.16 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.202 -0.454 . . . . 72.42 112.074 -178.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -71.51 -9.75 58.69 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.078 0.399 . . . . 72.24 112.078 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -92.46 118.32 37.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.215 0.531 . . . . 74.54 111.778 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -60.7 -28.42 68.63 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.709 -0.678 . . . . 74.01 112.498 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.31 -16.67 79.75 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.127 -0.559 . . . . 74.42 113.761 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 93.8 t -94.56 139.78 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 117.214 0.507 . . . . 70.31 111.405 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.16 -14.16 8.41 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.552 0.575 . . . . 74.13 112.552 177.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.601 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.6 p -131.26 124.0 29.58 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.803 -0.561 . . . . 72.43 111.644 175.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.2 t -132.06 103.32 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 116.138 -0.483 . . . . 53.33 109.781 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -124.27 165.68 17.21 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.627 0.602 . . . . 73.24 112.627 -170.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.522 ' HG3' HH11 ' A' ' 77' ' ' ARG . 15.8 ttt85 -97.49 132.82 42.82 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.876 -0.602 . . . . 75.43 111.424 174.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 98.4 mt -89.81 103.02 15.72 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.97 0.414 . . . . 50.31 110.72 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.1 p -81.38 -60.88 2.11 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.862 0.363 . . . . 75.24 111.504 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -69.86 105.15 2.69 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.326 0.584 . . . . 72.41 111.18 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.4 mt . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 121.284 0.564 . . . . 73.21 112.132 -177.227 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.558 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 11.5 p-10 . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 120.902 0.382 . . . . 70.21 111.549 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -155.19 157.89 38.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.954 0.407 . . . . 72.23 110.836 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 43.8 tp -79.34 102.99 8.96 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.082 0.468 . . . . 72.03 111.139 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.435 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -93.61 148.16 22.35 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.179 -0.464 . . . . 61.42 111.526 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.77 141.38 14.94 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.308 -0.473 . . . . 75.51 113.5 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.484 HD12 HD23 ' B' ' 49' ' ' LEU . 48.3 mt -129.62 149.22 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 122.953 0.501 . . . . 63.42 110.162 176.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.552 ' HB3' ' HG3' ' B' ' 76' ' ' GLU . 43.7 ttt-85 -130.23 119.88 23.6 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.795 0.331 . . . . 64.13 110.7 177.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.599 HD11 HD13 ' B' ' 66' ' ' LEU . 43.6 mt -113.19 117.1 54.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 116.473 -0.331 . . . . 63.12 111.348 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.627 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 43.3 t -115.5 113.83 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.759 0.79 . . . . 64.0 111.066 174.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.44 171.67 22.48 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 115.277 -0.874 . . . . 55.32 112.018 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.46 132.13 46.47 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.28 0.562 . . . . 74.5 112.008 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -73.19 87.16 1.43 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.195 0.521 . . . . 62.43 111.961 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -105.21 156.11 18.42 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.757 1.021 . . . . 73.43 113.757 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.32 69.01 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 113.937 -1.483 . . . . 72.45 112.006 173.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.79 -36.51 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 CA-C-N 115.509 -0.769 . . . . 64.31 112.894 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.535 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 63.3 mmm -54.41 -51.12 65.91 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.736 0.643 . . . . 72.53 112.736 -179.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 75.5 p -58.49 -31.92 68.31 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.956 0.408 . . . . 53.11 111.812 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -76.53 -48.78 18.28 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.345 -0.389 . . . . 72.1 111.079 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.535 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 10.0 pt20 -65.73 -39.96 91.69 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.158 -0.474 . . . . 50.14 111.362 -177.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.419 HG13 ' CZ ' ' B' ' 45' ' ' PHE . 12.9 mm -60.08 -53.95 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 112.373 0.509 . . . . 74.44 112.373 -177.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 19.1 m -71.82 -27.12 62.7 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.115 0.483 . . . . 72.43 110.367 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.29 91.77 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 121.127 -0.559 . . . . 72.42 112.462 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 21' ' ' GLN . 95.1 t -59.12 -39.46 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.382 0.611 . . . . 45.41 110.928 174.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.474 HG21 HD13 ' B' ' 49' ' ' LEU . 71.5 mt -64.57 -43.74 96.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 115.945 -0.571 . . . . 73.42 112.008 177.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 84.5 p -65.72 -22.76 66.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.003 0.372 . . . . 64.52 112.003 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' B' ' 25' ' ' VAL . 20.5 ptmt -97.46 13.19 30.71 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 111.934 0.346 . . . . 72.24 111.934 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -66.33 179.2 1.02 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.696 0.76 . . . . 72.12 111.931 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -26.23 34.85 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.395 -0.82 . . . . 72.34 110.944 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.5 t -96.0 171.26 8.74 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.549 -0.75 . . . . 61.55 112.661 -173.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -99.95 131.97 45.59 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.308 -0.406 . . . . 54.54 111.268 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.464 ' HA ' HG22 ' B' ' 51' ' ' ILE . 58.5 mt -81.9 105.7 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.448 -0.342 . . . . 75.4 111.884 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.06 -23.34 22.57 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.99 -0.443 . . . . 73.14 111.747 178.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 18.6 m -156.09 144.4 19.94 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.645 0.259 . . . . 53.15 110.891 173.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.518 HG22 ' HB3' ' A' ' 38' ' ' LEU . 20.3 tt -160.48 129.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.88 0.372 . . . . 63.32 111.031 173.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.584 HG13 HG22 ' A' ' 37' ' ' VAL . 59.9 t -128.88 104.0 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 120.863 0.363 . . . . 63.23 111.509 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.677 ' HB3' HG22 ' A' ' 36' ' ' ILE . 7.5 tt -106.19 125.07 50.54 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.534 -0.543 . . . . 64.22 109.534 174.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -136.03 120.98 18.71 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.208 0.528 . . . . 63.34 111.367 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -92.99 110.72 22.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.691 -0.686 . . . . 54.44 110.482 176.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -126.07 135.54 51.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.916 -0.584 . . . . 73.2 111.089 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.4 t70 70.11 -31.4 0.22 Allowed 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.213 0.819 . . . . 44.34 113.213 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.47 -8.18 0.46 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 122.169 -0.332 . . . . 51.24 112.623 -174.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.6 159.58 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 122.423 -0.457 . . . . 54.12 110.268 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.537 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 31.9 p90 -126.06 143.31 51.16 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.136 -0.352 . . . . 65.23 111.379 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.5 t -119.58 105.83 11.59 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.091 0.472 . . . . 73.24 111.251 174.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' B' ' 38' ' ' LEU . 44.1 t -95.09 105.84 17.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.003 0.43 . . . . 71.44 111.112 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.479 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 2.2 m-20 -91.04 110.01 21.27 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.9 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.484 HD23 HD12 ' B' ' 8' ' ' ILE . 40.9 tp -98.21 135.41 39.9 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.995 0.426 . . . . 70.53 111.941 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.586 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 61.5 mmm -129.87 113.06 14.19 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.341 -0.391 . . . . 75.11 111.254 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -143.55 160.32 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.147 -0.479 . . . . 52.3 111.844 -175.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -90.68 132.19 35.94 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.952 0.406 . . . . 70.33 111.636 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 23.2 m -124.83 155.9 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 116.363 -0.381 . . . . 74.42 111.272 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -82.78 -17.75 43.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.724 0.297 . . . . 73.42 111.797 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -166.99 169.04 13.34 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.023 0.439 . . . . 72.1 111.81 -176.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 56.2 p -69.82 -31.11 68.81 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.288 -0.414 . . . . 73.12 111.614 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.19 -36.58 84.52 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.622 0.725 . . . . 70.2 110.25 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -57.93 -44.3 86.8 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.312 -0.858 . . . . 75.12 110.965 173.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.435 HD13 ' HB1' ' B' ' 6' ' ' ALA . 52.5 tp -64.74 -46.68 81.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.094 -0.503 . . . . 52.44 111.467 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 82.5 p -63.49 -29.54 70.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.814 0.34 . . . . 72.4 111.546 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 98.8 m -65.81 -43.42 88.68 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.92 0.39 . . . . 64.23 111.516 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.1 -36.14 76.77 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.488 -0.324 . . . . 64.23 111.418 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.409 ' CE ' ' HB2' ' B' ' 77' ' ' ARG . 60.2 mtt -54.1 -51.4 64.29 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.996 0.427 . . . . 71.42 111.065 176.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.07 -36.51 81.88 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.028 -0.533 . . . . 64.04 111.297 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -63.11 -37.77 88.53 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.097 -0.501 . . . . 43.32 111.26 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.599 HD13 HD11 ' B' ' 10' ' ' ILE . 58.7 mt -77.86 -35.05 51.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.025 -0.534 . . . . 61.15 111.68 179.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -64.88 -6.83 9.17 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.371 0.508 . . . . 74.01 112.371 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -70.89 -13.87 62.18 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.884 0.373 . . . . 74.41 111.832 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 44.8 t -92.12 111.92 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 120.921 0.391 . . . . 63.23 111.205 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -58.37 -27.72 64.48 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.622 0.601 . . . . 74.23 112.622 -175.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.82 -23.32 75.77 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 121.215 -0.516 . . . . 45.12 113.513 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 84.0 t -88.44 135.91 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 122.468 -0.431 . . . . 64.01 111.395 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -116.09 -16.43 11.03 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.422 0.527 . . . . 61.03 112.422 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.627 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 4.6 p -129.81 119.15 22.91 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.169 0.509 . . . . 72.25 111.724 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.1 t -126.35 103.86 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.296 -0.631 . . . . 73.51 109.296 169.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.552 ' HG3' ' HB3' ' B' ' 9' ' ' ARG . 8.1 pt-20 -128.78 160.81 31.39 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.364 0.602 . . . . 72.12 112.542 -169.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.409 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 20.0 ttp85 -90.98 144.55 25.55 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.777 -0.647 . . . . 72.4 111.95 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' B' ' 9' ' ' ARG . 98.5 mt -101.38 99.37 9.72 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.216 -0.447 . . . . 54.31 110.8 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 77.3 p -73.11 -57.8 3.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.276 0.56 . . . . 74.14 110.651 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -79.08 118.05 20.7 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.686 -0.688 . . . . 62.03 110.453 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 44.6 mt . . . . . 0 N--CA 1.467 0.402 0 CA-C-O 121.945 0.878 . . . . 50.42 113.066 -174.389 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.8 p90 . . . . . 0 C--O 1.235 0.313 0 CA-C-O 121.19 0.519 . . . . 70.44 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.3 tp -76.05 103.86 6.31 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.302 0.572 . . . . 54.31 111.276 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.455 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -98.12 142.29 29.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.748 -0.66 . . . . 70.42 111.858 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.52 149.67 18.25 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 121.257 -0.497 . . . . 73.12 113.054 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.42 HD12 HD23 ' A' ' 49' ' ' LEU . 28.5 mt -136.47 144.93 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 O-C-N 122.665 -0.315 . . . . 73.12 110.755 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.559 ' HB2' HD21 ' A' ' 78' ' ' LEU . 46.6 ttt180 -121.21 120.21 34.55 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.208 -0.308 . . . . 74.51 110.699 175.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.685 HD11 HD13 ' A' ' 66' ' ' LEU . 45.1 mt -109.59 117.08 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.373 -0.376 . . . . 74.32 111.247 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.641 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 70.6 t -119.97 115.43 47.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.58 0.705 . . . . 72.43 111.0 174.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.51 169.88 25.33 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 115.642 -0.708 . . . . 62.2 112.614 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -70.8 126.15 28.79 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.374 0.607 . . . . 50.02 111.412 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.66 102.21 5.27 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.413 -0.358 . . . . 61.23 111.14 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 18' ' ' MET . 0.0 OUTLIER -160.21 156.64 26.88 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.045 0.387 . . . . 71.54 112.045 178.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 52.98 26.6 4.85 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 112.916 0.71 . . . . 74.21 112.916 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.408 ' HA2' ' OD1' ' B' ' 32' ' ' ASN . . . 69.58 34.08 72.79 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.039 -0.6 . . . . 25.3 112.959 -177.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 35.0 mtp -57.41 -31.84 66.24 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.171 0.434 . . . . 71.02 112.171 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.8 p -58.46 -40.79 83.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.755 0.312 . . . . 72.51 111.488 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.35 -48.7 69.37 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.228 0.537 . . . . 64.42 110.662 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.482 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.9 pt20 -66.61 -37.66 85.35 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.73 -0.668 . . . . 73.53 111.329 -177.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.511 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 14.3 mm -61.74 -53.74 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 111.826 0.306 . . . . 70.5 111.826 -177.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.561 HG21 HG21 ' B' ' 23' ' ' THR . 6.2 m -72.94 -27.88 62.1 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.354 -0.539 . . . . 70.43 110.426 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.54 -50.24 66.79 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.139 -0.553 . . . . 33.41 112.164 172.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.541 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 94.6 t -59.19 -41.77 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.881 0.372 . . . . 52.32 111.289 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.498 HG21 HD13 ' A' ' 49' ' ' LEU . 67.0 mt -56.01 -43.96 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.229 -0.441 . . . . 61.12 111.786 176.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 m -53.35 -30.39 39.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.046 0.45 . . . . 73.4 111.841 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.541 ' HE3' ' HA ' ' A' ' 25' ' ' VAL . 5.5 mtmp? -81.18 -8.73 59.81 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.704 0.631 . . . . 65.3 112.704 -171.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -61.01 159.16 12.01 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.541 0.686 . . . . 73.43 112.81 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.92 -8.18 34.59 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.341 -0.845 . . . . 64.33 111.8 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.4 t -113.21 168.54 9.63 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.312 0.577 . . . . 52.15 112.116 -174.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -98.8 131.52 44.86 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.061 -0.518 . . . . 73.34 111.453 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.71 108.64 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 120.839 0.352 . . . . 74.22 110.918 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -89.29 -33.44 16.94 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.241 0.543 . . . . 64.22 111.049 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 26.0 m -158.36 148.05 19.64 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.025 -0.534 . . . . 70.45 110.131 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.541 HG22 ' HB3' ' B' ' 38' ' ' LEU . 17.8 tt -159.03 140.82 4.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.04 0.448 . . . . 64.24 112.151 175.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.5 t -136.51 104.88 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 115.858 -0.61 . . . . 75.33 111.187 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.67 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.7 tt -113.71 118.58 34.73 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 122.099 -0.376 . . . . 72.42 110.359 176.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -140.97 138.48 33.79 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.2 0.524 . . . . 55.5 111.52 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.25 141.99 32.34 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.605 0.595 . . . . 65.54 112.605 -175.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.48 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -155.4 143.17 19.8 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.602 -0.727 . . . . 73.33 110.523 178.281 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 60.04 27.6 17.03 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.137 0.791 . . . . 74.34 113.137 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.47 4.73 90.07 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.958 -0.639 . . . . 73.33 112.603 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -117.86 172.53 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.453 -0.573 . . . . 72.23 109.453 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.549 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 36.5 p90 -137.88 154.86 49.43 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.962 -0.461 . . . . 71.42 110.767 172.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 4.2 t -127.58 118.07 23.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.914 0.388 . . . . 75.32 110.852 174.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 52.2 t -109.25 102.99 11.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.261 -0.427 . . . . 65.31 111.643 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.499 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 14.3 m120 -82.99 106.28 14.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.881 0.472 . . . . 64.03 111.281 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.498 HD13 HG21 ' A' ' 26' ' ' ILE . 49.5 tp -98.63 137.63 36.99 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.78 0.324 . . . . 51.23 111.809 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.527 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 72.4 mmm -130.36 113.19 14.04 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.851 0.358 . . . . 65.44 111.61 176.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.22 167.48 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 116.347 -0.388 . . . . 73.02 111.92 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -97.17 139.54 32.99 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.875 0.369 . . . . 75.15 111.712 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.1 m -129.47 141.91 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-O 121.024 0.44 . . . . 62.43 111.794 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.592 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.4 ptpt -73.79 -20.27 60.52 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.396 0.517 . . . . 64.0 112.396 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.592 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.1 p30 -156.83 162.48 39.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.6 0.36 . . . . 71.22 110.087 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -74.45 -28.1 60.89 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.829 0.347 . . . . 65.1 111.756 -173.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.72 -35.53 80.86 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.632 0.73 . . . . 51.51 110.267 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 49.0 tptt -57.91 -39.25 77.48 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.275 -0.875 . . . . 75.23 111.137 173.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.455 HD13 ' HB1' ' A' ' 6' ' ' ALA . 53.9 tp -66.02 -48.86 69.75 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.857 0.361 . . . . 73.14 111.953 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.454 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 5.1 t -67.64 -28.74 67.98 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.915 0.388 . . . . 74.31 111.435 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.8 m -60.39 -40.23 90.16 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.126 0.489 . . . . 71.42 110.657 172.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.73 -39.29 93.94 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.207 -0.451 . . . . 75.24 111.292 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.454 ' SD ' ' HA ' ' A' ' 60' ' ' THR . 50.0 mtt -52.67 -50.96 62.23 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.269 -0.423 . . . . 71.12 110.704 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.48 -48.77 79.68 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.312 -0.404 . . . . 75.55 110.822 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -51.29 -36.8 44.11 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.933 0.397 . . . . 74.05 111.687 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.685 HD13 HD11 ' A' ' 10' ' ' ILE . 57.9 mt -81.15 -28.3 35.11 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.163 0.506 . . . . 74.2 111.51 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 63' ' ' MET . 99.1 mtt180 -75.64 -7.69 54.93 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.315 -0.402 . . . . 74.43 111.969 177.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -71.4 -9.4 58.1 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.007 0.432 . . . . 62.23 110.946 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.23 115.76 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.884 0.373 . . . . 74.31 110.708 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -57.88 -30.49 65.89 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.781 0.66 . . . . 74.01 112.781 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.35 -18.06 79.49 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 121.002 -0.618 . . . . 70.32 114.193 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.3 t -89.32 139.73 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 121.899 -0.765 . . . . 73.21 111.363 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.97 -7.78 8.36 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.793 0.664 . . . . 62.14 112.793 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.641 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.7 p -138.39 125.23 21.09 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.074 0.464 . . . . 71.54 111.632 174.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.561 HG11 ' HB2' ' A' ' 66' ' ' LEU . 45.2 t -142.62 102.85 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 N-CA-C 109.512 -0.551 . . . . 75.2 109.512 171.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -131.8 167.41 19.6 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.073 0.463 . . . . 72.14 112.042 -173.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -80.21 143.94 33.35 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.067 0.46 . . . . 74.21 111.512 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' A' ' 9' ' ' ARG . 93.9 mt -88.97 102.17 14.81 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.975 0.417 . . . . 75.22 110.801 174.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.1 p -66.87 -48.4 68.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.161 0.505 . . . . 74.34 111.07 177.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -81.86 128.44 34.04 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.991 -0.55 . . . . 72.23 110.687 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.418 0.628 . . . . 72.45 109.839 -178.769 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 2.1 m-20 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 120.743 0.306 . . . . 43.2 111.239 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -106.88 161.02 15.07 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.185 0.517 . . . . 72.51 110.991 -173.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 tp -80.08 112.24 17.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.916 -0.584 . . . . 53.4 111.082 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.61 150.68 27.86 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.789 -0.641 . . . . 71.01 111.496 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.42 144.24 17.54 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 121.387 -0.435 . . . . 64.43 112.821 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.585 HD12 HD23 ' B' ' 49' ' ' LEU . 54.0 mt -129.44 147.22 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 120.788 0.328 . . . . 70.22 110.751 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.571 ' HB3' ' HB2' ' B' ' 76' ' ' GLU . 47.3 ttt180 -126.77 118.88 25.58 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.776 0.322 . . . . 75.24 110.841 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.562 HD11 HD13 ' B' ' 66' ' ' LEU . 40.5 mt -112.23 117.62 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.528 -0.306 . . . . 72.33 111.247 -177.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.594 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 61.1 t -119.66 117.36 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 121.546 0.689 . . . . 64.2 111.561 177.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.82 171.69 25.33 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-N 115.616 -0.72 . . . . 64.11 112.407 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.82 138.94 55.18 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.029 0.442 . . . . 61.5 111.9 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -73.96 82.05 1.7 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.254 0.549 . . . . 73.55 111.647 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -90.97 160.71 15.5 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.618 0.723 . . . . 73.32 112.657 172.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.551 HD22 ' N ' ' B' ' 16' ' ' ASN . 0.1 OUTLIER -72.61 48.14 0.19 Allowed 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.914 -1.039 . . . . 72.12 112.961 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.06 -26.42 0.1 OUTLIER Glycine 0 CA--C 1.528 0.883 0 CA-C-N 116.291 -0.413 . . . . 52.01 113.069 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.517 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 53.0 mmm -53.29 -50.93 63.87 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.926 0.713 . . . . 72.23 112.926 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 65.6 p -57.28 -32.44 66.63 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 111.962 0.356 . . . . 61.45 111.962 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -76.43 -43.27 40.88 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.097 0.475 . . . . 74.01 111.384 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.517 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.6 pt20 -72.37 -35.53 68.51 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.401 -0.363 . . . . 74.43 111.613 -177.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.428 ' O ' HG13 ' B' ' 26' ' ' ILE . 15.5 mm -60.93 -54.57 33.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 112.156 0.428 . . . . 72.33 112.156 -176.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.561 HG21 HG21 ' A' ' 23' ' ' THR . 2.9 m -73.62 -29.14 62.18 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.209 0.528 . . . . 73.3 110.579 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.72 -43.23 98.01 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.992 -0.549 . . . . 44.34 112.624 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.559 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . 80.7 t -69.48 -37.89 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 O-C-N 122.621 -0.341 . . . . 71.01 111.32 176.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 22' ' ' ILE . 70.6 mt -56.03 -45.54 80.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.881 0.372 . . . . 75.34 111.807 176.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 85.6 p -58.66 -22.25 56.34 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.192 0.442 . . . . 73.21 112.192 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' B' ' 25' ' ' VAL . 45.2 mtmt -81.07 0.18 37.13 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.373 0.509 . . . . 73.34 112.373 -178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -71.09 156.76 39.22 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 120.95 0.405 . . . . 71.45 111.468 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.27 -20.76 66.2 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.191 0.52 . . . . 64.21 111.468 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . 0.435 HG21 HD13 ' B' ' 51' ' ' ILE . 7.0 t -92.98 161.34 14.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.993 -0.549 . . . . 52.11 112.201 -174.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.408 ' OD1' ' HA2' ' A' ' 17' ' ' GLY . 42.1 t30 -99.84 129.59 45.95 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.904 -0.589 . . . . 63.11 110.936 -178.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.521 ' HA ' HG22 ' B' ' 51' ' ' ILE . 73.0 mt -67.03 126.86 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.206 0.527 . . . . 61.42 111.08 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -103.27 -31.6 10.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.353 0.596 . . . . 73.54 110.201 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 53.7 m -154.79 132.04 11.07 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.562 -0.745 . . . . 63.33 110.392 174.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.67 HG22 ' HB3' ' A' ' 38' ' ' LEU . 10.4 tp -139.17 128.02 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 121.218 0.532 . . . . 70.04 110.628 176.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 57.6 t -128.35 143.8 39.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.422 -0.353 . . . . 63.2 110.704 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.541 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.3 tt -144.29 128.19 17.4 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.575 0.226 . . . . 55.14 110.501 176.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -143.91 145.5 32.32 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.738 0.304 . . . . 75.14 110.998 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -111.33 121.44 45.25 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.29 0.567 . . . . 62.43 111.657 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -138.4 150.26 46.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.517 -0.765 . . . . 52.35 109.92 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 59.88 20.01 8.96 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.855 0.36 . . . . 54.42 111.788 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.04 4.7 90.49 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 121.208 -0.52 . . . . 61.4 113.13 -175.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.7 mt -119.77 164.6 15.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 N-CA-C 109.447 -0.575 . . . . 72.05 109.447 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 18.2 p90 -125.33 150.9 46.72 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.735 -0.603 . . . . 44.45 110.773 175.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.404 ' HB ' HG22 ' B' ' 11' ' ' VAL . 3.6 t -128.32 125.62 39.13 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.046 0.45 . . . . 65.52 110.794 174.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.663 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.9 t -112.7 126.03 54.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.152 -0.476 . . . . 72.12 111.598 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -101.81 106.3 17.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.532 0.333 . . . . 74.24 110.782 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.585 HD23 HD12 ' B' ' 8' ' ' ILE . 56.8 tp -100.55 121.44 41.6 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.969 0.414 . . . . 62.2 111.977 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.413 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.0 mmm -115.99 109.03 17.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.863 0.363 . . . . 63.33 111.159 177.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.521 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -143.61 160.97 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 116.229 -0.441 . . . . 72.33 111.957 -176.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -89.18 139.19 30.73 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.901 0.381 . . . . 73.21 111.689 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 13.7 m -131.0 141.8 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 121.005 0.431 . . . . 54.25 111.639 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.528 ' HE2' ' ND2' ' B' ' 55' ' ' ASN . 21.4 ptmt -64.21 -40.48 96.16 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.112 -0.495 . . . . 61.44 111.973 175.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.528 ' ND2' ' HE2' ' B' ' 54' ' ' LYS . 89.6 m-20 -139.77 162.56 34.83 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.18 0.514 . . . . 63.11 111.894 -174.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 77.8 p -63.79 -40.53 96.89 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.874 -0.603 . . . . 74.3 111.221 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -40.94 96.81 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.31 0.576 . . . . 62.23 111.183 176.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -56.62 -39.79 74.24 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.822 -0.627 . . . . 53.43 110.668 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.86 -47.66 74.16 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.271 -0.422 . . . . 71.42 111.216 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' B' ' 63' ' ' MET . 69.1 p -64.59 -27.71 69.13 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.992 0.425 . . . . 51.23 111.307 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 99.3 m -66.57 -39.75 88.63 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.903 0.382 . . . . 70.23 111.234 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.23 -36.83 78.61 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.929 0.395 . . . . 52.41 110.579 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.412 ' HA ' HG11 ' B' ' 75' ' ' VAL . 61.7 mtt -56.11 -46.57 79.07 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.081 -0.508 . . . . 75.31 110.64 174.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.512 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 31.3 t70 -55.74 -50.11 71.27 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.947 -0.57 . . . . 71.21 111.006 177.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -57.47 -45.96 84.21 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.208 0.528 . . . . 63.13 111.876 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.562 HD13 HD11 ' B' ' 10' ' ' ILE . 56.1 mt -72.78 -30.43 64.09 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.27 0.557 . . . . 60.21 111.55 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 67' ' ' ARG . 46.2 ttm180 -71.89 -13.25 61.6 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.036 -0.529 . . . . 70.51 111.869 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 74.7 mmtt -72.29 -15.45 61.9 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 111.988 0.366 . . . . 71.13 111.988 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 49.0 t -80.82 117.82 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 120.822 0.344 . . . . 71.11 111.594 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -56.54 -31.31 64.02 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.447 0.536 . . . . 52.15 112.447 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.487 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -69.09 -21.4 75.53 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 121.293 -0.48 . . . . 73.22 113.774 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -95.34 141.63 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 117.214 0.507 . . . . 73.5 111.267 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.78 -14.39 7.69 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.457 0.539 . . . . 64.15 112.457 176.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.594 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.0 OUTLIER -130.31 128.56 41.76 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.12 0.486 . . . . 74.25 111.559 175.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.412 HG11 ' HA ' ' B' ' 63' ' ' MET . 25.9 t -128.25 105.33 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 109.622 -0.511 . . . . 74.54 109.622 173.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' B' ' 9' ' ' ARG . 43.5 mt-10 -118.32 164.64 14.91 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.395 0.617 . . . . 72.32 112.654 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -101.87 141.7 34.32 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.79 -0.641 . . . . 54.34 110.751 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -96.13 106.53 18.72 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.036 0.446 . . . . 64.14 110.706 176.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 83.6 p -81.93 -56.95 3.64 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.0 0.429 . . . . 71.14 111.967 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -77.29 100.05 5.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.022 0.439 . . . . 75.53 111.357 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 121.319 0.58 . . . . 61.54 112.197 -177.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.5 p90 . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 121.219 0.533 . . . . 74.15 111.09 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -78.08 103.68 8.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.918 -0.583 . . . . 75.2 111.215 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.22 158.69 15.32 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.903 -0.59 . . . . 71.31 111.43 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.91 151.0 20.08 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 121.056 -0.592 . . . . 54.4 113.469 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 mt -136.91 146.04 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 122.984 0.514 . . . . 70.32 110.506 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.499 ' HB2' HD21 ' A' ' 78' ' ' LEU . 59.2 ttt180 -122.18 131.42 53.94 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 122.025 -0.422 . . . . 60.14 110.947 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 46' ' ' THR . 31.8 mt -120.72 117.51 53.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.242 -0.435 . . . . 64.22 111.247 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.59 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 73.3 t -118.01 116.93 53.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.686 0.755 . . . . 75.34 111.122 175.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.01 167.76 25.56 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.373 -0.831 . . . . 71.3 112.412 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.45 139.79 57.99 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.025 0.441 . . . . 64.03 111.738 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.41 75.16 3.97 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.346 0.593 . . . . 71.53 111.778 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -88.42 154.42 20.39 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.096 0.474 . . . . 72.4 112.174 170.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -46.98 -38.84 11.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.445 -0.798 . . . . 62.54 112.962 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.77 -12.65 34.28 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.912 -0.661 . . . . 43.22 114.142 -176.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.551 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 56.0 mmm -69.75 -51.83 30.64 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 117.841 0.82 . . . . 63.13 112.704 -173.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.4 p -59.78 -33.94 72.36 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.042 0.449 . . . . 74.22 111.387 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.517 ' HA ' HD12 ' B' ' 33' ' ' ILE . 1.9 m-20 -76.39 -48.63 19.16 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.074 0.464 . . . . 75.31 110.908 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.551 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.2 pt20 -67.25 -35.64 79.96 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.375 -0.375 . . . . 73.12 111.738 -176.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.1 mm -63.56 -54.31 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 112.28 0.474 . . . . 72.11 112.28 -177.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.3 m -71.01 -27.45 63.7 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.261 0.553 . . . . 75.13 110.257 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.498 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -62.94 -49.65 70.47 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.168 -0.539 . . . . 72.45 112.265 172.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.513 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 54.2 t -59.42 -36.35 63.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 O-C-N 122.556 -0.379 . . . . 62.24 111.372 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 49' ' ' LEU . 75.2 mt -60.36 -44.89 96.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.286 -0.416 . . . . 75.53 111.604 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.4 p -63.39 -24.94 68.06 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.08 0.467 . . . . 40.03 111.022 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 54.4 mtpt -77.68 -4.74 47.65 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.052 -0.522 . . . . 73.41 111.812 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -65.48 166.51 10.24 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.963 0.887 . . . . 74.11 113.388 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.84 34.08 0.66 Allowed 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 114.616 -1.174 . . . . 73.23 110.898 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.9 t -151.88 149.22 28.72 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.343 -0.389 . . . . 73.43 111.135 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.405 HD22 ' NH1' ' A' ' 34' ' ' ARG . 8.0 t30 -90.31 127.74 36.25 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.04 0.448 . . . . 73.52 111.181 -177.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.416 ' HA ' HG22 ' A' ' 51' ' ' ILE . 66.8 mt -63.03 123.16 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 112.34 0.496 . . . . 71.25 112.34 -175.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.405 ' NH1' HD22 ' A' ' 32' ' ' ASN . 28.1 mmt180 -96.87 -39.29 9.47 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.245 0.545 . . . . 73.45 110.598 176.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.548 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 24.8 m -149.79 146.1 26.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.999 -0.546 . . . . 74.42 110.19 172.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.584 HG22 ' HB3' ' B' ' 38' ' ' LEU . 19.3 tt -157.88 131.63 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.085 0.469 . . . . 73.5 111.726 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.627 HG13 HG22 ' B' ' 37' ' ' VAL . 62.1 t -133.64 104.82 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 116.332 -0.394 . . . . 72.52 111.726 -178.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.573 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.0 tt -104.72 116.58 32.27 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.771 -0.455 . . . . 70.21 109.771 174.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -128.73 128.9 44.95 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.901 0.382 . . . . 61.43 111.321 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -96.77 109.95 22.52 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.029 0.442 . . . . 72.05 111.247 177.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.708 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -123.93 141.06 52.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.062 -0.517 . . . . 73.44 110.603 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 64.24 6.81 3.15 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.622 0.601 . . . . 51.22 112.622 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.74 7.5 50.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 121.174 -0.536 . . . . 64.43 113.544 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.5 mt -131.89 149.83 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 122.331 -0.511 . . . . 53.32 110.02 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.533 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 39.1 p90 -114.51 146.22 40.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.027 0.441 . . . . 43.34 111.634 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 2.1 t -122.99 102.61 8.1 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.874 -0.603 . . . . 74.21 111.058 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 38' ' ' LEU . 42.2 t -91.32 111.29 22.71 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.025 0.441 . . . . 72.43 111.303 177.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.3 m-20 -97.47 111.2 23.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.207 -0.451 . . . . 62.54 111.14 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD13 HG21 ' A' ' 26' ' ' ILE . 57.7 tp -98.65 138.09 36.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.921 0.391 . . . . 70.43 111.783 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.548 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.5 mmm -131.38 114.22 14.71 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.392 -0.367 . . . . 71.53 111.126 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.416 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.6 pp -145.48 162.16 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 122.569 0.347 . . . . 71.24 111.876 -176.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -89.6 139.88 30.1 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.87 0.367 . . . . 73.31 111.869 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.5 m -135.96 152.38 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.1 -0.5 . . . . 62.34 110.776 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -84.4 -32.36 24.19 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.919 0.39 . . . . 75.21 111.77 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.529 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 79.0 m-20 -131.39 155.67 46.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.329 -0.396 . . . . 74.54 111.374 -176.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.6 p -72.84 -30.62 64.16 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 122.18 -0.325 . . . . 74.45 111.108 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.11 -32.49 74.08 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.755 0.788 . . . . 71.22 109.814 175.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 51.5 tptt -61.87 -47.32 85.53 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.917 -1.038 . . . . 75.25 110.812 172.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.43 -47.34 86.53 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.141 -0.481 . . . . 74.25 111.748 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.5 p -62.1 -27.33 68.84 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.688 0.28 . . . . 72.43 111.58 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.0 m -61.96 -42.97 99.73 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.053 0.454 . . . . 63.22 111.219 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.5 -39.48 91.14 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.322 -0.399 . . . . 62.12 111.189 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.4 mtt -52.98 -51.07 62.79 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.139 0.495 . . . . 73.54 110.735 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.98 -47.11 81.58 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.742 -0.663 . . . . 71.44 111.132 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.434 ' NZ ' ' HB3' ' A' ' 65' ' ' LYS . 8.6 mtpm? -58.16 -34.23 70.08 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.12 -0.491 . . . . 70.5 111.866 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.404 HD13 HD11 ' A' ' 10' ' ' ILE . 60.3 mt -79.38 -33.47 42.79 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.129 0.49 . . . . 62.42 111.488 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.417 ' HE ' ' HB ' ' A' ' 75' ' ' VAL . 99.2 mtt180 -70.37 -6.5 35.86 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.139 -0.482 . . . . 71.15 112.213 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -71.11 -17.09 62.59 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.68 0.276 . . . . 73.42 111.298 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -86.61 122.52 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-O 121.189 0.519 . . . . 61.3 112.204 -172.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -53.1 -39.96 63.77 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.267 0.84 . . . . 73.44 113.267 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.38 -18.36 79.3 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 121.073 -0.584 . . . . 65.25 114.495 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.459 HG23 ' HE1' ' A' ' 18' ' ' MET . 61.1 t -89.73 139.08 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 117.667 0.734 . . . . 73.31 111.799 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -121.64 -12.02 8.56 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.51 0.559 . . . . 64.14 112.51 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.59 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 2.8 p -134.09 123.14 23.97 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.999 0.428 . . . . 62.2 111.623 174.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.417 ' HB ' ' HE ' ' A' ' 67' ' ' ARG . 45.1 t -134.23 104.82 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 109.625 -0.509 . . . . 75.54 109.625 172.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -129.33 170.03 14.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.021 0.438 . . . . 72.53 112.075 -171.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -92.31 133.95 35.37 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.465 -0.334 . . . . 72.31 111.427 176.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 9' ' ' ARG . 95.4 mt -83.87 95.34 8.45 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.461 -0.57 . . . . 72.31 109.461 170.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 75.3 p -84.0 -53.42 5.57 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.989 0.424 . . . . 74.32 111.586 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.422 HD22 ' C ' ' A' ' 80' ' ' ASN . 0.2 OUTLIER -69.43 97.13 0.95 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.252 0.549 . . . . 71.33 110.493 178.364 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.1 mt . . . . . 0 CA--C 1.537 0.464 0 CA-C-N 116.062 -0.517 . . . . 72.45 112.023 -178.719 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 121.179 0.514 . . . . 65.21 112.217 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -139.04 153.78 48.13 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.922 0.392 . . . . 72.52 110.5 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 51.2 tp -75.54 105.7 6.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.286 0.565 . . . . 65.0 110.694 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.411 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -94.42 152.97 18.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.772 -0.649 . . . . 72.34 111.889 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.77 128.56 5.36 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.308 -0.472 . . . . 73.22 113.319 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' B' ' 48' ' ' ASN . 50.4 mt -115.63 147.23 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 122.562 0.345 . . . . 62.34 110.936 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -123.55 128.63 50.02 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.737 0.303 . . . . 54.0 110.994 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.924 HD11 HD13 ' B' ' 66' ' ' LEU . 51.6 mt -123.08 117.84 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 116.347 -0.388 . . . . 70.11 111.393 -178.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.598 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 70.5 t -118.81 117.71 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.643 0.735 . . . . 60.23 111.21 175.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.15 169.74 26.18 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.398 -0.819 . . . . 63.03 112.491 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.49 126.83 30.69 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.271 0.557 . . . . 72.53 111.655 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.04 114.22 4.01 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.985 0.422 . . . . 72.34 110.657 177.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.442 ' HB2' ' CG ' ' B' ' 18' ' ' MET . 22.4 mtpp -123.26 -177.38 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.508 0.671 . . . . 64.42 112.121 -177.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -46.82 -29.85 2.17 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.723 -1.126 . . . . 73.35 113.493 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.79 31.44 0.41 Allowed Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.807 -0.711 . . . . 73.13 113.515 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.487 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 30.3 mmm -73.6 -49.69 24.93 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 122.411 -0.464 . . . . 74.02 112.199 -177.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 73.4 p -58.99 -32.28 69.54 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.022 0.439 . . . . 71.44 111.298 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -76.45 -48.89 18.14 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.103 -0.499 . . . . 73.31 111.163 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.538 ' O ' HG23 ' B' ' 25' ' ' VAL . 8.7 pt20 -64.12 -39.64 94.46 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.617 -0.265 . . . . 71.53 111.272 -177.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.41 HD13 HG21 ' B' ' 69' ' ' VAL . 12.3 mm -60.69 -53.95 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.936 0.398 . . . . 62.0 111.881 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.419 ' HA ' HD12 ' B' ' 26' ' ' ILE . 6.3 m -70.18 -27.05 64.21 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.306 0.574 . . . . 53.45 110.367 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.534 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -61.92 -52.24 51.62 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-N 115.975 -0.557 . . . . 54.02 112.015 172.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 21' ' ' GLN . 90.8 t -55.85 -40.28 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 121.003 0.43 . . . . 64.32 110.904 175.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.452 ' CG2' HD13 ' B' ' 49' ' ' LEU . 57.9 mt -54.53 -47.2 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 CA-C-N 115.908 -0.587 . . . . 64.51 111.628 174.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 82.7 p -70.64 -21.47 62.62 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 120.743 0.306 . . . . 62.24 111.431 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 99.0 mttt -75.32 -6.65 51.0 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.268 0.47 . . . . 62.53 112.268 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -69.66 170.05 11.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.866 0.841 . . . . 73.13 112.733 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.39 -29.44 26.21 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.15 -0.932 . . . . 54.4 111.924 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.9 t -77.74 160.27 28.53 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.117 0.484 . . . . 40.32 112.109 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -94.32 124.35 38.29 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.976 0.417 . . . . 75.2 111.855 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.518 ' HA ' HG22 ' B' ' 51' ' ' ILE . 67.4 mt -67.12 112.86 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 116.127 -0.488 . . . . 74.33 111.571 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' B' ' 34' ' ' ARG . 0.1 OUTLIER -89.53 -32.6 17.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.337 0.589 . . . . 73.41 110.343 177.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 19.0 m -157.44 149.37 22.36 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.994 -0.548 . . . . 71.03 110.813 175.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.573 HG22 ' HB3' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -149.17 133.74 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 120.743 0.306 . . . . 75.33 110.309 172.424 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.627 HG22 HG13 ' A' ' 37' ' ' VAL . 62.5 t -133.76 105.75 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 120.776 0.322 . . . . 71.3 111.716 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.584 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.3 tt -113.48 133.17 55.36 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 122.334 0.253 . . . . 55.3 110.691 178.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -141.03 133.44 28.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.185 0.517 . . . . 72.42 111.302 172.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -105.09 127.56 52.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.252 0.548 . . . . 73.45 111.02 177.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.587 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -142.77 140.94 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.836 -0.62 . . . . 75.34 110.451 179.33 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 56.14 27.03 10.91 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.202 0.525 . . . . 72.01 111.864 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.68 5.75 81.15 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 116.207 -0.451 . . . . 73.41 114.172 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 mt -128.62 140.43 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 117.542 0.671 . . . . 64.22 111.282 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.573 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 38.6 p90 -110.81 146.85 35.69 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.915 0.388 . . . . 73.44 111.265 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.489 ' HB ' HG22 ' B' ' 11' ' ' VAL . 3.0 t -124.31 107.32 11.03 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.084 -0.507 . . . . 63.3 110.747 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' B' ' 36' ' ' ILE . 42.2 t -101.1 122.25 43.25 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.125 -0.488 . . . . 54.41 111.3 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' B' ' 8' ' ' ILE . 64.7 m-20 -105.22 117.66 34.58 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.79 0.329 . . . . 74.13 111.219 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' B' ' 26' ' ' ILE . 28.4 tp -98.96 126.93 44.77 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.922 0.391 . . . . 74.21 111.605 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.528 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 65.7 mmm -118.47 106.93 13.19 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.146 0.498 . . . . 72.41 111.386 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.518 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.2 pp -138.96 160.75 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 115.977 -0.556 . . . . 43.22 111.506 -177.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.25 132.35 36.18 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.928 0.394 . . . . 65.24 111.611 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.1 m -126.78 145.78 33.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 116.118 -0.492 . . . . 63.01 110.894 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -81.13 -18.35 46.73 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.881 0.372 . . . . 74.22 111.597 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -158.44 164.94 35.76 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.111 -0.495 . . . . 70.22 111.064 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 81.4 p -70.52 -30.68 67.51 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.231 0.456 . . . . 75.13 112.231 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -59.11 -41.26 87.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.0 0.429 . . . . 64.33 111.496 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -57.27 -51.15 70.51 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.084 0.469 . . . . 72.13 110.648 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.411 HD13 ' HB1' ' B' ' 6' ' ' ALA . 50.5 tp -57.23 -47.35 81.56 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.833 -0.621 . . . . 74.11 112.407 -177.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . 0.426 ' HA ' ' HG3' ' B' ' 63' ' ' MET . 9.2 t -73.46 -29.44 62.54 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.182 0.438 . . . . 72.31 112.182 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 97.3 m -63.67 -33.85 76.56 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.087 0.47 . . . . 71.34 110.508 173.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.55 -37.69 88.44 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.527 -0.306 . . . . 74.22 110.616 173.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.426 ' HG3' ' HA ' ' B' ' 60' ' ' THR . 50.0 mtt -53.99 -50.7 65.97 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.226 0.536 . . . . 74.32 109.803 173.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.15 -53.66 50.28 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.459 -0.791 . . . . 72.25 111.95 176.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -58.09 -36.28 72.62 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.128 0.418 . . . . 62.32 112.128 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.924 HD13 HD11 ' B' ' 10' ' ' ILE . 63.5 mt -81.57 -25.81 35.5 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.981 0.419 . . . . 74.34 111.365 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' B' ' 67' ' ' ARG . 37.0 ttm180 -73.68 -14.33 61.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.852 0.358 . . . . 74.32 111.774 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -72.4 -3.92 27.0 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.1 0.408 . . . . 75.21 112.1 -177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.442 HG12 ' H ' ' B' ' 71' ' ' GLY . 88.7 t -85.91 126.58 40.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 121.214 0.53 . . . . 71.0 111.378 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.22 -31.42 69.03 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.036 0.754 . . . . 72.05 113.036 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.442 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -79.05 -12.92 83.58 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 121.063 -0.589 . . . . 53.21 114.414 -175.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 59.8 t -92.02 142.7 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 117.694 0.747 . . . . 72.02 112.225 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -127.68 -4.2 5.91 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.562 0.579 . . . . 55.4 112.562 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.598 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.2 p -137.78 129.09 27.81 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 122.021 -0.424 . . . . 72.41 111.474 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 t -141.76 106.5 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 109.568 -0.53 . . . . 72.32 109.568 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -143.07 160.08 41.06 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.733 0.642 . . . . 70.12 112.733 -169.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -87.62 120.02 28.51 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.215 -0.448 . . . . 74.0 111.381 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.3 -40.69 78.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.209 -0.45 . . . . 63.41 111.25 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 47.7 m 69.84 -71.49 0.12 Allowed 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.635 -0.711 . . . . 73.44 112.565 173.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -81.11 130.61 35.1 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.77 0.319 . . . . 75.41 110.556 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 112.29 0.478 . . . . 72.22 112.29 -174.05 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.4 p90 . . . . . 0 C--O 1.233 0.193 0 CA-C-O 121.116 0.484 . . . . 74.21 110.379 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.7 tp -78.78 105.89 10.39 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.476 . . . . 73.41 111.377 -178.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.49 143.68 32.4 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.932 -0.576 . . . . 70.21 111.506 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.83 144.17 18.13 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 121.158 -0.544 . . . . 71.03 112.945 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.671 HD12 HD23 ' A' ' 49' ' ' LEU . 46.2 mt -131.83 145.2 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.809 0.444 . . . . 75.22 110.282 177.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.492 ' HB2' HD21 ' A' ' 78' ' ' LEU . 73.3 ttt180 -128.83 128.03 43.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.942 0.401 . . . . 42.11 111.18 175.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.473 HD11 HD13 ' A' ' 66' ' ' LEU . 14.8 mt -117.17 117.13 54.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 115.878 -0.601 . . . . 74.14 110.926 -178.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.603 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 73.6 t -117.41 108.41 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 121.701 0.763 . . . . 51.44 111.277 175.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.12 158.68 23.69 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.139 -0.937 . . . . 70.32 111.841 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.56 133.4 43.54 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.367 0.584 . . . . 64.31 111.631 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.77 106.26 3.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.187 0.518 . . . . 54.53 111.241 -177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 18' ' ' MET . 22.3 ptmt -156.69 141.73 17.19 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.336 -0.393 . . . . 74.2 112.042 -178.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.648 HD22 ' N ' ' A' ' 16' ' ' ASN . 0.7 OUTLIER 60.66 11.06 2.9 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.764 0.653 . . . . 62.15 112.764 171.693 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.92 34.43 8.95 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 121.034 -0.603 . . . . 51.12 113.014 -177.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 45.1 mtp -59.14 -40.01 84.15 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.565 -0.374 . . . . 72.33 111.822 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.4 p -55.01 -34.83 63.8 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.871 0.367 . . . . 74.21 111.665 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.563 ' O ' ' HB2' ' B' ' 27' ' ' SER . 15.6 m120 -76.06 -49.37 17.68 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.314 -0.403 . . . . 73.02 110.957 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.561 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 10.1 pt20 -64.92 -42.59 94.58 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.768 0.318 . . . . 71.04 111.27 -178.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 13.1 mm -58.03 -53.87 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 112.198 0.444 . . . . 74.33 112.198 -177.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.425 ' O ' ' HB ' ' A' ' 26' ' ' ILE . 7.0 m -70.45 -26.07 63.48 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.221 0.534 . . . . 72.11 110.299 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.0 -43.21 99.48 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.084 -0.579 . . . . 61.32 112.362 170.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 21' ' ' GLN . 88.8 t -62.9 -35.35 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.945 0.402 . . . . 61.3 110.85 175.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.715 HD12 HD22 ' A' ' 49' ' ' LEU . 47.5 mm -51.76 -46.17 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 116.057 -0.519 . . . . 75.25 111.752 176.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.4 p -64.59 -22.89 67.09 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.86 0.362 . . . . 64.25 111.373 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -86.13 20.26 2.38 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 111.877 0.325 . . . . 71.42 111.877 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.446 ' CG ' HD22 ' A' ' 62' ' ' LEU . 21.3 m-30 -97.24 -4.77 38.28 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.674 0.62 . . . . 70.23 112.674 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.8 t70 69.42 -2.09 2.0 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 112.166 0.432 . . . . 65.31 112.166 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.9 t -100.5 155.1 18.03 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 122.038 -0.414 . . . . 52.13 112.035 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.451 ' O ' HG22 ' A' ' 51' ' ' ILE . 27.0 t-20 -80.5 123.57 28.19 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.941 0.4 . . . . 72.05 111.757 -177.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.506 ' HA ' HG22 ' A' ' 51' ' ' ILE . 68.6 mt -74.94 106.61 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 116.253 -0.43 . . . . 74.32 111.456 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.19 -35.39 21.69 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.015 0.436 . . . . 73.51 110.459 177.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.559 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 5.8 m -153.94 146.97 24.53 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.957 -0.565 . . . . 75.14 110.705 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.592 HG22 ' HB3' ' B' ' 38' ' ' LEU . 16.7 tt -157.12 133.26 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 120.863 0.364 . . . . 63.23 111.205 172.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.509 HG22 HG13 ' B' ' 37' ' ' VAL . 59.0 t -135.34 105.19 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.907 0.384 . . . . 73.32 111.543 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.63 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.4 tt -109.03 119.36 39.33 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.969 -0.382 . . . . 63.4 109.969 176.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -131.55 133.45 45.06 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.939 0.399 . . . . 74.25 111.019 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.71 117.04 34.01 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.22 0.533 . . . . 75.11 111.592 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HG2' ' OD2' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -141.09 153.65 45.55 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.888 -0.597 . . . . 72.1 109.68 176.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' OD2' ' HG2' ' A' ' 41' ' ' LYS . 32.1 m-20 64.09 11.43 6.18 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.763 0.316 . . . . 54.24 111.528 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.53 2.24 76.58 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 121.65 -0.31 . . . . 71.51 113.216 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.6 mt -125.39 150.49 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 122.541 0.336 . . . . 72.11 110.738 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.541 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 43.4 p90 -115.04 143.62 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.243 0.544 . . . . 71.51 111.481 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 1.8 t -118.32 100.37 7.45 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.781 -0.645 . . . . 51.12 111.002 176.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.3 t -88.06 108.39 19.21 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.016 0.436 . . . . 63.45 111.461 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.457 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.1 m-20 -94.38 110.8 22.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.294 -0.412 . . . . 74.53 111.185 177.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.715 HD22 HD12 ' A' ' 26' ' ' ILE . 48.3 tp -98.14 134.23 41.48 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.916 0.389 . . . . 72.22 111.761 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.559 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 70.6 mmm -127.92 108.68 10.89 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.059 0.457 . . . . 70.01 111.164 176.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.506 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -141.07 168.0 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.154 -0.475 . . . . 61.4 111.747 -175.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -96.18 138.26 34.05 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.891 0.377 . . . . 73.21 111.535 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.4 m -132.26 142.35 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.944 0.402 . . . . 53.54 111.417 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -61.86 -41.42 97.82 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.203 0.525 . . . . 61.24 111.876 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -149.49 171.59 16.35 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.324 -0.398 . . . . 60.12 111.353 -176.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.8 p -71.31 -25.59 62.49 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.55 0.574 . . . . 61.23 112.55 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.11 -40.4 90.68 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.406 0.622 . . . . 74.22 110.229 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -58.17 -41.17 83.26 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.497 -0.774 . . . . 62.43 110.791 173.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.32 -48.0 74.6 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.283 -0.417 . . . . 75.33 111.501 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.6 p -65.09 -27.98 69.14 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.684 0.278 . . . . 70.33 111.182 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.5 m -63.59 -42.75 98.25 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.966 0.412 . . . . 60.52 110.735 175.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.446 HD22 ' CG ' ' A' ' 29' ' ' PHE . 12.2 mt -63.98 -50.15 69.71 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.373 -0.376 . . . . 63.02 111.109 178.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.411 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 75.7 mtm -58.79 -34.69 71.77 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.479 -0.328 . . . . 63.21 111.359 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -63.75 -48.16 78.1 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.966 0.412 . . . . 75.34 110.774 174.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -55.85 -33.97 65.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.077 -0.51 . . . . 63.51 111.571 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.473 HD13 HD11 ' A' ' 10' ' ' ILE . 59.1 mt -78.64 -36.92 43.25 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.109 -0.496 . . . . 63.41 111.91 177.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 63' ' ' MET . 97.7 mtt180 -67.08 -7.45 23.06 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.758 0.651 . . . . 72.44 112.758 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -75.21 -12.41 60.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.429 0.529 . . . . 75.12 112.429 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 63.4 t -82.35 115.51 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.037 0.446 . . . . 72.41 111.555 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -59.06 -31.34 68.78 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.569 0.581 . . . . 64.32 112.569 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.528 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -74.09 -17.7 79.56 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 120.829 -0.7 . . . . 71.34 113.628 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -92.18 137.62 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 122.196 -0.591 . . . . 74.02 111.279 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -122.6 -2.51 8.88 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.757 0.651 . . . . 70.31 112.757 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.603 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 5.1 p -143.42 123.27 13.45 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.892 0.377 . . . . 75.15 111.446 173.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.433 HG11 ' HB2' ' A' ' 66' ' ' LEU . 26.4 t -139.27 102.78 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 109.438 -0.579 . . . . 73.31 109.438 171.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -133.79 162.12 32.86 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.517 -0.31 . . . . 72.02 111.441 -173.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -74.5 143.6 44.51 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.934 0.397 . . . . 74.12 111.512 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 9' ' ' ARG . 64.9 mt -89.51 119.34 29.86 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.756 0.312 . . . . 73.21 111.683 176.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.3 t -92.68 -14.04 28.6 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.441 0.639 . . . . 72.23 110.529 173.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -110.73 109.99 20.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.044 -0.526 . . . . 54.53 110.611 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.442 HD22 ' SD ' ' A' ' 50' ' ' MET . 36.7 mt . . . . . 0 CA--C 1.541 0.631 0 CA-C-O 121.122 0.487 . . . . 72.55 111.793 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.493 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 7.4 m-20 . . . . . 0 C--O 1.238 0.455 0 CA-C-O 120.875 0.369 . . . . 65.3 110.839 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -130.75 156.15 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.234 0.54 . . . . 74.24 110.566 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.3 tp -81.62 105.7 12.98 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.78 -0.645 . . . . 74.2 110.532 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.498 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -93.18 147.24 23.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.112 -0.494 . . . . 73.02 111.846 -176.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' B' ' 49' ' ' LEU . . . -125.14 142.86 14.15 Favored Glycine 0 CA--C 1.524 0.62 0 CA-C-N 115.95 -0.568 . . . . 65.11 113.381 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.576 HD12 HD23 ' B' ' 49' ' ' LEU . 38.7 mt -128.08 140.36 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 122.689 0.396 . . . . 64.54 110.612 177.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.558 ' HB2' HD21 ' B' ' 78' ' ' LEU . 49.6 ttt180 -114.49 122.89 47.97 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.942 0.401 . . . . 74.52 111.182 173.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' B' ' 47' ' ' CYS . 28.2 mt -111.99 117.43 55.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.96 -0.564 . . . . 74.14 110.812 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.648 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 59.3 t -120.38 110.79 29.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-O 121.519 0.676 . . . . 75.22 111.023 175.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.58 161.42 23.99 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.384 -0.826 . . . . 63.2 112.395 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.95 149.58 48.68 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.778 0.659 . . . . 74.02 112.778 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.87 97.81 0.69 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.842 -0.617 . . . . 74.12 110.599 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.502 ' HB2' ' HB2' ' B' ' 18' ' ' MET . 58.3 mmtt -100.71 -178.9 3.92 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 122.172 0.987 . . . . 73.13 111.739 175.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.422 ' H ' ' ND2' ' B' ' 16' ' ' ASN . 23.0 m-80 -57.34 -46.48 83.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 113.802 -1.544 . . . . 75.53 111.625 173.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.29 25.35 2.18 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 120.756 -0.735 . . . . 73.41 114.351 -175.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.512 ' SD ' HG11 ' B' ' 69' ' ' VAL . 22.4 mmm -67.88 -50.47 56.21 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 117.502 0.651 . . . . 74.42 111.603 177.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 77.1 p -56.58 -32.26 65.04 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.068 0.461 . . . . 72.01 111.349 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -75.7 -48.26 22.7 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.06 -0.518 . . . . 72.33 110.938 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.562 ' O ' HG23 ' B' ' 25' ' ' VAL . 10.4 pt20 -67.73 -38.77 84.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.257 -0.429 . . . . 72.43 111.467 -178.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.551 ' O ' HG12 ' B' ' 26' ' ' ILE . 14.3 mm -59.87 -54.35 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 112.236 0.458 . . . . 65.1 112.236 -176.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.5 m -70.63 -26.52 63.51 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.235 0.54 . . . . 53.1 110.318 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.4 99.73 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.961 -0.563 . . . . 73.11 111.96 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 21' ' ' GLN . 84.2 t -64.98 -41.05 91.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 120.956 0.408 . . . . 74.41 110.497 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.551 HG12 ' O ' ' B' ' 22' ' ' ILE . 50.4 mm -56.63 -45.69 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 121.059 0.457 . . . . 75.41 111.659 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . 0.563 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 68.3 p -61.99 -41.27 97.86 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.385 -0.371 . . . . 63.1 111.783 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -87.75 15.15 7.31 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.191 0.441 . . . . 72.44 112.191 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . 0.415 ' HD1' ' HA ' ' B' ' 29' ' ' PHE . 0.4 OUTLIER -64.16 166.48 7.78 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.143 0.973 . . . . 75.21 113.09 177.758 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.79 35.26 0.67 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.39 -1.277 . . . . 71.24 111.604 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 10.2 t -155.89 167.2 31.17 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.022 -0.535 . . . . 65.14 110.848 173.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -93.81 126.78 39.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.965 0.412 . . . . 63.01 111.551 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.498 ' HA ' HG22 ' B' ' 51' ' ' ILE . 70.2 mt -66.97 127.97 29.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 116.238 -0.437 . . . . 43.11 111.235 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 34' ' ' ARG . 17.3 mmm180 -104.61 -38.01 6.9 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.542 0.687 . . . . 72.23 109.724 174.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.555 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 87.0 m -153.23 131.64 12.1 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.435 -0.802 . . . . 70.31 110.124 174.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.63 HG22 ' HB3' ' A' ' 38' ' ' LEU . 9.6 tp -134.96 132.42 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.026 0.441 . . . . 73.15 110.56 176.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.509 HG13 HG22 ' A' ' 37' ' ' VAL . 60.4 t -127.0 147.3 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.387 -0.369 . . . . 72.45 110.515 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.592 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.6 tt -144.7 114.58 7.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.506 -0.553 . . . . 75.23 109.506 172.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -119.33 107.32 13.24 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.575 0.213 . . . . 64.54 111.575 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -88.47 107.98 19.15 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.132 0.491 . . . . 33.23 110.207 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -128.98 152.2 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.004 -0.544 . . . . 74.05 110.457 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 62.61 -72.97 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.407 0.623 . . . . 74.52 111.26 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.66 19.18 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 CA-C-N 115.804 -0.634 . . . . 51.14 111.724 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 mt -141.59 157.59 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 123.087 0.555 . . . . 74.35 109.72 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.521 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.1 p90 -119.65 136.22 54.49 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.929 0.395 . . . . 74.04 111.743 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.0 t -109.51 100.66 9.7 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.114 0.483 . . . . 71.03 110.744 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 42.5 t -92.27 116.88 29.35 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.261 -0.427 . . . . 61.51 111.22 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -104.51 112.08 25.0 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.667 0.27 . . . . 71.53 111.053 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.576 HD23 HD12 ' B' ' 8' ' ' ILE . 49.9 tp -98.41 131.38 44.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.874 0.369 . . . . 74.32 111.737 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.555 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 64.2 mmm -126.92 111.81 14.56 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.127 -0.488 . . . . 43.03 111.169 177.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.498 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.5 pp -143.96 159.36 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 116.218 -0.446 . . . . 63.53 111.612 -177.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -87.03 142.32 28.02 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.421 0.629 . . . . 54.34 112.363 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 21.4 m -141.1 160.6 22.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 115.58 -0.736 . . . . 72.41 110.592 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.588 ' H ' ' HD2' ' B' ' 54' ' ' LYS . 0.0 OUTLIER -99.04 -3.46 34.73 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.892 0.377 . . . . 73.52 111.495 177.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.632 HD22 ' N ' ' B' ' 55' ' ' ASN . 0.0 OUTLIER -172.49 164.65 5.63 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.657 0.383 . . . . 75.2 111.158 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.401 ' O ' HG23 ' B' ' 60' ' ' THR . 76.8 p -73.05 -26.76 61.4 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.255 0.465 . . . . 54.32 112.255 -177.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.3 -37.14 86.44 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.584 0.706 . . . . 62.25 110.288 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -57.7 -42.68 84.21 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.442 -0.799 . . . . 53.13 110.649 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.501 HD21 ' HG3' ' B' ' 77' ' ' ARG . 54.7 tp -66.98 -44.12 81.25 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.712 -0.677 . . . . 72.43 111.781 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . 0.401 HG23 ' O ' ' B' ' 56' ' ' THR . 67.9 p -62.24 -28.05 69.42 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 122.291 -0.256 . . . . 74.12 111.517 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.476 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 81.9 m -60.09 -47.62 85.11 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.138 0.494 . . . . 62.54 110.564 177.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.12 -46.18 85.33 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.059 -0.518 . . . . 64.13 111.779 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 68.1 mtm -60.24 -33.77 72.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 111.619 0.229 . . . . 72.34 111.619 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 16.0 t70 -66.29 -45.42 80.49 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.892 0.377 . . . . 72.13 110.344 174.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' B' ' 61' ' ' THR . 57.3 mtpt -55.33 -35.73 65.49 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.975 -0.557 . . . . 65.23 111.324 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 66.2 mt -76.05 -41.28 51.21 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.951 -0.568 . . . . 74.51 111.867 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -63.62 -8.09 9.03 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.386 0.513 . . . . 74.23 112.386 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' B' ' 68' ' ' LYS . 0.0 OUTLIER -73.02 -13.5 61.23 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 112.164 0.431 . . . . 61.23 112.164 176.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.512 HG11 ' SD ' ' B' ' 18' ' ' MET . 62.5 t -89.89 121.78 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 O-C-N 122.086 -0.384 . . . . 70.32 111.695 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -57.66 -34.76 69.71 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.136 -0.484 . . . . 74.23 112.278 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.425 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -64.19 -25.81 69.97 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 114.085 0.394 . . . . 35.23 114.085 -177.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.84 141.17 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 117.009 0.405 . . . . 71.14 111.49 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.9 -22.05 7.49 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.288 0.477 . . . . 75.05 112.288 175.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.648 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.8 p -123.08 118.43 27.7 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.245 0.545 . . . . 72.11 111.782 176.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.8 t -133.35 104.35 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.149 -0.686 . . . . 54.11 109.149 169.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -137.45 162.52 33.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.238 0.542 . . . . 74.24 112.053 -173.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.501 ' HG3' HD21 ' B' ' 59' ' ' LEU . 14.1 ttp180 -86.07 133.03 33.92 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.83 -0.623 . . . . 74.55 112.147 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' B' ' 9' ' ' ARG . 98.1 mt -85.27 111.38 19.81 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.127 0.489 . . . . 72.13 111.033 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 77.8 p -80.34 -66.61 0.86 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.118 0.485 . . . . 60.5 111.096 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -73.32 103.65 4.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.101 -0.5 . . . . 71.15 111.311 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 48.1 mt . . . . . 0 CA--C 1.535 0.394 0 CA-C-O 121.196 0.522 . . . . 62.23 112.233 -177.541 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.4 p90 . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 121.22 0.533 . . . . 62.23 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.8 tp -75.36 103.61 5.58 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.197 0.523 . . . . 72.23 111.424 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.58 158.61 15.8 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.828 -0.624 . . . . 61.22 111.631 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.2 144.03 15.06 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 121.3 -0.476 . . . . 64.44 112.661 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.3 mt -133.19 140.14 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 122.601 -0.352 . . . . 63.32 110.763 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HB2' HD21 ' A' ' 78' ' ' LEU . 47.2 ttp180 -118.04 126.45 52.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.9 0.381 . . . . 73.15 110.841 175.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.585 HD11 HD13 ' A' ' 66' ' ' LEU . 24.7 mt -113.31 116.0 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 116.077 -0.51 . . . . 74.53 110.632 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.605 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 71.5 t -115.99 113.54 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.6 0.714 . . . . 72.13 111.705 178.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.08 171.88 22.9 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.331 -0.85 . . . . 11.34 112.388 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -67.45 124.71 23.94 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.238 0.542 . . . . 71.32 112.169 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -64.54 104.74 0.84 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.996 -0.547 . . . . 73.12 111.52 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -130.51 175.85 8.64 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.636 0.731 . . . . 60.21 112.808 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -77.4 48.5 0.65 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.669 -1.151 . . . . 72.02 112.629 -174.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.33 -28.84 0.24 Allowed Glycine 0 CA--C 1.526 0.736 0 C-N-CA 121.101 -0.571 . . . . 72.52 113.296 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.463 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 70.1 mmm -53.09 -50.46 64.34 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.667 0.617 . . . . 74.43 112.667 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -60.02 -29.74 68.7 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.055 0.455 . . . . 53.0 111.614 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' B' ' 27' ' ' SER . 13.3 m120 -76.32 -48.68 19.18 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.147 0.498 . . . . 73.51 110.985 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.7 pt20 -66.19 -37.62 86.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.241 -0.436 . . . . 74.35 111.629 -176.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.1 mm -61.06 -54.3 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 112.598 0.592 . . . . 74.34 112.598 -176.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 m -73.36 -26.91 61.21 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.436 0.636 . . . . 63.23 110.078 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -57.18 -41.24 92.66 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 115.669 -0.696 . . . . 74.35 112.38 171.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 21' ' ' GLN . 69.8 t -67.23 -39.99 84.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.045 0.45 . . . . 75.23 110.853 174.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.471 HG21 HD13 ' A' ' 49' ' ' LEU . 68.2 mt -57.08 -42.04 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 116.146 -0.479 . . . . 75.32 112.096 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 63.3 p -62.23 -21.97 65.58 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.775 0.321 . . . . 73.22 111.742 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 25.0 mtpp -79.71 -0.5 34.37 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 111.936 0.347 . . . . 73.04 111.936 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -75.71 165.66 24.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.788 0.804 . . . . 61.23 112.977 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.32 -28.94 38.09 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.718 -1.128 . . . . 75.12 111.203 -177.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 t -86.24 170.09 12.43 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.786 -0.643 . . . . 74.41 112.463 -174.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.414 ' O ' HG22 ' A' ' 51' ' ' ILE . 26.5 t-20 -99.9 136.83 39.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.059 0.457 . . . . 70.44 111.267 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.544 HG13 ' ND2' ' B' ' 20' ' ' ASN . 62.4 mt -79.1 103.19 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 121.058 0.456 . . . . 72.54 111.662 -177.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -75.5 -35.54 60.76 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.072 0.463 . . . . 64.42 110.447 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.628 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 56.1 m -156.92 132.7 9.47 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.065 -0.516 . . . . 54.54 111.739 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.762 HD11 ' SG ' ' A' ' 47' ' ' CYS . 9.1 tp -135.66 126.18 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 120.623 0.249 . . . . 74.12 110.333 172.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.422 HG22 HG13 ' B' ' 37' ' ' VAL . 58.6 t -135.1 104.24 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.83 0.348 . . . . 74.14 111.758 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.628 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.8 tt -107.49 124.25 49.61 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 110.067 -0.346 . . . . 74.43 110.067 177.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -131.14 124.98 31.87 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.134 0.492 . . . . 70.35 111.436 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -98.4 116.39 30.53 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.056 -0.52 . . . . 53.21 110.729 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.459 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -142.58 146.79 34.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.957 -0.565 . . . . 73.13 110.7 -177.203 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.0 t70 66.09 6.38 4.1 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.157 0.428 . . . . 74.45 112.157 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.06 -1.4 47.62 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.132 -0.556 . . . . 74.33 113.233 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mt -123.4 164.39 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.61 -0.515 . . . . 71.02 109.61 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.511 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 30.5 p90 -131.52 143.12 50.15 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.98 -0.45 . . . . 74.13 111.375 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.532 ' HB ' HG22 ' A' ' 11' ' ' VAL . 2.1 t -120.72 114.08 21.15 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.043 0.449 . . . . 73.01 111.355 173.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.762 ' SG ' HD11 ' A' ' 36' ' ' ILE . 42.8 t -93.62 116.86 29.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.112 -0.495 . . . . 75.31 110.94 175.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.419 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.3 m-20 -100.88 106.24 17.58 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.775 0.321 . . . . 70.24 111.246 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.471 HD13 HG21 ' A' ' 26' ' ' ILE . 62.0 tp -98.68 128.41 44.94 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.048 0.451 . . . . 64.33 111.874 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.564 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 75.8 mmm -121.59 106.82 11.72 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.167 -0.47 . . . . 53.04 110.716 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -142.12 166.0 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 116.113 -0.494 . . . . 65.45 111.922 -175.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -92.47 135.38 34.1 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.028 0.442 . . . . 75.45 111.666 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.2 m -125.46 142.05 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 120.993 0.425 . . . . 55.24 111.182 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -63.8 -29.09 70.33 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.36 0.504 . . . . 71.32 112.36 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -166.37 175.94 7.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.995 0.426 . . . . 73.33 111.464 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.7 p -64.26 -35.12 79.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.291 -0.413 . . . . 61.01 111.954 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -60.77 -41.94 96.51 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.856 0.836 . . . . 71.52 110.593 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -60.95 -43.08 99.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.782 -1.099 . . . . 73.53 111.093 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.0 -47.44 83.09 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.035 -0.53 . . . . 73.03 111.559 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.8 p -62.77 -29.62 70.84 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.862 0.363 . . . . 73.23 111.264 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.4 m -67.55 -41.76 83.73 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.863 0.363 . . . . 61.22 111.383 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.87 -37.35 84.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.829 0.347 . . . . 74.41 110.973 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.5 mtt -58.37 -44.2 88.77 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.052 0.453 . . . . 74.34 111.06 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 25.8 t70 -62.72 -43.83 97.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.753 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -56.09 -48.32 76.35 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.248 0.547 . . . . 73.52 111.617 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 10' ' ' ILE . 52.5 mt -71.26 -26.36 62.86 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.988 -0.551 . . . . 70.52 111.643 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -79.8 -6.69 57.82 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 120.951 0.405 . . . . 74.34 111.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 75.5 mmtt -70.66 -7.22 42.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 122.17 -0.331 . . . . 53.12 111.614 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.1 t -93.36 115.63 32.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.901 0.381 . . . . 74.04 111.405 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -57.35 -29.77 64.28 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.631 0.604 . . . . 63.12 112.631 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.72 -9.83 84.89 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.957 -0.64 . . . . 63.41 113.949 -178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.6 t -100.93 128.41 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 117.325 0.563 . . . . 63.22 111.679 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.09 -20.74 13.32 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.42 0.526 . . . . 74.21 112.42 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.605 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.2 p -126.01 124.91 41.74 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.346 0.593 . . . . 62.15 111.91 177.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.21 104.88 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 109.207 -0.664 . . . . 71.53 109.207 172.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -137.01 161.24 36.6 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.276 0.473 . . . . 72.22 112.276 -168.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -84.22 136.02 34.12 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.045 0.45 . . . . 75.22 111.496 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 9' ' ' ARG . 97.9 mt -82.18 97.76 8.38 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.16 169.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.8 p -75.37 -60.78 2.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.089 0.471 . . . . 63.1 110.938 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -68.31 105.08 2.03 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.126 -0.488 . . . . 72.0 111.283 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 N--CA 1.467 0.406 0 CA-C-N 116.121 -0.49 . . . . 74.44 111.778 -178.597 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 CA--C 1.538 0.504 0 CA-C-O 120.612 0.244 . . . . 62.41 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -129.12 158.77 38.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.217 0.532 . . . . 75.53 111.173 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 47.1 tp -77.03 107.04 9.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.834 -0.621 . . . . 74.33 110.797 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.441 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -101.18 154.38 18.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.117 -0.492 . . . . 54.34 112.101 -177.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' B' ' 49' ' ' LEU . . . -131.26 142.65 14.04 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.203 -0.453 . . . . 70.34 113.081 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.74 HD12 HD23 ' B' ' 49' ' ' LEU . 46.4 mt -127.44 145.45 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 122.476 -0.426 . . . . 65.42 111.53 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.678 HH21 ' ND2' ' B' ' 48' ' ' ASN . 17.6 tpp85 -119.79 121.53 39.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.741 0.416 . . . . 73.4 111.255 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.794 HD11 HD13 ' B' ' 66' ' ' LEU . 42.5 mt -119.44 118.1 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.406 -0.361 . . . . 75.53 111.163 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.577 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 74.6 t -120.31 116.94 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.385 0.612 . . . . 74.24 111.028 174.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.43 171.08 26.6 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.694 -0.685 . . . . 54.51 112.899 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.74 138.57 48.58 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.459 0.647 . . . . 72.32 112.365 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -78.41 85.02 4.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.816 -0.629 . . . . 73.53 111.898 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -96.03 161.16 14.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.536 0.684 . . . . 73.45 112.441 170.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -47.58 -37.03 11.56 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.605 -1.179 . . . . 72.24 112.9 -175.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.11 -0.68 20.86 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.944 -0.646 . . . . 22.55 114.151 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.469 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 34.7 mmm -69.32 -52.0 31.57 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 117.808 0.804 . . . . 65.42 112.9 -176.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 67.7 p -63.09 -28.99 70.46 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.3 0.571 . . . . 72.41 111.051 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.544 ' ND2' HG13 ' A' ' 33' ' ' ILE . 11.6 m120 -76.1 -48.33 21.12 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.902 -0.59 . . . . 73.41 111.089 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.535 ' O ' HG23 ' B' ' 25' ' ' VAL . 10.1 pt20 -66.78 -38.49 86.65 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.063 -0.517 . . . . 61.12 111.336 -177.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.542 ' O ' HG12 ' B' ' 26' ' ' ILE . 11.9 mm -60.81 -54.17 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 112.006 0.373 . . . . 54.34 112.006 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.1 m -70.52 -26.94 63.81 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.466 0.65 . . . . 75.43 110.449 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.61 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -60.18 -52.28 53.73 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 120.979 -0.629 . . . . 64.33 112.277 172.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 21' ' ' GLN . 88.2 t -57.09 -38.08 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 120.696 0.284 . . . . 64.31 111.161 177.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.702 HD12 HD22 ' B' ' 49' ' ' LEU . 51.2 mm -52.76 -47.85 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 121.403 0.62 . . . . 45.02 110.921 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' ASN . 5.6 m -61.12 -30.59 70.46 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.656 -0.702 . . . . 75.41 111.391 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 44.7 mtpt -81.49 -0.29 41.17 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.999 -0.546 . . . . 62.1 112.334 -173.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -72.54 169.49 16.37 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.565 0.698 . . . . 73.01 112.537 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -27.53 57.72 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.364 -0.835 . . . . 61.53 111.526 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 9.9 t -86.43 168.82 13.43 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.766 -0.652 . . . . 63.11 112.607 -172.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -99.45 128.43 45.56 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.964 -0.562 . . . . 63.35 110.837 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.51 ' HA ' HG22 ' B' ' 51' ' ' ILE . 64.7 mt -76.51 112.38 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 112.52 0.563 . . . . 54.1 112.52 -175.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -84.63 -40.63 17.22 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.017 0.437 . . . . 61.02 110.85 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.511 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 31.2 m -152.11 133.33 14.4 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.921 0.391 . . . . 63.12 111.517 178.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.628 HG22 ' HB3' ' A' ' 38' ' ' LEU . 9.3 tp -138.24 131.5 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 120.921 0.391 . . . . 73.33 110.426 174.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.52 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 85.1 t -126.29 141.88 44.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.477 -0.329 . . . . 64.33 110.841 178.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.628 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.0 tt -144.65 112.67 6.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.392 -0.596 . . . . 65.44 109.392 169.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.421 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 3.0 p-10 -125.67 115.98 20.96 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.218 0.533 . . . . 71.23 111.047 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -103.35 129.81 50.49 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.737 0.643 . . . . 51.51 112.737 -175.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.493 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 0.1 OUTLIER -144.45 151.85 39.79 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.688 -0.687 . . . . 70.44 110.605 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 67.01 9.46 6.92 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 112.356 0.502 . . . . 70.2 112.356 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.87 15.73 59.08 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 120.915 -0.659 . . . . 14.1 112.637 -173.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.5 mt -131.35 159.94 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 122.898 0.479 . . . . 74.03 109.779 175.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.562 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 42.7 p90 -129.37 148.98 51.34 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.942 -0.474 . . . . 75.43 111.449 177.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -122.81 101.05 7.22 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.274 0.559 . . . . 63.33 111.446 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.607 ' HB3' ' HB ' ' B' ' 10' ' ' ILE . 45.8 t -88.02 131.52 34.61 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.104 -0.498 . . . . 72.0 111.998 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.678 ' ND2' HH21 ' B' ' 9' ' ' ARG . 3.3 m-20 -113.25 108.19 16.92 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.304 -0.407 . . . . 72.4 110.455 177.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.74 HD23 HD12 ' B' ' 8' ' ' ILE . 39.2 tp -98.43 128.45 44.81 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.695 0.283 . . . . 70.32 111.692 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.511 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 63.2 mmm -125.17 106.29 9.79 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.921 0.391 . . . . 51.12 111.303 177.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.51 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -145.86 159.86 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.095 0.474 . . . . 55.11 111.931 -176.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -87.49 131.03 34.49 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.085 0.469 . . . . 75.34 111.823 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 20.1 m -122.23 141.83 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 121.049 0.452 . . . . 74.53 111.534 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.581 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 18.3 ptpt -69.36 -25.9 64.4 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.135 -0.484 . . . . 71.34 112.274 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.581 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 8.9 p30 -158.39 169.76 23.75 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.892 0.377 . . . . 63.23 111.57 177.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.0 p -68.81 -36.98 78.92 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.222 0.452 . . . . 64.24 112.222 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.33 -34.58 78.67 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.36 0.6 . . . . 73.41 110.374 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -58.07 -44.13 87.34 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.719 -0.673 . . . . 72.2 110.515 172.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.442 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 61.4 tp -63.77 -47.51 80.67 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.955 -0.566 . . . . 61.42 111.351 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . 0.499 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 71.7 p -66.11 -29.84 70.23 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.56 -0.291 . . . . 63.22 111.253 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 45.3 m -61.74 -42.75 99.38 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.793 0.33 . . . . 60.03 111.019 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 64.2 mt -59.18 -40.86 86.99 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.713 0.292 . . . . 74.52 110.79 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.499 ' SD ' ' HA ' ' B' ' 60' ' ' THR . 55.3 mtt -54.04 -51.65 63.34 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.091 0.472 . . . . 73.42 110.848 174.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.422 ' O ' ' HE2' ' B' ' 68' ' ' LYS . 20.6 t70 -58.12 -44.6 87.82 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.688 -0.687 . . . . 62.13 110.869 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -57.52 -45.4 85.04 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.079 0.466 . . . . 74.42 111.68 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.794 HD13 HD11 ' B' ' 10' ' ' ILE . 41.2 mt -75.71 -26.39 57.48 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.989 -0.55 . . . . 74.31 111.631 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -74.93 -8.7 57.24 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.319 -0.4 . . . . 75.34 112.0 -177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' B' ' 64' ' ' ASP . 72.5 mmtt -72.75 -18.64 61.49 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.698 0.285 . . . . 61.32 111.668 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 45.0 t -75.98 120.34 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.04 0.448 . . . . 61.11 111.812 -175.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -32.24 48.71 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.035 0.754 . . . . 61.23 113.035 -177.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.26 -24.98 72.0 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 121.15 -0.548 . . . . 71.24 113.658 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 52.7 t -86.69 136.74 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 122.266 -0.549 . . . . 73.24 111.437 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -122.02 -7.01 8.93 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.08 0.4 . . . . 73.34 112.08 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.577 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.2 p -137.93 121.94 17.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.978 0.418 . . . . 74.44 111.319 174.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 34.4 t -132.15 104.84 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 N-CA-C 109.855 -0.424 . . . . 72.02 109.855 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -128.13 175.26 8.56 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.241 0.543 . . . . 54.23 112.43 -172.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.441 ' HB2' ' HE2' ' B' ' 63' ' ' MET . 31.2 ttp180 -98.18 142.07 30.32 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.858 -0.61 . . . . 73.13 111.374 175.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' B' ' 9' ' ' ARG . 93.4 mt -95.61 121.73 37.61 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.543 -0.299 . . . . 52.44 110.545 174.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 33.1 t -99.83 -40.83 7.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.871 0.367 . . . . 73.21 111.306 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -83.53 82.68 8.19 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.622 0.725 . . . . 73.13 111.229 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.4 mt . . . . . 0 N--CA 1.468 0.436 0 CA-C-N 115.745 -0.662 . . . . 72.04 112.596 -176.341 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.0 p90 . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 120.976 0.417 . . . . 73.45 111.288 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.7 tp -84.33 105.54 15.25 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.17 0.509 . . . . 62.45 111.073 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.74 161.01 14.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 74.33 111.617 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -139.26 146.32 17.89 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 120.987 -0.625 . . . . 54.43 113.438 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.0 mt -135.18 127.72 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.596 0.359 . . . . 64.32 110.592 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HB2' HD21 ' A' ' 78' ' ' LEU . 16.3 ttt180 -102.47 127.06 49.68 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.158 0.504 . . . . 73.14 111.491 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.429 HD11 HD13 ' A' ' 66' ' ' LEU . 36.0 mt -116.01 117.73 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 115.718 -0.674 . . . . 71.31 111.211 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.611 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 68.8 t -119.58 115.48 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 121.535 0.683 . . . . 61.1 110.802 173.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.04 169.36 24.99 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.449 -0.796 . . . . 54.3 112.443 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -75.98 129.67 37.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.228 0.537 . . . . 64.42 111.825 -176.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -72.37 117.0 13.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.103 -0.499 . . . . 62.51 110.761 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -163.93 135.55 4.73 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.314 0.487 . . . . 64.33 112.314 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 p30 41.84 22.08 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.136 1.532 . . . . 73.33 115.136 173.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.79 22.71 7.87 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 121.072 -0.585 . . . . 61.22 114.342 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.481 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 24.4 mmm -53.8 -44.18 69.95 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.118 0.485 . . . . 74.32 111.613 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 64.1 p -59.56 -30.17 68.45 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.262 -0.426 . . . . 74.25 111.726 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.421 ' OD1' ' HA ' ' B' ' 32' ' ' ASN . 14.0 m120 -76.72 -49.32 16.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.96 0.41 . . . . 74.04 110.814 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.481 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.0 pt20 -64.33 -40.93 96.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.224 -0.443 . . . . 74.11 111.521 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 22' ' ' ILE . 11.2 mm -56.86 -53.61 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.494 0.553 . . . . 62.44 112.494 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.497 HG21 HG21 ' B' ' 23' ' ' THR . 17.4 m -73.77 -27.44 61.16 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.074 0.464 . . . . 74.32 110.618 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.23 98.32 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.03 -0.605 . . . . 72.01 112.33 173.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 21' ' ' GLN . 87.2 t -67.24 -38.94 81.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.916 0.388 . . . . 54.32 111.105 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG21 HD13 ' A' ' 49' ' ' LEU . 61.9 mt -53.89 -44.31 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 N-CA-C 112.318 0.488 . . . . 73.33 112.318 178.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.8 p -60.24 -22.33 62.9 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.236 0.458 . . . . 71.14 112.236 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -80.63 -5.26 56.65 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 112.517 0.562 . . . . 72.33 112.517 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -67.53 173.42 4.15 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.942 0.719 . . . . 72.25 112.942 -176.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.44 7.88 10.76 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.697 -0.683 . . . . 73.45 111.813 -178.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -134.43 168.81 18.26 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.437 0.532 . . . . 52.33 112.437 -172.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.643 ' HA ' HD21 ' B' ' 20' ' ' ASN . 22.2 m120 -105.82 127.94 53.42 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.207 0.527 . . . . 73.23 111.721 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.489 ' HA ' HG22 ' A' ' 51' ' ' ILE . 3.1 mp -70.79 121.59 20.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.891 -0.595 . . . . 63.25 111.2 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.22 -23.45 16.17 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.073 0.463 . . . . 72.53 111.12 176.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 70.5 m -155.59 132.69 10.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.157 -0.474 . . . . 71.12 110.927 177.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.695 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.7 tp -137.98 126.43 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 120.919 0.39 . . . . 72.12 110.389 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.5 t -126.63 104.32 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 120.707 0.289 . . . . 70.33 110.921 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.532 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.5 tt -115.43 114.89 25.67 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.918 -0.401 . . . . 71.31 109.918 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.485 ' HB3' HG23 ' B' ' 35' ' ' THR . 4.2 p-10 -130.82 119.85 22.85 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.398 0.618 . . . . 72.43 111.545 178.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -99.63 123.27 43.74 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.818 -0.628 . . . . 61.22 111.582 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.517 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -137.54 145.33 42.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.098 -0.501 . . . . 64.13 110.796 178.28 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 57.61 19.79 5.71 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.89 0.7 . . . . 75.13 112.89 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.41 0.8 59.39 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.206 -0.521 . . . . 71.45 113.968 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.95 159.71 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 117.057 0.429 . . . . 74.21 110.057 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.534 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 42.7 p90 -127.67 146.17 50.65 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 122.212 -0.305 . . . . 71.54 111.303 177.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.414 HG23 ' OD1' ' A' ' 39' ' ' ASN . 2.0 t -122.06 99.85 6.66 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.101 0.477 . . . . 74.21 110.865 174.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.695 ' SG ' HD11 ' A' ' 36' ' ' ILE . 52.9 t -96.93 118.46 33.4 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.449 -0.341 . . . . 64.03 111.641 -178.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.456 ' O ' HD12 ' A' ' 36' ' ' ILE . 70.1 m-20 -99.11 112.34 24.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.815 0.34 . . . . 74.31 110.757 178.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.473 HD13 HG21 ' A' ' 26' ' ' ILE . 33.6 tp -97.34 123.87 41.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.15 -0.477 . . . . 71.03 111.413 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.429 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 63.5 mmm -118.97 111.72 18.69 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.028 0.442 . . . . 75.24 111.23 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.489 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -140.53 158.43 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.011 -0.54 . . . . 63.22 111.836 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -92.0 133.7 35.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.91 0.386 . . . . 74.42 111.948 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.05 153.0 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 116.246 -0.434 . . . . 70.32 111.217 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . 41.5 mtmt -85.74 -31.8 22.22 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.239 0.542 . . . . 75.55 110.566 173.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -137.12 148.6 46.78 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.853 -0.612 . . . . 54.21 111.757 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.4 p -64.77 -20.47 66.38 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.304 -0.407 . . . . 74.32 111.4 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.4 -49.99 75.37 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.249 -0.432 . . . . 73.43 111.351 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.88 -32.81 73.2 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.951 0.405 . . . . 64.24 109.941 177.573 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.7 tp -65.48 -47.55 75.65 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.948 -0.569 . . . . 65.31 111.456 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.7 p -68.74 -30.34 68.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.104 0.478 . . . . 62.44 111.143 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 95.3 m -61.4 -43.41 98.91 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.286 -0.416 . . . . 63.54 111.115 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 58' ' ' LYS . 63.7 mt -59.33 -38.33 80.05 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.501 -0.318 . . . . 72.42 111.217 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.8 mtt -54.55 -50.56 67.62 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.279 -0.418 . . . . 62.14 111.092 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 18.8 t70 -57.09 -43.5 82.25 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.231 -0.441 . . . . 73.45 110.95 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -58.23 -45.01 88.51 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.264 0.554 . . . . 75.21 111.245 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.429 HD13 HD11 ' A' ' 10' ' ' ILE . 64.7 mt -68.53 -32.14 71.88 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.056 -0.52 . . . . 73.45 111.429 178.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -75.01 -8.76 57.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.283 -0.417 . . . . 62.34 111.816 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.576 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -72.4 -12.82 61.27 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.631 0.253 . . . . 73.54 111.235 175.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 68.8 t -86.52 123.96 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.214 0.531 . . . . 71.03 111.375 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -59.58 -34.44 72.72 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.399 0.518 . . . . 74.45 112.399 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.22 -20.32 74.91 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 121.032 -0.604 . . . . 62.31 114.325 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.3 t -93.17 145.97 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 117.839 0.819 . . . . 71.35 111.831 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -127.68 -11.23 5.55 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.752 0.649 . . . . 72.31 112.752 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.611 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.4 p -134.55 124.28 25.22 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.877 -0.515 . . . . 74.42 111.816 175.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.6 t -135.99 106.4 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.703 -0.48 . . . . 74.2 109.703 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -128.47 163.38 25.04 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.405 0.52 . . . . 55.11 112.405 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -85.04 142.93 29.22 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.051 0.453 . . . . 75.15 111.418 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 9' ' ' ARG . 96.7 mt -105.05 100.81 10.4 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.839 0.352 . . . . 74.41 110.824 175.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 p -79.99 -60.82 2.19 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.124 0.488 . . . . 74.14 111.206 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -72.92 119.36 17.06 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.046 -0.524 . . . . 74.33 110.4 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 CA--C 1.537 0.453 0 CA-C-O 121.293 0.568 . . . . 71.35 112.306 -175.182 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 121.289 0.566 . . . . 74.15 112.421 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -151.85 158.47 43.29 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.912 -0.585 . . . . 74.23 111.102 177.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.8 tp -77.56 109.02 11.15 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.018 -0.537 . . . . 75.22 111.083 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.449 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -102.61 158.94 15.88 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.968 -0.56 . . . . 75.34 111.849 -178.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.07 137.74 9.47 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.221 -0.514 . . . . 23.53 113.342 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 mt -121.93 147.18 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 122.74 0.416 . . . . 32.11 110.754 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.589 ' NE ' HG23 ' B' ' 11' ' ' VAL . 0.5 OUTLIER -122.25 118.46 28.6 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.543 -0.298 . . . . 55.13 110.199 -179.114 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.606 HD11 HD13 ' B' ' 66' ' ' LEU . 34.3 mt -115.04 118.62 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 122.389 0.276 . . . . 64.44 111.448 -176.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.589 HG23 ' NE ' ' B' ' 9' ' ' ARG . 55.4 t -119.72 120.26 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.247 0.546 . . . . 43.5 111.781 175.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.23 169.24 28.92 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.731 -0.668 . . . . 75.33 112.851 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.65 137.44 58.1 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 122.446 -0.444 . . . . 71.52 111.973 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -79.43 46.32 0.73 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.764 0.653 . . . . 75.31 112.764 -170.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -61.94 158.24 16.69 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 114.797 1.406 . . . . 73.2 114.797 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.08 64.88 0.06 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 113.48 -1.691 . . . . 53.41 111.472 171.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.31 -38.35 0.59 Allowed Glycine 0 CA--C 1.528 0.873 0 CA-C-N 116.056 -0.52 . . . . 54.2 113.179 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.575 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 35.0 mmm -52.68 -50.61 62.94 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.697 0.629 . . . . 71.21 112.697 -178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -56.73 -31.74 64.83 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.023 0.379 . . . . 65.15 112.023 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.643 HD21 ' HA ' ' A' ' 32' ' ' ASN . 1.8 m-20 -76.82 -48.3 18.89 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.108 0.48 . . . . 63.35 110.877 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.511 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 8.5 pt20 -65.55 -34.55 78.52 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.033 -0.53 . . . . 74.54 111.531 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.433 ' O ' HG13 ' B' ' 26' ' ' ILE . 10.0 mm -62.22 -53.78 43.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 111.923 0.342 . . . . 71.02 111.923 -178.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.497 HG21 HG21 ' A' ' 23' ' ' THR . 4.7 m -73.49 -27.13 61.22 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.034 0.445 . . . . 71.42 110.463 177.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.433 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -58.94 -48.39 85.95 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.277 -0.487 . . . . 64.34 112.475 173.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.18 -36.1 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 O-C-N 122.328 -0.513 . . . . 74.44 110.946 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' B' ' 29' ' ' PHE . 77.7 mt -62.74 -36.81 77.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 111.906 0.336 . . . . 63.21 111.906 176.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 82.7 p -70.56 -22.81 62.55 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.887 -0.508 . . . . 73.23 110.786 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 50.1 mtpt -82.11 -5.54 58.5 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.259 -0.428 . . . . 72.02 111.551 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . 0.451 ' CE1' ' HD3' ' B' ' 65' ' ' LYS . 2.3 m-30 -64.66 160.57 19.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.548 1.166 . . . . 72.43 113.85 -173.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.71 -27.87 68.65 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.5 -1.682 . . . . 72.13 112.329 177.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.4 t -105.19 169.22 8.57 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.351 0.5 . . . . 72.5 112.351 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.51 ' O ' HG22 ' B' ' 51' ' ' ILE . 14.6 m120 -97.99 128.92 44.85 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.991 0.424 . . . . 72.22 111.755 -176.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.5 103.47 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 116.205 -0.452 . . . . 71.31 111.395 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -82.13 -38.39 24.84 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.378 0.608 . . . . 75.13 110.302 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.595 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 27.3 m -155.7 152.42 28.57 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.619 -0.719 . . . . 73.13 109.956 175.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.532 HG22 ' HB3' ' A' ' 38' ' ' LEU . 20.1 tt -162.35 135.8 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 121.051 0.453 . . . . 70.22 111.893 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 62.5 t -130.73 109.92 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.049 -0.523 . . . . 75.53 111.083 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.603 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.1 tt -110.02 112.21 24.07 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.975 -0.38 . . . . 62.13 109.975 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -131.66 135.24 46.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 120.989 0.423 . . . . 72.02 111.547 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -108.6 129.14 55.32 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.174 0.511 . . . . 73.1 112.08 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.71 151.39 37.93 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.878 -0.601 . . . . 71.42 110.43 175.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 61.4 13.35 4.95 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.079 0.466 . . . . 72.54 111.767 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.19 19.12 61.38 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-N 116.377 -0.374 . . . . 75.41 113.063 -176.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mt -135.03 145.94 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 122.461 -0.435 . . . . 71.34 110.216 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.508 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 36.1 p90 -115.45 144.37 43.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.011 0.434 . . . . 64.11 111.251 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.58 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 2.5 t -118.14 107.27 13.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 72.52 111.112 175.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.477 ' SG ' HD11 ' B' ' 36' ' ' ILE . 47.8 t -94.26 97.43 10.24 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.19 -0.459 . . . . 71.31 111.172 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 3.1 m-20 -83.56 111.76 19.39 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.4 -0.364 . . . . 75.1 111.314 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.404 HD13 HD12 ' B' ' 36' ' ' ILE . 54.4 tp -99.99 130.7 46.18 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.954 0.407 . . . . 73.42 111.807 -178.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.595 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.0 mmm -120.95 113.62 20.36 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.936 0.398 . . . . 64.24 110.774 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.51 HG22 ' O ' ' B' ' 32' ' ' ASN . 2.3 pp -144.68 162.15 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 116.336 -0.393 . . . . 73.4 111.695 -176.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -90.35 135.48 33.65 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.102 0.477 . . . . 74.11 111.765 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 12.9 m -129.47 160.15 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.142 -0.481 . . . . 65.42 110.768 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -88.74 -11.6 44.6 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.762 0.315 . . . . 60.01 111.808 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 5.6 p30 -175.28 163.83 3.13 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.859 0.463 . . . . 75.41 110.584 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.7 p -64.45 -29.7 70.75 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.626 0.602 . . . . 73.34 112.626 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.32 -36.07 78.74 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.922 0.868 . . . . 53.21 110.125 177.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 22.7 tptp -62.35 -29.8 70.72 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.173 -0.921 . . . . 75.44 110.795 172.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.626 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 58.8 tp -77.13 -48.05 18.75 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.929 -0.578 . . . . 70.11 111.485 177.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 68.7 p -58.65 -37.61 76.34 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.032 0.444 . . . . 74.05 111.356 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 31.7 m -52.22 -40.24 61.33 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.04 -0.527 . . . . 63.51 112.007 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.24 -33.8 73.83 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.845 0.355 . . . . 74.2 110.97 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.626 ' HE3' ' HG ' ' B' ' 59' ' ' LEU . 51.1 mtt -61.72 -46.6 88.97 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.001 0.429 . . . . 64.33 110.62 176.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.442 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 34.8 t70 -57.83 -45.77 85.68 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.999 -0.546 . . . . 63.32 110.772 176.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.451 ' HD3' ' CE1' ' B' ' 29' ' ' PHE . 72.9 mttt -53.71 -49.59 67.74 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.215 0.531 . . . . 74.3 111.804 175.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.606 HD13 HD11 ' B' ' 10' ' ' ILE . 43.7 mt -70.71 -29.36 65.62 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.869 -0.605 . . . . 62.25 111.782 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -76.89 -8.22 56.95 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 120.704 0.288 . . . . 75.51 111.659 -177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 68.6 mmtt -74.07 -5.98 44.82 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.615 0.245 . . . . 65.21 111.56 176.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.434 HG12 ' H ' ' B' ' 71' ' ' GLY . 66.3 t -86.52 128.93 39.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 120.963 0.411 . . . . 71.42 111.601 -176.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -64.72 -30.09 71.09 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.759 0.651 . . . . 63.12 112.759 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.575 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -79.95 -17.74 74.07 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 120.834 -0.698 . . . . 71.03 114.106 -177.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.572 HG23 ' HE1' ' B' ' 18' ' ' MET . 58.9 t -95.81 141.28 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 117.372 0.586 . . . . 65.11 111.437 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.05 -20.06 9.49 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.233 0.457 . . . . 75.14 112.233 177.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.52 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.3 p -131.12 118.87 21.11 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.862 0.363 . . . . 63.31 111.847 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.485 HG11 ' HB2' ' B' ' 66' ' ' LEU . 21.8 t -130.74 103.25 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 109.733 -0.469 . . . . 64.41 109.733 171.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -129.9 177.92 6.91 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.092 0.472 . . . . 53.2 111.683 -173.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -92.23 145.48 24.46 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.212 0.53 . . . . 70.52 112.026 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -93.27 100.33 12.71 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.07 -0.514 . . . . 55.45 110.155 171.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 34.3 t -80.31 -21.25 42.75 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.208 -0.451 . . . . 71.03 112.05 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -112.68 108.72 17.87 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.721 0.296 . . . . 65.31 111.218 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 63.7 mt . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 121.036 0.446 . . . . 74.02 111.605 -179.64 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 p90 . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 120.972 0.415 . . . . 75.4 110.724 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.8 tp -79.75 107.08 12.25 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.093 0.473 . . . . 74.41 110.641 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.514 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -96.32 144.73 26.22 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.101 0.408 . . . . 64.23 112.101 -177.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.27 137.64 13.82 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 121.373 -0.442 . . . . 72.32 113.241 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.484 HD12 HD23 ' A' ' 49' ' ' LEU . 35.8 mt -126.71 148.82 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.01 0.524 . . . . 71.22 110.371 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' HD21 ' A' ' 78' ' ' LEU . 59.7 ttt180 -131.14 121.88 25.67 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.844 0.355 . . . . 72.32 111.01 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.778 HD11 HD13 ' A' ' 66' ' ' LEU . 28.7 mt -113.03 116.68 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 116.1 -0.5 . . . . 65.33 110.929 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.617 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.9 t -116.95 114.6 46.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.581 0.705 . . . . 63.34 111.555 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.21 172.55 26.78 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 115.46 -0.791 . . . . 54.41 112.631 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 71' ' ' GLY . 15.3 pt-20 -65.27 139.07 58.58 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.974 0.416 . . . . 72.12 111.56 -178.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -78.56 45.78 0.6 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 112.793 0.664 . . . . 73.42 112.793 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -63.35 161.0 14.83 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 114.212 1.19 . . . . 74.23 114.212 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -45.38 -33.83 2.74 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 113.426 -1.715 . . . . 73.14 114.282 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.25 -0.09 8.12 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 120.801 -0.714 . . . . 41.23 114.097 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.595 ' SD ' ' HA3' ' A' ' 71' ' ' GLY . 38.2 mmm -68.43 -52.03 37.26 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.062 0.764 . . . . 73.34 113.062 -175.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.7 p -60.51 -31.09 70.16 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.09 0.471 . . . . 74.33 111.459 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -75.79 -47.76 24.48 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.979 -0.555 . . . . 54.41 110.771 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.485 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.4 pt20 -67.16 -35.24 79.25 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.036 0.384 . . . . 74.13 112.036 -177.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.2 mm -60.57 -53.32 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.213 0.449 . . . . 72.12 112.213 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 m -71.03 -27.65 63.82 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.098 0.475 . . . . 74.31 110.54 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.09 -45.15 95.7 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 121.166 -0.54 . . . . 73.35 112.445 172.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 21' ' ' GLN . 96.4 t -64.74 -37.72 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 121.117 0.484 . . . . 65.03 111.009 175.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.448 HG21 HD13 ' A' ' 49' ' ' LEU . 69.0 mt -59.06 -39.31 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.095 0.474 . . . . 75.51 111.392 175.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 m -58.67 -22.3 56.57 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.241 0.543 . . . . 75.41 111.503 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -84.49 -1.68 56.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.196 -0.456 . . . . 72.35 112.109 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -74.59 161.37 29.78 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.343 0.592 . . . . 75.23 112.044 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -24.06 58.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.776 -0.647 . . . . 75.11 111.428 -178.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.483 HG21 HD13 ' A' ' 51' ' ' ILE . 4.2 t -91.19 165.41 13.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.147 0.795 . . . . 73.31 113.147 -170.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -88.89 126.3 35.32 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.681 -0.691 . . . . 62.1 111.311 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' B' ' 20' ' ' ASN . 66.9 mt -67.33 94.49 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.226 0.536 . . . . 75.35 110.635 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -73.25 -35.47 66.24 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.389 0.614 . . . . 54.22 110.53 -178.043 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.537 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 23.5 m -158.46 149.42 20.56 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.466 -0.788 . . . . 41.34 110.048 178.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.426 HD12 HD13 ' A' ' 49' ' ' LEU . 18.6 tt -158.15 135.83 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 120.966 0.412 . . . . 75.23 111.684 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.574 HG22 HG13 ' B' ' 37' ' ' VAL . 60.3 t -132.28 104.71 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 116.188 -0.46 . . . . 75.53 111.422 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.545 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.1 tt -107.28 125.11 50.74 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.532 -0.544 . . . . 73.23 109.532 174.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.424 ' O ' ' HA ' ' A' ' 45' ' ' PHE . 8.5 p30 -139.47 127.81 22.74 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.763 0.316 . . . . 65.12 111.2 175.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -93.09 100.2 12.65 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.309 0.576 . . . . 60.23 111.186 176.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.648 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -112.6 139.06 48.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.951 -0.568 . . . . 73.2 110.301 179.078 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.6 t70 63.77 17.46 10.49 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.391 0.615 . . . . 65.43 111.484 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.72 5.52 71.36 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 116.208 -0.451 . . . . 60.51 113.354 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.422 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 8.9 mt -129.07 144.52 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 122.251 -0.558 . . . . 73.41 110.643 176.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.562 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 37.3 p90 -108.65 139.09 43.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.986 0.422 . . . . 63.3 111.704 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 t -115.35 100.54 8.19 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.098 0.475 . . . . 50.4 110.794 173.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.45 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 47.0 t -89.64 101.3 13.99 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.254 -0.43 . . . . 74.05 111.486 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -88.32 108.72 19.48 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.286 -0.416 . . . . 74.31 110.98 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.484 HD23 HD12 ' A' ' 8' ' ' ILE . 58.9 tp -98.21 135.2 40.2 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.67 0.388 . . . . 33.32 111.75 -178.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.537 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 64.7 mmm -125.95 110.35 13.5 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.962 0.41 . . . . 64.25 111.069 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.499 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -140.75 160.15 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 121.007 0.432 . . . . 74.34 111.978 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.409 ' HE2' ' HD2' ' A' ' 34' ' ' ARG . 19.2 m-85 -91.79 121.93 33.87 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.296 0.57 . . . . 70.31 112.048 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.9 m -111.58 145.49 17.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 115.844 -0.617 . . . . 71.24 111.402 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.477 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -75.29 -17.99 60.15 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.204 0.446 . . . . 72.0 112.204 176.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.477 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 11.3 p30 -169.59 179.34 3.82 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.87 0.366 . . . . 73.13 111.539 177.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.2 p -69.97 -35.82 74.75 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.286 0.476 . . . . 60.21 112.286 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.16 -36.85 85.39 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.521 0.677 . . . . 72.43 110.124 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -46.38 83.53 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.559 -0.746 . . . . 72.52 110.569 173.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.514 HD13 ' HB1' ' A' ' 6' ' ' ALA . 51.5 tp -65.89 -48.14 72.49 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 111.997 0.369 . . . . 63.45 111.997 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 79.9 p -64.6 -34.62 78.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.715 0.293 . . . . 61.54 111.267 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 74.6 m -61.64 -47.75 83.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.522 -0.308 . . . . 72.34 110.748 173.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.7 mt -56.39 -50.96 70.07 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.122 0.415 . . . . 73.3 112.122 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 61.9 mtm -61.87 -35.34 78.04 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.82 0.343 . . . . 74.12 111.184 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -65.65 -39.73 91.72 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.837 0.351 . . . . 75.4 110.335 175.415 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 61' ' ' THR . 56.8 mtpt -57.79 -51.23 70.45 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.235 0.541 . . . . 71.44 111.255 175.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.778 HD13 HD11 ' A' ' 10' ' ' ILE . 38.0 mt -66.72 -30.18 70.35 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.825 -0.625 . . . . 74.21 112.105 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.471 ' HA ' HG21 ' A' ' 75' ' ' VAL . 42.7 ttm180 -71.09 -8.41 53.24 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.096 0.406 . . . . 72.11 112.096 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 26.4 mmtp -88.89 9.47 24.73 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 122.02 -0.425 . . . . 73.44 112.032 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.66 112.28 26.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 121.164 0.507 . . . . 73.13 110.876 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.467 ' H ' ' CD ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -54.11 -22.74 11.8 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.689 0.996 . . . . 72.13 113.689 -178.421 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.595 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -77.28 -14.83 82.14 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.639 -0.791 . . . . 74.35 113.551 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.464 HG23 ' HE1' ' A' ' 18' ' ' MET . 51.9 t -103.39 143.63 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 122.437 -0.449 . . . . 63.45 111.364 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.75 -15.2 8.93 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.346 0.499 . . . . 75.3 112.346 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.617 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -133.0 123.92 26.76 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.07 0.462 . . . . 72.24 111.256 175.271 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.471 HG21 ' HA ' ' A' ' 67' ' ' ARG . 41.7 t -133.3 103.13 5.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 109.305 -0.628 . . . . 72.01 109.305 171.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -125.76 162.78 24.3 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.119 -0.492 . . . . 72.53 111.768 -169.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.409 HH11 ' CD2' ' A' ' 59' ' ' LEU . 23.8 ttt85 -87.19 139.74 30.26 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.212 0.529 . . . . 63.33 111.35 175.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 9' ' ' ARG . 95.8 mt -87.05 91.02 8.56 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.218 0.532 . . . . 50.41 110.171 174.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.9 m -63.32 -41.39 98.9 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.818 -0.628 . . . . 62.41 112.316 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -105.38 103.11 12.58 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.936 0.398 . . . . 52.21 110.999 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.2 mt . . . . . 0 CA--C 1.537 0.459 0 CA-C-O 121.388 0.613 . . . . 75.25 112.143 -177.263 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 120.602 0.239 . . . . 70.42 111.216 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -162.05 157.28 23.25 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.137 0.494 . . . . 72.33 111.358 170.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -81.08 104.12 11.35 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.995 -0.548 . . . . 72.3 110.522 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.596 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -95.48 130.24 42.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.101 -0.5 . . . . 64.45 112.054 -175.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.11 134.68 11.93 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-N 116.144 -0.48 . . . . 63.05 113.098 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.14 150.8 28.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 122.671 0.388 . . . . 72.5 110.664 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.487 ' HB2' HD21 ' B' ' 78' ' ' LEU . 74.6 ttt180 -123.9 127.12 47.53 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.941 -0.474 . . . . 53.33 111.065 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.438 HD12 HD11 ' B' ' 26' ' ' ILE . 34.5 mt -113.46 117.92 56.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.1 -0.5 . . . . 72.04 111.342 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.603 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 62.3 t -122.48 118.37 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.531 0.681 . . . . 64.24 110.916 174.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' B' ' 72' ' ' VAL . . . -142.86 166.83 26.49 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.52 -0.763 . . . . 62.14 112.25 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.93 122.81 18.2 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.411 0.624 . . . . 75.33 111.338 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -67.29 103.89 1.36 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.037 -0.529 . . . . 55.22 111.441 -177.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' B' ' 15' ' ' LYS . 7.9 mmpt? -103.42 -177.86 3.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.681 0.753 . . . . 75.12 112.145 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -43.49 -43.31 5.33 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.569 -1.196 . . . . 70.14 113.071 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.43 11.06 2.47 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.634 -0.793 . . . . 63.05 114.386 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.547 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 29.7 mmm -57.81 -49.65 75.93 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.584 0.587 . . . . 54.43 112.584 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.7 p -55.74 -36.44 67.27 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.91 0.386 . . . . 73.5 111.757 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.564 ' HA ' HD12 ' A' ' 33' ' ' ILE . 45.4 t-20 -76.43 -48.63 19.04 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.085 0.469 . . . . 75.54 110.873 -178.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.547 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -65.23 -35.91 82.51 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.311 -0.404 . . . . 73.42 111.492 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.493 HG13 ' CZ ' ' B' ' 45' ' ' PHE . 10.5 mm -64.01 -53.16 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.054 0.39 . . . . 61.11 112.054 -178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.407 ' HA ' HD12 ' B' ' 26' ' ' ILE . 14.1 m -67.37 -27.14 66.86 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.255 0.55 . . . . 73.33 109.988 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.76 -51.72 57.31 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 115.877 -0.601 . . . . 41.41 112.049 169.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 21' ' ' GLN . 90.1 t -56.31 -37.43 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.242 0.544 . . . . 72.52 110.952 175.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.438 HD11 HD12 ' B' ' 10' ' ' ILE . 72.8 mt -61.0 -43.3 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 116.004 -0.544 . . . . 73.25 111.474 175.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.8 p -69.83 -26.36 64.2 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.012 0.434 . . . . 42.23 110.647 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.473 ' HD3' ' HA ' ' B' ' 25' ' ' VAL . 56.1 mtpt -69.7 -6.92 34.93 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.26 -0.427 . . . . 72.21 111.834 176.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -66.94 174.35 3.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.792 0.806 . . . . 72.4 112.278 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.73 15.42 29.38 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.307 -0.86 . . . . 54.13 111.462 -176.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 t -128.86 165.81 20.3 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 120.992 0.425 . . . . 64.21 111.98 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.43 ' O ' HG22 ' B' ' 51' ' ' ILE . 27.3 t-20 -91.29 129.29 37.3 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.151 0.5 . . . . 53.2 112.047 -177.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.464 ' HA ' HG22 ' B' ' 51' ' ' ILE . 61.5 mt -76.26 101.07 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.145 -0.48 . . . . 53.14 111.328 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -74.22 -33.65 63.44 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.225 0.536 . . . . 74.34 110.55 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 18.6 m -157.47 149.85 22.77 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.7 -0.682 . . . . 65.1 110.606 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.545 HG22 ' HB3' ' A' ' 38' ' ' LEU . 18.0 tt -159.81 135.02 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 120.968 0.413 . . . . 70.04 111.405 173.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.574 HG13 HG22 ' A' ' 37' ' ' VAL . 59.3 t -134.91 105.19 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-O 120.767 0.317 . . . . 44.02 111.555 -178.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 35' ' ' THR . 9.2 tt -108.86 128.5 54.96 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.396 -0.19 . . . . 73.41 110.734 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -135.87 123.86 22.82 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.082 0.467 . . . . 73.3 111.062 170.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -96.24 119.27 34.43 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.07 0.462 . . . . 74.14 110.737 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.79 145.23 29.85 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.097 -0.501 . . . . 75.11 111.001 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 t70 63.56 19.14 11.55 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 112.673 0.62 . . . . 72.31 112.673 175.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.62 1.97 63.56 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 121.05 -0.595 . . . . 72.41 113.258 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -127.81 169.87 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.715 -0.476 . . . . 73.23 109.715 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.539 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 34.8 p90 -133.84 148.48 51.3 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.954 -0.466 . . . . 74.35 110.898 172.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.8 t -126.17 112.05 15.34 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.944 0.402 . . . . 52.43 110.82 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 51.9 t -108.1 112.43 24.96 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.301 -0.409 . . . . 75.02 111.418 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 3.3 m-20 -93.63 110.74 22.33 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.389 -0.369 . . . . 70.24 110.951 177.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.401 HD13 HG21 ' B' ' 26' ' ' ILE . 53.9 tp -98.58 137.4 37.29 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.954 0.407 . . . . 74.04 111.848 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.549 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 72.4 mmm -127.66 109.97 12.2 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.969 0.414 . . . . 63.43 111.253 176.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.7 pp -138.53 166.53 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 116.304 -0.407 . . . . 55.14 111.408 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -97.15 137.48 36.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.971 0.415 . . . . 72.51 111.828 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.8 m -128.66 153.97 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 116.169 -0.469 . . . . 71.2 111.025 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -88.29 -19.87 26.18 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.333 0.494 . . . . 71.12 112.333 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -156.25 172.23 18.84 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 120.991 0.424 . . . . 74.42 111.835 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 74.3 p -68.86 -34.48 75.53 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.723 0.638 . . . . 70.34 112.723 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.33 -36.8 85.13 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.442 0.639 . . . . 74.53 109.973 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -57.44 -42.94 83.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.229 -0.896 . . . . 73.14 110.722 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.596 HD13 ' HB1' ' B' ' 6' ' ' ALA . 29.0 tp -67.04 -47.55 71.05 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.92 -0.582 . . . . 73.21 111.503 177.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 64.6 p -65.78 -28.25 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.927 0.343 . . . . 75.34 111.927 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 98.2 m -66.31 -40.83 90.23 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.885 0.374 . . . . 45.43 111.094 177.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.92 -35.05 74.07 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.379 -0.373 . . . . 62.43 111.185 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 59.0 mtt -58.69 -51.61 69.23 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.28 -0.418 . . . . 72.2 110.812 176.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.01 -44.09 82.45 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.167 -0.47 . . . . 52.43 111.192 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -56.91 -42.35 79.78 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.227 -0.442 . . . . 71.01 111.666 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 60.2 mt -72.7 -38.0 67.67 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.143 0.497 . . . . 72.43 111.562 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.46 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 99.8 mtt180 -65.66 -6.72 12.18 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.422 0.527 . . . . 62.42 112.422 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -71.01 -20.3 62.42 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.118 -0.364 . . . . 72.22 111.307 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -84.43 108.12 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.57 0.7 . . . . 71.32 110.916 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . 0.406 ' CD ' ' H ' ' B' ' 70' ' ' GLN . 4.7 pm0 -47.12 -30.61 2.9 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.816 -1.084 . . . . 72.31 112.81 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.48 -27.47 72.57 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 121.23 -0.509 . . . . 65.21 113.887 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.451 ' HA ' ' HA3' ' B' ' 12' ' ' GLY . 57.2 t -88.96 143.45 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 122.328 -0.513 . . . . 74.1 111.24 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.57 -19.2 6.41 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.566 0.58 . . . . 73.34 112.566 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.603 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.7 p -127.23 120.34 28.48 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.073 0.463 . . . . 55.4 112.001 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.46 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 40.6 t -128.59 103.34 9.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.06 -0.719 . . . . 53.14 109.06 169.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -123.67 162.55 22.85 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.38 0.61 . . . . 64.52 112.64 -168.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.481 ' HG3' HD21 ' B' ' 59' ' ' LEU . 9.7 ttm180 -92.01 123.4 35.34 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.812 -0.631 . . . . 75.32 110.968 176.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' B' ' 9' ' ' ARG . 95.8 mt -69.61 -53.98 16.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.657 0.265 . . . . 70.23 111.18 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 38.9 t 66.56 -66.41 0.18 Allowed 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.669 0.618 . . . . 63.14 112.669 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.95 112.02 7.7 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.874 0.368 . . . . 63.11 110.609 177.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--O 1.233 0.232 0 CA-C-O 121.451 0.643 . . . . 62.11 111.619 -172.562 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.8 p90 . . . . . 0 C--O 1.235 0.336 0 CA-C-O 120.976 0.417 . . . . 73.23 110.655 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.0 tp -81.41 102.93 10.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.345 0.593 . . . . 74.21 110.81 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.424 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -93.89 145.53 24.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.718 -0.674 . . . . 70.22 111.997 -176.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -117.79 144.23 18.11 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.118 -0.563 . . . . 64.42 113.541 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.1 mt -130.99 130.7 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.631 0.373 . . . . 75.03 110.856 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -105.3 124.64 49.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.822 0.344 . . . . 72.22 111.339 177.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.738 HD11 HD13 ' A' ' 66' ' ' LEU . 47.9 mt -117.68 117.6 55.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.179 -0.464 . . . . 75.04 110.966 178.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.63 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 66.3 t -118.46 118.49 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 121.651 0.739 . . . . 62.21 111.381 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.92 170.87 25.1 Favored Glycine 0 CA--C 1.522 0.511 0 CA-C-N 115.339 -0.846 . . . . 71.11 111.904 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.97 142.69 49.4 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.22 0.533 . . . . 61.15 112.393 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.29 83.78 0.77 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.137 0.494 . . . . 62.31 111.366 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HB2' ' CG ' ' A' ' 18' ' ' MET . 34.6 mttp -101.36 154.82 18.46 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.319 0.581 . . . . 64.12 112.474 170.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -41.84 -39.03 1.66 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.326 1.232 . . . . 70.35 114.326 -176.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.46 2.08 15.97 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 120.789 -0.72 . . . . 64.44 113.932 -176.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.516 ' SD ' ' HA3' ' A' ' 71' ' ' GLY . 37.2 mmm -69.24 -51.47 37.3 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.803 0.668 . . . . 71.13 112.803 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.7 p -62.54 -31.66 72.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.955 0.407 . . . . 72.33 111.598 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -76.14 -48.07 21.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.87 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.9 pt20 -63.78 -38.3 90.59 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.493 -0.321 . . . . 73.44 111.53 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.436 HD11 ' CG2' ' A' ' 72' ' ' VAL . 11.2 mm -59.0 -53.96 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.854 0.359 . . . . 70.01 111.938 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -72.43 -27.18 62.17 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.307 0.575 . . . . 72.22 110.453 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.9 -46.55 93.92 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 121.194 -0.527 . . . . 73.45 112.151 172.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.552 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 84.4 t -62.71 -41.29 91.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.907 0.384 . . . . 75.31 110.776 175.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.433 HG21 HD13 ' A' ' 49' ' ' LEU . 72.6 mt -55.71 -44.88 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 116.165 -0.471 . . . . 71.04 111.76 175.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.5 p -65.92 -21.28 66.43 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.156 -0.34 . . . . 75.15 111.344 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 25' ' ' VAL . 53.5 mtmt -81.32 4.22 21.39 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.199 0.444 . . . . 74.51 112.199 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -79.49 167.84 20.24 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.626 0.726 . . . . 64.51 111.98 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -84.43 -21.45 30.73 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.531 -0.759 . . . . 64.4 111.795 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.2 t -87.35 158.13 19.1 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.18 0.514 . . . . 60.01 112.238 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -87.23 125.9 34.48 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.299 -0.41 . . . . 74.24 111.591 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' B' ' 20' ' ' ASN . 69.4 mt -69.39 104.04 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 116.385 -0.37 . . . . 73.35 110.971 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -83.99 -33.18 24.62 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.146 0.498 . . . . 64.34 110.647 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 61.4 m -155.1 132.3 10.99 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.996 -0.547 . . . . 53.44 110.908 175.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.67 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.6 tp -135.74 128.15 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.072 0.463 . . . . 74.23 110.373 174.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 62.8 t -126.16 142.56 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.535 -0.302 . . . . 71.51 110.533 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.634 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.2 tt -145.56 136.65 24.74 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.936 -0.394 . . . . 74.22 109.936 175.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 45' ' ' PHE . 8.7 p30 -151.02 128.77 11.58 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.777 0.323 . . . . 63.33 110.858 173.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -102.6 106.14 16.77 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.12 0.486 . . . . 52.13 111.484 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.694 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -121.92 145.37 48.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.703 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 63.05 7.78 2.9 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.545 0.572 . . . . 64.52 112.545 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.34 -1.14 46.65 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 121.315 -0.469 . . . . 55.24 113.329 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.0 mt -126.11 150.47 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 122.61 -0.347 . . . . 55.24 110.783 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 37.5 p90 -116.42 146.8 42.24 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.199 0.523 . . . . 64.22 111.792 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -121.58 106.76 11.66 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.951 -0.568 . . . . 70.5 110.938 174.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.67 ' SG ' HD11 ' A' ' 36' ' ' ILE . 49.7 t -95.07 123.03 38.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.294 -0.412 . . . . 73.44 111.568 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -103.73 108.65 20.03 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.53 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.459 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 40.8 tp -98.08 131.33 44.57 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.838 0.351 . . . . 65.52 111.863 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.568 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 63.8 mmm -127.89 112.5 14.78 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.395 -0.366 . . . . 73.43 111.318 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.437 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.6 pp -143.11 162.12 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 116.303 -0.408 . . . . 73.02 111.719 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -92.08 137.83 32.04 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.86 0.362 . . . . 65.11 111.968 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 m -132.55 152.04 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.812 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.472 ' H ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.5 -17.73 35.57 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.22 0.452 . . . . 73.51 112.22 179.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -154.25 167.82 28.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.778 0.323 . . . . 73.21 111.27 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -73.72 -31.33 63.32 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.841 0.682 . . . . 74.43 112.841 -175.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.21 -33.86 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.494 0.664 . . . . 75.42 110.625 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -57.16 -36.58 70.92 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.467 -0.788 . . . . 72.54 110.837 173.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.503 ' HG ' ' HE3' ' A' ' 63' ' ' MET . 61.3 tp -71.64 -47.68 52.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.998 -0.546 . . . . 63.25 111.684 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.4 p -62.92 -30.1 71.29 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.889 0.376 . . . . 63.13 111.73 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 100.0 m -61.62 -41.71 97.86 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.035 0.445 . . . . 74.23 111.462 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.38 -39.85 94.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.952 0.406 . . . . 64.15 111.577 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.505 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 58.2 mtt -52.18 -49.75 63.23 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.147 -0.479 . . . . 42.24 111.454 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.75 -42.47 93.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.254 -0.43 . . . . 64.34 110.818 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -58.55 -35.65 72.67 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.043 0.449 . . . . 73.32 111.446 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.738 HD13 HD11 ' A' ' 10' ' ' ILE . 64.1 mt -79.92 -26.7 40.04 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.972 -0.558 . . . . 52.23 111.778 179.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 63' ' ' MET . 1.0 OUTLIER -72.61 -7.4 50.05 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.207 0.447 . . . . 74.43 112.207 179.003 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -72.53 -6.98 47.66 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 111.793 0.294 . . . . 71.25 111.793 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.409 HG21 HD13 ' A' ' 22' ' ' ILE . 92.8 t -89.7 117.48 33.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-O 121.104 0.478 . . . . 52.34 111.519 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -54.72 -33.73 61.48 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.057 0.762 . . . . 64.35 113.057 -177.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.516 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -76.66 -12.71 84.21 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 121.092 -0.575 . . . . 51.13 114.292 -175.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.436 ' CG2' HD11 ' A' ' 22' ' ' ILE . 50.4 t -91.46 149.0 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 117.551 0.675 . . . . 72.43 111.748 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.38 -14.06 4.29 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.371 0.508 . . . . 70.45 112.371 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.63 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.1 p -131.98 125.2 30.99 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.01 0.433 . . . . 62.42 111.531 175.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.2 t -139.62 105.14 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 109.658 -0.497 . . . . 65.04 109.658 173.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -141.42 178.1 7.66 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.136 0.421 . . . . 62.42 112.136 -174.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -90.31 152.77 20.88 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.741 0.645 . . . . 75.51 112.741 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.7 mt -109.54 105.17 14.38 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.489 -0.778 . . . . 75.52 110.45 172.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.8 t -92.82 -20.58 20.57 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.758 0.314 . . . . 53.5 111.784 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -98.96 98.95 9.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.301 0.572 . . . . 73.31 111.187 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.5 mt . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 112.8 0.667 . . . . 74.2 112.8 -174.024 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 CA--C 1.542 0.65 0 CA-C-O 120.556 0.217 . . . . 63.13 110.716 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -137.62 158.82 43.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.246 0.546 . . . . 74.11 111.562 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.501 ' O ' HD11 ' B' ' 81' ' ' LEU . 56.4 tp -78.66 104.79 9.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 72.03 110.528 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.517 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -93.52 127.61 39.26 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.893 0.378 . . . . 74.21 111.524 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.0 147.78 17.48 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.326 -0.464 . . . . 74.25 112.591 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.487 HD12 HD23 ' B' ' 49' ' ' LEU . 58.1 mt -133.49 126.72 52.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 117.227 0.514 . . . . 54.1 111.535 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.511 ' HB2' HD21 ' B' ' 78' ' ' LEU . 11.4 tpp85 -97.18 118.79 34.4 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.843 0.354 . . . . 64.25 111.182 175.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.557 HD11 HD13 ' B' ' 66' ' ' LEU . 41.9 mt -117.28 118.08 57.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 116.506 -0.315 . . . . 51.04 111.23 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.603 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 54.8 t -122.23 122.55 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.535 0.683 . . . . 71.33 111.575 175.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.09 171.12 31.44 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.66 -0.7 . . . . 71.41 112.951 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.1 135.89 47.92 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-O 120.945 0.402 . . . . 73.41 111.95 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.95 47.79 0.67 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.079 0.77 . . . . 73.3 113.079 -171.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -80.8 170.09 16.74 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 114.86 1.43 . . . . 73.21 114.86 -171.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -63.68 73.98 0.03 OUTLIER 'General case' 0 C--O 1.235 0.325 0 CA-C-N 113.609 -1.632 . . . . 75.32 112.468 -169.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.36 -14.91 5.58 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.27 -0.877 . . . . 72.31 112.856 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.527 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 33.0 mmm -62.39 -52.41 63.71 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.375 0.509 . . . . 74.51 112.375 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 60.3 p -60.48 -31.05 70.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.038 0.446 . . . . 71.51 111.632 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.44 ' HA ' HD12 ' A' ' 33' ' ' ILE . 15.0 m120 -75.13 -43.62 51.6 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.235 -0.439 . . . . 75.21 111.114 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.503 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -73.66 -34.75 65.08 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.154 -0.475 . . . . 71.53 111.86 -176.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.438 ' O ' HG13 ' B' ' 26' ' ' ILE . 12.6 mm -61.71 -54.32 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.206 0.447 . . . . 75.13 112.206 -176.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -74.12 -27.02 60.67 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.207 0.527 . . . . 64.11 110.254 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.452 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.43 -49.66 76.1 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.974 -0.557 . . . . 44.15 112.541 173.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 21' ' ' GLN . 86.4 t -63.52 -38.49 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 O-C-N 122.328 -0.513 . . . . 73.14 111.231 177.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.453 HG21 HD13 ' B' ' 49' ' ' LEU . 74.4 mt -56.86 -43.84 80.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 112.017 0.377 . . . . 62.45 112.017 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 83.4 p -62.74 -22.0 66.23 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.889 0.376 . . . . 65.34 111.578 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 57.4 mttm -81.09 -0.1 38.44 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 111.999 0.37 . . . . 74.13 111.999 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -73.62 164.4 26.71 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.481 0.658 . . . . 72.11 112.349 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.13 -31.2 68.62 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.424 -0.807 . . . . 71.23 111.165 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.0 t -88.28 168.07 13.02 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.335 -0.848 . . . . 73.02 112.322 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -102.91 128.27 49.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.175 -0.466 . . . . 72.03 111.743 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.433 ' HA ' HG22 ' B' ' 51' ' ' ILE . 62.0 mt -70.55 104.35 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.151 -0.477 . . . . 74.33 111.499 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 32.5 mmm-85 -82.7 -30.84 28.9 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.27 0.557 . . . . 54.21 110.459 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 77.8 m -155.03 147.01 23.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.914 -0.585 . . . . 72.32 110.597 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.634 HG22 ' HB3' ' A' ' 38' ' ' LEU . 18.8 tt -160.26 139.53 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 120.954 0.407 . . . . 72.01 111.314 174.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 95.8 t -137.08 105.28 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 116.533 -0.303 . . . . 75.13 111.34 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.628 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.8 tt -108.87 113.91 27.23 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.825 -0.435 . . . . 71.32 109.825 173.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -132.35 127.78 36.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.021 0.438 . . . . 72.34 111.251 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -94.91 108.07 20.11 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.173 0.511 . . . . 64.34 112.079 -178.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.718 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.1 OUTLIER -114.06 137.92 51.08 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.074 -0.512 . . . . 74.44 110.65 177.213 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 60.15 16.74 6.27 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.22 0.452 . . . . 65.13 112.22 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.74 11.19 64.12 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.576 -0.345 . . . . 73.34 113.478 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mt -129.46 142.18 44.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 122.331 -0.511 . . . . 74.5 110.193 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.557 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 38.4 p90 -108.16 143.28 37.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.924 0.392 . . . . 72.53 111.297 -177.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -119.05 99.26 6.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.333 0.587 . . . . 74.04 110.873 175.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 53.7 t -94.06 107.66 19.56 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.951 -0.568 . . . . 72.05 111.996 -178.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 97.4 m-20 -90.04 112.5 23.96 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.691 -0.231 . . . . 75.25 110.79 174.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.487 HD23 HD12 ' B' ' 8' ' ' ILE . 51.7 tp -98.5 132.08 44.22 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.693 0.282 . . . . 73.22 111.31 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.536 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.3 mmm -124.34 109.72 13.69 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.007 0.432 . . . . 55.34 111.312 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.433 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -141.78 161.01 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 116.101 -0.5 . . . . 73.41 111.792 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -93.81 137.89 32.56 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.242 0.544 . . . . 65.51 112.285 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.2 m -132.61 154.51 40.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.138 -0.483 . . . . 73.33 111.13 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.564 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 17.2 tppt? -75.36 -45.87 36.65 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.384 -0.371 . . . . 70.32 111.249 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.564 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 33.7 m-80 -134.76 165.2 25.83 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.011 0.434 . . . . 64.52 111.548 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 78.2 p -68.25 -26.45 65.68 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.329 -0.396 . . . . 72.03 111.803 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.04 -38.77 92.29 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.795 0.807 . . . . 72.22 110.422 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -59.52 -38.85 82.05 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.302 -0.863 . . . . 73.34 110.527 172.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.517 HD13 ' HB1' ' B' ' 6' ' ' ALA . 39.2 tp -67.86 -45.66 73.95 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.923 -0.581 . . . . 43.25 111.569 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 72.3 p -62.35 -37.04 84.13 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.881 0.372 . . . . 72.21 111.237 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 67.0 m -57.86 -41.88 83.35 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.314 -0.403 . . . . 70.32 111.188 175.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.0 mt -64.58 -42.38 95.67 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.702 -0.226 . . . . 74.23 111.527 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.453 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 47.6 mtt -52.66 -54.39 34.02 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.34 0.59 . . . . 73.33 110.308 175.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -53.74 -44.68 70.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.105 -0.952 . . . . 74.34 111.254 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 61' ' ' THR . 49.4 mtpt -59.09 -40.17 84.45 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.146 0.498 . . . . 75.32 111.707 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.557 HD13 HD11 ' B' ' 10' ' ' ILE . 51.8 mt -76.14 -26.98 56.83 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.168 0.509 . . . . 74.23 111.583 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' B' ' 63' ' ' MET . 92.3 mtt180 -74.87 -7.55 53.81 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.319 0.489 . . . . 73.5 112.319 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -72.48 -15.56 61.8 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 122.202 -0.311 . . . . 61.1 111.533 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 51.3 t -84.16 123.83 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 121.048 0.452 . . . . 64.34 111.632 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -59.88 -36.32 76.68 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.929 -0.578 . . . . 60.21 112.537 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.527 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -70.24 -17.53 74.17 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 121.098 -0.573 . . . . 70.21 114.208 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.425 HG23 ' HE1' ' B' ' 18' ' ' MET . 60.4 t -92.36 145.53 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 122.154 -0.615 . . . . 73.2 111.268 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.33 -8.99 5.24 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.406 0.521 . . . . 71.12 112.406 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.603 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.0 p -136.02 121.91 19.95 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.891 0.377 . . . . 72.24 111.497 174.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 49.2 t -139.64 103.81 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 110.096 -0.335 . . . . 73.44 110.096 173.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -136.85 164.83 27.38 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.574 -0.284 . . . . 51.35 110.354 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -87.42 152.32 22.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.877 0.846 . . . . 73.14 111.476 176.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' B' ' 9' ' ' ARG . 96.0 mt -94.63 82.03 3.92 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.977 -1.01 . . . . 70.22 109.62 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 32.4 t -56.43 -44.48 80.45 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.211 -0.449 . . . . 75.21 111.81 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -97.88 106.43 18.73 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.256 0.551 . . . . 60.54 110.671 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.501 HD11 ' O ' ' B' ' 5' ' ' LEU . 28.0 mt . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 113.64 0.978 . . . . 74.04 113.64 -172.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.9 p90 . . . . . 0 C--O 1.237 0.406 0 N-CA-C 109.809 -0.441 . . . . 51.43 109.809 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 tp -78.72 103.35 8.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.215 0.531 . . . . 74.53 110.96 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.449 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -93.93 153.4 18.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.696 -0.684 . . . . 62.01 111.557 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.503 ' HA3' ' HB2' ' A' ' 78' ' ' LEU . . . -132.05 147.15 18.62 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.139 -0.553 . . . . 75.42 112.964 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.609 HD12 HD23 ' A' ' 49' ' ' LEU . 49.6 mt -127.54 136.83 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-O 120.876 0.369 . . . . 73.53 110.735 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.501 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 20.4 tpt180 -110.22 120.22 41.74 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.484 -0.325 . . . . 71.32 111.216 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.846 HD11 HD13 ' A' ' 66' ' ' LEU . 63.5 mt -123.15 131.44 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 111.83 0.307 . . . . 65.22 111.83 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.5 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 25.3 t -132.85 119.44 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.568 0.699 . . . . 63.45 110.72 169.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.91 161.54 26.31 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.512 -0.767 . . . . 61.43 112.428 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.77 128.87 37.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.288 0.566 . . . . 74.34 111.868 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.95 107.33 4.63 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.917 -0.583 . . . . 64.2 111.749 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -133.64 164.92 26.12 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.718 0.77 . . . . 71.35 112.828 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -43.46 -35.02 1.47 Allowed 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.152 -1.386 . . . . 70.24 114.332 -174.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.79 -5.5 13.78 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 120.654 -0.784 . . . . 74.45 114.049 -176.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.464 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 63.2 mmm -72.13 -52.29 17.38 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.99 0.737 . . . . 75.34 112.99 -174.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.1 p -60.92 -32.58 72.07 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.96 0.409 . . . . 72.14 111.535 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.4 ' HA ' HD12 ' B' ' 33' ' ' ILE . 14.9 m120 -75.79 -45.77 34.34 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.001 0.429 . . . . 70.2 111.013 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.469 ' O ' HG23 ' A' ' 25' ' ' VAL . 9.4 pt20 -70.33 -35.6 73.72 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.502 -0.317 . . . . 54.03 111.847 -176.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.593 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 12.7 mm -60.71 -54.59 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 112.394 0.516 . . . . 73.35 112.394 -177.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -74.1 -27.65 60.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.094 0.473 . . . . 63.03 110.521 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -61.0 -52.13 54.2 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 121.114 -0.565 . . . . 70.53 112.523 174.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 21' ' ' GLN . 97.6 t -58.73 -40.27 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-O 120.816 0.341 . . . . 65.53 111.54 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.475 HG21 HD13 ' A' ' 49' ' ' LEU . 70.9 mt -55.71 -42.83 71.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.14 0.495 . . . . 72.4 111.73 175.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 m -60.27 -22.04 62.64 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.15 -0.477 . . . . 71.25 111.727 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 43.3 mtpt -85.87 -4.93 59.29 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.064 -0.517 . . . . 75.22 112.371 -172.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -67.61 171.72 5.96 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.691 0.758 . . . . 72.11 112.603 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.77 -33.84 60.2 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.408 -0.815 . . . . 73.42 110.762 178.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -82.9 160.78 22.05 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.562 -0.745 . . . . 71.51 112.574 -174.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -95.25 130.22 42.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.889 -0.596 . . . . 74.23 111.273 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.53 ' HA ' HG22 ' A' ' 51' ' ' ILE . 61.3 mt -67.49 111.15 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.573 -177.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.524 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -84.14 -36.53 22.83 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.22 0.533 . . . . 63.12 110.505 178.251 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 87.9 m -158.88 132.44 7.42 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.807 -0.633 . . . . 65.1 110.56 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.609 HG22 ' HB3' ' B' ' 38' ' ' LEU . 10.5 tp -134.17 138.18 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.028 0.442 . . . . 71.33 110.823 177.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 64.7 t -135.67 136.19 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.33 -0.395 . . . . 74.23 110.667 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.662 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.0 tt -144.62 123.45 12.66 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.734 -0.469 . . . . 64.33 109.734 173.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -139.09 138.67 37.29 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.887 0.375 . . . . 54.41 111.47 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -103.34 121.64 43.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.383 0.611 . . . . 31.51 111.297 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -136.27 143.18 44.1 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.507 -0.769 . . . . 74.25 110.54 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 60.77 10.14 2.54 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.044 0.757 . . . . 65.23 113.044 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.31 -9.81 39.07 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 121.426 -0.416 . . . . 60.31 113.524 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.6 mt -119.26 159.88 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 122.634 -0.333 . . . . 61.14 110.157 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.593 ' CZ ' HG13 ' A' ' 22' ' ' ILE . 21.3 p90 -119.01 149.76 41.1 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.964 -0.46 . . . . 74.33 110.791 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -124.0 119.75 30.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.09 0.471 . . . . 64.5 111.1 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 42.4 t -111.3 129.15 56.08 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.124 -0.489 . . . . 35.02 112.062 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.438 ' O ' HD12 ' A' ' 36' ' ' ILE . 90.1 m-20 -108.67 114.83 28.96 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.373 -0.376 . . . . 74.02 110.524 175.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 8' ' ' ILE . 38.6 tp -99.56 119.72 38.51 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.769 0.319 . . . . 60.4 111.858 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.513 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 68.1 mmm -115.78 111.99 21.33 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.896 0.379 . . . . 64.24 111.068 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.53 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -142.47 159.54 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.981 0.42 . . . . 71.43 111.827 -177.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -94.6 133.64 38.03 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.046 0.45 . . . . 73.41 111.916 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.1 m -133.13 154.15 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 116.45 -0.341 . . . . 65.12 110.558 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -86.14 -33.68 20.79 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.893 0.377 . . . . 72.22 111.285 178.26 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -132.61 145.82 51.4 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.51 -0.313 . . . . 72.25 110.947 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.7 p -63.14 -25.95 68.59 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.904 0.383 . . . . 54.11 111.643 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.81 -36.45 81.16 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.727 0.775 . . . . 53.02 110.242 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -62.22 -46.4 89.04 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.114 -0.948 . . . . 72.54 111.007 174.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.449 HD22 ' HB1' ' A' ' 6' ' ' ALA . 65.2 tp -62.87 -47.5 83.09 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.109 -0.496 . . . . 72.24 111.868 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.4 p -61.56 -30.17 70.49 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.761 0.315 . . . . 74.34 111.658 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.9 m -65.91 -43.87 86.88 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.314 -0.403 . . . . 71.44 111.63 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.79 -34.51 71.55 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.799 0.333 . . . . 64.42 111.481 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' A' ' 77' ' ' ARG . 62.2 mtt -54.93 -52.11 63.98 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.104 0.478 . . . . 74.15 110.997 175.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.46 -43.85 84.32 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.82 -0.627 . . . . 45.25 110.739 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -58.4 -47.22 84.6 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.109 -0.496 . . . . 63.41 111.899 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.846 HD13 HD11 ' A' ' 10' ' ' ILE . 81.4 mt -73.66 -26.54 60.8 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.178 0.513 . . . . 54.11 111.927 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -73.47 -8.38 55.65 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 116.379 -0.373 . . . . 74.53 111.925 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -79.09 -5.37 53.9 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 111.982 0.364 . . . . 74.0 111.982 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.509 HG11 HD11 ' A' ' 22' ' ' ILE . 89.1 t -76.4 134.7 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.693 0.759 . . . . 72.32 112.145 -175.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -49.11 -48.73 44.24 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.605 -1.18 . . . . 74.13 113.941 -176.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.89 4.61 63.27 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.775 -0.726 . . . . 41.53 114.794 -170.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.1 t -93.37 131.04 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-N 117.954 0.877 . . . . 62.32 111.562 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -120.81 -2.47 9.81 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.371 0.508 . . . . 74.14 112.371 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.5 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 29.9 p -138.83 122.12 17.05 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.746 0.308 . . . . 75.05 111.516 177.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.75 105.28 6.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 120.821 0.343 . . . . 74.41 110.355 174.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.501 ' HB2' ' HB3' ' A' ' 9' ' ' ARG . 40.7 mt-10 -122.92 177.7 5.38 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.284 0.564 . . . . 73.41 112.203 -174.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.465 ' HB2' ' CE ' ' A' ' 63' ' ' MET . 10.5 ttp180 -104.21 127.66 51.86 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.772 -0.649 . . . . 65.23 111.144 172.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.503 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . 95.9 mt -76.12 91.0 3.1 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.042 0.449 . . . . 75.11 110.189 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.7 t -78.47 -52.63 8.25 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.145 0.498 . . . . 71.41 111.045 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -86.93 101.71 13.66 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.311 0.577 . . . . 50.1 110.996 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 N--CA 1.47 0.535 0 CA-C-O 121.3 0.571 . . . . 71.44 112.279 -176.92 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 109.846 -0.427 . . . . 70.01 109.846 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -132.06 157.15 44.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.246 0.546 . . . . 64.43 111.308 -176.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.7 tp -80.73 103.46 10.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.635 . . . . 63.05 110.838 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.466 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -97.69 140.53 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.716 -0.675 . . . . 62.42 111.703 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.56 146.37 18.72 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 121.205 -0.521 . . . . 72.35 112.951 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 20.9 mt -136.08 125.84 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 122.653 -0.322 . . . . 65.11 110.603 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.49 ' HB2' HD21 ' B' ' 78' ' ' LEU . 33.0 ttp-105 -103.56 123.01 46.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.935 0.398 . . . . 74.23 111.144 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.599 HD11 HD13 ' B' ' 66' ' ' LEU . 41.7 mt -108.86 116.92 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.065 -0.516 . . . . 70.11 110.698 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.596 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 76.0 t -114.63 114.62 47.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-O 121.408 0.623 . . . . 31.41 111.049 177.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.2 166.76 25.95 Favored Glycine 0 CA--C 1.523 0.583 0 CA-C-N 115.769 -0.65 . . . . 64.43 112.97 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.458 ' HG3' ' HD3' ' B' ' 15' ' ' LYS . 7.8 pt-20 -60.93 117.97 6.12 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 121.226 0.536 . . . . 74.31 112.226 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.56 101.8 0.37 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.16 -0.473 . . . . 71.24 111.126 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.458 ' HD3' ' HG3' ' B' ' 13' ' ' GLU . 49.2 mtpt -138.53 168.65 19.31 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.911 1.078 . . . . 72.52 113.911 -173.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -51.69 -31.01 24.22 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.068 -1.424 . . . . 65.21 114.24 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.26 -16.6 5.16 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.657 -0.782 . . . . 42.42 113.845 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.559 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 61.6 mmm -65.07 -51.8 59.36 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.377 0.88 . . . . 70.32 113.377 -173.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 64.3 p -60.55 -31.9 70.99 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.8 0.333 . . . . 73.41 111.595 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -76.51 -48.17 20.35 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.168 0.509 . . . . 55.04 111.127 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.525 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.1 pt20 -66.33 -39.97 89.6 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.118 -0.492 . . . . 75.31 111.622 -176.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.446 HG13 ' HZ ' ' B' ' 45' ' ' PHE . 9.9 mm -60.19 -54.47 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 112.501 0.556 . . . . 74.45 112.501 -176.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 13.3 m -74.15 -26.95 60.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.171 0.51 . . . . 74.42 110.624 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.94 -43.59 97.96 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.991 -0.623 . . . . 52.23 112.202 171.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.583 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 77.2 t -60.91 -39.16 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 122.748 -0.266 . . . . 63.3 111.139 175.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.729 HD12 HD22 ' B' ' 49' ' ' LEU . 51.3 mm -52.36 -48.46 44.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-O 121.035 0.445 . . . . 73.14 111.792 176.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 60.7 p -62.87 -22.45 66.71 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.052 0.39 . . . . 75.14 112.052 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.583 ' HE3' ' HA ' ' B' ' 25' ' ' VAL . 10.0 mtmp? -78.7 -6.72 56.54 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.267 0.469 . . . . 71.2 112.267 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -67.63 162.48 23.48 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.741 0.782 . . . . 74.35 112.403 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -80.49 -21.89 41.51 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.325 -0.852 . . . . 55.42 111.671 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.4 t -86.24 155.99 20.47 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.162 0.506 . . . . 70.42 111.95 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.407 ' O ' HG22 ' B' ' 51' ' ' ILE . 26.9 t-20 -90.54 129.49 36.69 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.106 0.479 . . . . 75.35 111.619 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.445 ' HA ' HG22 ' B' ' 51' ' ' ILE . 65.5 mt -66.72 120.43 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 115.989 -0.55 . . . . 64.23 111.426 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -97.06 -39.02 9.53 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.315 0.579 . . . . 70.23 110.512 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 55.3 m -152.24 132.06 13.26 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.735 -0.666 . . . . 72.12 110.799 174.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.677 HD11 ' SG ' ' B' ' 47' ' ' CYS . 9.8 tp -133.81 132.92 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 120.859 0.361 . . . . 50.42 110.462 174.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 57.8 t -134.87 143.93 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.743 0.306 . . . . 72.51 110.656 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' A' ' 36' ' ' ILE . 7.9 tt -144.32 115.71 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.081 -0.387 . . . . 72.32 110.048 175.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -130.76 134.75 47.15 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.891 0.377 . . . . 74.15 110.959 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -99.78 112.6 24.84 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.425 0.631 . . . . 63.23 111.637 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -125.02 144.35 50.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.525 -0.762 . . . . 73.21 110.339 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 61.42 15.97 7.08 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.134 0.42 . . . . 72.2 112.134 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.95 5.92 67.64 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 121.407 -0.425 . . . . 54.24 113.23 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.8 mt -128.85 151.15 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 122.725 0.41 . . . . 64.42 110.227 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.54 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 37.4 p90 -113.15 143.62 44.05 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.857 -0.527 . . . . 65.1 111.539 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 1.8 t -118.28 106.3 12.64 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.01 -0.541 . . . . 72.44 111.197 176.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.677 ' SG ' HD11 ' B' ' 36' ' ' ILE . 42.2 t -91.33 114.27 26.75 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.105 -0.498 . . . . 63.23 111.076 177.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -100.8 109.92 21.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.697 0.399 . . . . 74.13 111.066 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.729 HD22 HD12 ' B' ' 26' ' ' ILE . 52.4 tp -98.41 130.87 45.04 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.957 0.408 . . . . 73.41 111.711 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.486 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.3 mmm -123.28 111.02 15.93 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.224 -0.443 . . . . 74.32 110.72 176.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.445 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.5 pp -143.24 162.1 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 116.337 -0.392 . . . . 75.13 111.677 -177.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -91.33 132.92 35.85 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.948 0.404 . . . . 74.15 111.661 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 19.9 m -122.04 144.22 32.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.144 -0.48 . . . . 72.21 111.023 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.461 ' HG3' HD22 ' B' ' 55' ' ' ASN . 17.4 ptmt -79.35 -14.17 59.15 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.41 0.522 . . . . 74.34 112.41 -178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.461 HD22 ' HG3' ' B' ' 54' ' ' LYS . 10.9 p30 -163.77 172.1 14.6 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.823 0.344 . . . . 71.45 111.392 174.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -72.03 -33.85 68.34 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.86 0.689 . . . . 63.21 112.86 -176.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.54 -35.43 80.21 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.535 0.683 . . . . 71.31 110.298 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -57.8 -43.71 85.85 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.349 -0.842 . . . . 72.11 110.757 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.466 HD13 ' HB1' ' B' ' 6' ' ' ALA . 33.9 tp -63.5 -46.6 85.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.85 -0.613 . . . . 70.21 111.666 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 34.3 p -65.56 -29.95 70.63 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 111.99 0.367 . . . . 72.43 111.99 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 50.5 m -62.82 -41.22 99.22 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.808 0.337 . . . . 63.3 111.788 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.07 -35.21 76.36 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.774 0.287 . . . . 61.35 111.774 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.563 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 66.0 mtt -53.84 -53.93 45.61 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.477 -0.329 . . . . 64.23 110.986 177.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -52.98 -46.17 68.17 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.073 -0.512 . . . . 72.23 111.453 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -58.48 -35.34 72.05 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.831 -0.622 . . . . 72.34 111.168 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.599 HD13 HD11 ' B' ' 10' ' ' ILE . 70.1 mt -80.64 -29.1 36.76 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.067 0.46 . . . . 70.44 111.639 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' B' ' 63' ' ' MET . 47.3 mtp180 -73.47 -6.63 47.64 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.442 -0.344 . . . . 74.4 111.586 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.33 -15.07 62.83 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.972 0.36 . . . . 61.44 111.972 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.0 113.38 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 120.784 0.326 . . . . 73.33 111.501 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -57.96 -28.7 64.59 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.34 0.496 . . . . 63.55 112.34 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.559 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -64.48 -20.23 65.45 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 120.976 -0.63 . . . . 72.43 113.344 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.9 t -93.49 141.71 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 O-C-N 122.47 -0.429 . . . . 73.21 110.945 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.84 -23.71 6.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.469 -0.332 . . . . 75.3 111.836 176.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.596 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.0 OUTLIER -123.52 127.26 48.1 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.234 0.54 . . . . 73.11 111.578 176.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.457 HG21 ' HG2' ' B' ' 67' ' ' ARG . 51.9 t -132.69 104.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.164 -0.68 . . . . 63.44 109.164 171.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -128.77 154.54 46.28 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.141 0.496 . . . . 64.14 112.163 -170.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -83.99 133.5 34.68 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.092 -0.504 . . . . 72.24 112.137 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' B' ' 9' ' ' ARG . 87.5 mt -89.7 94.43 9.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.221 0.534 . . . . 74.33 110.004 170.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 60.1 p -79.4 -59.97 2.55 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.96 -0.564 . . . . 40.22 111.358 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -74.63 105.13 5.58 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.938 -0.574 . . . . 65.22 111.187 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.4 mt . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 121.101 0.477 . . . . 63.34 111.481 -178.731 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.9 p90 . . . . . 0 N--CA 1.465 0.296 0 N-CA-C 109.815 -0.439 . . . . 64.32 109.815 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.4 tp -77.73 103.98 7.99 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.199 0.523 . . . . 71.32 111.299 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.489 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -97.86 134.45 40.99 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.016 -0.538 . . . . 61.12 111.671 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.83 141.35 15.88 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.046 -0.597 . . . . 72.55 113.387 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 40.6 mt -128.88 136.85 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 122.622 0.369 . . . . 63.32 110.367 177.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.464 ' NH2' HD21 ' A' ' 48' ' ' ASN . 18.5 ttm180 -118.15 125.0 49.36 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.1 0.476 . . . . 72.21 111.489 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.662 HD11 HD13 ' A' ' 66' ' ' LEU . 25.9 mt -112.87 116.83 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 115.668 -0.696 . . . . 72.52 110.674 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.557 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 95.2 t -115.79 113.59 43.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.547 0.689 . . . . 63.1 110.948 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.19 175.25 21.27 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.468 -0.787 . . . . 75.44 112.639 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.64 133.37 40.87 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.409 0.623 . . . . 70.23 112.124 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -70.92 86.45 0.71 Allowed 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.294 0.568 . . . . 75.2 111.953 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' HB2' ' CG ' ' A' ' 18' ' ' MET . 43.0 mttp -102.09 158.54 16.09 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.508 0.67 . . . . 63.44 112.511 168.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -49.85 -31.32 11.67 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.657 -1.156 . . . . 71.43 113.599 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.67 0.2 17.94 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 120.601 -0.809 . . . . 35.13 114.399 -178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.449 ' CG ' ' HB2' ' A' ' 15' ' ' LYS . 53.5 mmm -74.29 -51.8 14.17 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 117.516 0.658 . . . . 63.01 112.53 -176.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -60.47 -31.26 70.28 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.266 0.555 . . . . 52.5 111.323 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.511 ' ND2' HG13 ' B' ' 33' ' ' ILE . 12.5 m120 -75.16 -48.3 24.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.652 -0.704 . . . . 74.34 110.948 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.1 pt20 -66.34 -37.42 85.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.174 -0.466 . . . . 71.45 111.474 -177.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 22' ' ' ILE . 12.1 mm -62.68 -54.89 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 112.234 0.457 . . . . 61.22 112.234 -177.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 m -72.97 -26.59 61.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.275 0.56 . . . . 71.2 110.193 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.532 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.03 -51.71 57.67 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 121.029 -0.605 . . . . 54.33 112.369 171.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 21' ' ' GLN . 87.4 t -59.66 -40.14 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-O 120.843 0.354 . . . . 74.33 111.174 175.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mt -54.0 -48.73 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 116.165 -0.471 . . . . 74.35 111.798 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.4 p -64.86 -22.02 66.91 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.607 0.241 . . . . 53.11 111.603 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 67.5 mttm -75.05 -5.59 44.89 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.16 0.43 . . . . 72.14 112.16 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -69.37 168.38 14.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.619 0.723 . . . . 73.25 112.338 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.34 -24.71 31.97 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.276 -0.875 . . . . 62.45 111.854 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 t -86.34 159.05 19.51 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.64 0.607 . . . . 72.24 112.64 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -91.06 124.2 35.11 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.924 -0.58 . . . . 62.4 111.804 -174.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.481 ' HA ' HG22 ' A' ' 51' ' ' ILE . 61.5 mt -76.43 110.67 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 116.455 -0.339 . . . . 61.24 111.747 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 21.8 mmt85 -94.14 -20.51 19.82 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 122.063 -0.398 . . . . 75.13 111.711 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.469 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 6.8 m -158.43 142.85 15.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.353 -0.385 . . . . 63.43 110.725 174.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.653 HG22 ' HB3' ' B' ' 38' ' ' LEU . 0.0 OUTLIER -147.5 133.3 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.171 -0.307 . . . . 73.24 110.171 172.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.466 HG12 ' OD1' ' A' ' 39' ' ' ASN . 96.6 t -134.23 103.44 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-O 121.032 0.444 . . . . 72.41 111.726 178.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.538 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.3 tt -109.3 113.73 26.81 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 109.912 -0.403 . . . . 73.5 109.912 174.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.466 ' OD1' HG12 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -130.92 112.98 13.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.359 0.599 . . . . 74.44 111.637 178.788 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -85.64 136.08 33.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.645 0.736 . . . . 43.32 112.02 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.707 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -119.64 -145.98 0.38 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.244 -0.889 . . . . 70.42 109.874 177.639 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.496 ' O ' HG13 ' A' ' 44' ' ' ILE . 3.9 m-20 -51.7 86.62 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 112.75 0.648 . . . . 53.22 112.75 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.7 5.64 32.04 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 114.775 0.67 . . . . 62.21 114.775 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 42' ' ' ASP . 3.4 mt -132.52 162.16 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 117.574 0.687 . . . . 72.22 110.804 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.62 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 35.3 p90 -133.07 150.75 52.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.713 0.292 . . . . 73.43 111.172 174.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.548 HG22 ' HE3' ' A' ' 41' ' ' LYS . 1.8 t -127.34 111.71 14.2 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.36 -0.382 . . . . 64.04 111.052 174.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.446 ' SG ' HD11 ' A' ' 36' ' ' ILE . 46.7 t -104.56 116.26 31.77 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.294 -0.412 . . . . 64.12 111.546 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.512 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 75.1 m-20 -97.57 114.07 25.91 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.36 0.264 . . . . 63.22 111.039 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.401 HD23 HD12 ' A' ' 8' ' ' ILE . 39.8 tp -98.12 123.25 42.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.842 0.353 . . . . 64.11 111.191 177.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.469 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 67.2 mmm -117.46 108.22 15.26 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.104 0.478 . . . . 73.31 111.264 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.481 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -139.99 161.4 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.935 -0.575 . . . . 72.22 111.592 -176.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -92.93 139.47 30.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.974 0.416 . . . . 61.04 111.487 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.7 m -132.75 141.8 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.01 0.433 . . . . 73.42 111.47 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -79.19 -15.5 57.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.331 -0.395 . . . . 74.01 112.06 177.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -160.05 153.22 21.89 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.818 0.342 . . . . 70.42 111.553 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -63.93 -27.89 69.45 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.366 -0.379 . . . . 73.21 112.006 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.07 -41.53 78.93 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.213 0.53 . . . . 61.44 110.655 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -57.43 -51.91 67.52 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.918 -0.583 . . . . 71.42 111.143 174.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.489 HD13 ' HB1' ' A' ' 6' ' ' ALA . 58.4 tp -59.12 -48.11 82.8 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.13 -0.486 . . . . 72.05 112.037 -177.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.4 p -63.72 -35.39 80.39 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.825 0.345 . . . . 74.51 111.448 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.2 m -64.88 -45.45 85.92 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.745 0.307 . . . . 74.43 110.948 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.5 mt -58.29 -49.14 78.2 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.602 -0.272 . . . . 71.21 111.416 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 57.6 mtm -61.49 -36.24 79.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 120.985 -0.286 . . . . 72.41 111.424 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.5 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 24.5 t70 -63.8 -45.77 88.16 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.907 -0.317 . . . . 71.41 110.5 174.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -51.38 -39.05 56.36 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.363 0.601 . . . . 64.32 110.955 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.662 HD13 HD11 ' A' ' 10' ' ' ILE . 38.0 mt -76.71 -28.93 56.02 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.808 -0.633 . . . . 70.04 111.403 177.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 67' ' ' ARG . 3.8 mmp_? -67.79 -18.92 65.01 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.382 -0.372 . . . . 72.02 111.767 176.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.5 ' HE3' ' O ' ' A' ' 64' ' ' ASP . 7.7 mmpt? -71.17 -15.87 62.5 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 111.875 0.324 . . . . 72.35 111.875 -176.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.437 HG12 ' H ' ' A' ' 71' ' ' GLY . 60.7 t -78.04 122.06 32.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 121.034 0.445 . . . . 74.24 111.932 -175.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -61.43 -28.23 69.11 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.717 -0.674 . . . . 51.21 112.441 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.437 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -81.6 -11.32 83.2 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 121.248 -0.501 . . . . 73.54 114.095 -177.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.5 t -97.36 147.0 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 117.471 0.636 . . . . 73.02 111.327 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.35 -34.6 4.26 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 111.949 0.352 . . . . 74.23 111.949 175.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.557 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.4 p -116.39 130.9 57.01 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.141 0.496 . . . . 73.35 111.792 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.1 t -138.13 104.3 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 109.383 -0.599 . . . . 73.4 109.383 171.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -124.12 153.39 41.54 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.29 -0.414 . . . . 74.43 111.812 -171.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.458 ' HD2' HD21 ' A' ' 59' ' ' LEU . 30.4 ttt85 -82.77 126.99 33.02 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.952 0.406 . . . . 71.41 110.858 172.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.9 mt -76.85 96.59 4.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.994 0.426 . . . . 73.42 109.926 172.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.9 p -73.61 -57.31 4.08 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.08 0.467 . . . . 55.32 111.372 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -84.99 107.39 17.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.41 -0.359 . . . . 61.25 110.043 175.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 121.627 0.727 . . . . 74.4 112.77 -173.365 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.492 ' HA ' ' HA ' ' B' ' 54' ' ' LYS . 4.8 p-10 . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.148 0.499 . . . . 53.23 112.058 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.89 153.89 33.95 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.135 -0.484 . . . . 63.42 110.767 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 tp -78.8 103.21 8.6 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.041 0.448 . . . . 74.1 111.085 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.402 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -94.1 149.01 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.027 -0.533 . . . . 54.53 111.547 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . 0.444 ' HA3' ' HB2' ' B' ' 78' ' ' LEU . . . -122.13 145.54 16.66 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.831 -0.7 . . . . 63.35 113.306 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.495 HD12 HD23 ' B' ' 49' ' ' LEU . 49.5 mt -132.86 149.71 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 122.72 0.408 . . . . 75.03 110.46 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -130.65 124.86 32.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.944 0.402 . . . . 73.25 111.171 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.562 ' HB ' ' HB3' ' B' ' 47' ' ' CYS . 35.3 mt -116.37 117.31 55.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.042 -0.526 . . . . 65.42 110.822 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.653 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 54.3 t -116.62 114.29 45.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-O 121.698 0.761 . . . . 73.12 111.29 176.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.45 170.89 24.23 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.324 -0.853 . . . . 70.02 112.234 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -68.48 134.67 50.47 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.111 0.481 . . . . 65.32 112.099 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -78.61 81.82 4.9 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.449 0.642 . . . . 61.21 111.433 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -94.43 166.71 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.649 0.738 . . . . 75.52 112.649 170.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -75.58 55.89 0.86 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.56 -1.2 . . . . 72.35 111.123 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.26 -27.48 0.25 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.945 -0.57 . . . . 74.2 112.939 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.46 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 38.6 mmm -56.84 -51.01 70.69 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.251 0.463 . . . . 71.34 112.251 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.7 p -58.3 -33.8 69.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.966 0.413 . . . . 64.22 111.831 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -72.47 -47.76 46.21 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.173 0.511 . . . . 54.51 110.659 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.46 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 8.7 pt20 -66.34 -36.7 83.58 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.984 -0.553 . . . . 72.0 111.441 -177.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.48 HD11 HG11 ' B' ' 69' ' ' VAL . 13.8 mm -62.01 -54.45 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 112.22 0.452 . . . . 70.21 112.22 -177.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -71.79 -27.24 62.81 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.228 0.537 . . . . 65.13 110.259 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.505 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.77 -47.58 90.24 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 115.869 -0.605 . . . . 73.21 112.437 173.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 21' ' ' GLN . 92.6 t -65.81 -38.81 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 122.611 -0.346 . . . . 74.43 111.111 175.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.431 HG13 ' O ' ' B' ' 22' ' ' ILE . 72.8 mt -58.11 -41.91 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 120.858 0.361 . . . . 71.24 111.717 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 84.0 p -65.03 -21.58 66.86 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 122.13 -0.356 . . . . 62.23 111.4 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 29.2 mtpp -80.58 -0.91 39.87 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.038 0.384 . . . . 72.54 112.038 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -70.22 163.71 25.85 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.515 0.674 . . . . 74.14 112.078 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -19.05 50.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.734 -0.666 . . . . 74.11 111.328 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.8 t -97.4 157.08 16.17 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.887 0.699 . . . . 63.44 112.887 -170.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -84.55 126.26 33.15 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.734 -0.666 . . . . 75.22 111.287 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.517 ' HA ' HG22 ' B' ' 51' ' ' ILE . 73.3 mt -75.83 99.4 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 120.925 0.393 . . . . 72.33 111.595 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -76.89 -27.35 54.95 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.272 0.558 . . . . 73.01 110.696 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.585 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 6.7 m -159.55 148.49 17.94 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.034 -0.53 . . . . 65.13 110.514 176.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.538 HG22 ' HB3' ' A' ' 38' ' ' LEU . 17.5 tt -157.63 138.35 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.45 0.643 . . . . 73.23 111.628 171.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.543 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 92.8 t -130.37 146.96 33.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.563 -0.744 . . . . 70.33 110.022 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.653 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.6 tt -143.04 110.94 5.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.045 -0.354 . . . . 63.22 110.045 172.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' B' ' 45' ' ' PHE . 55.6 m-20 -113.53 107.91 16.45 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.474 -0.33 . . . . 65.41 111.485 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -90.74 103.69 16.36 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.274 0.559 . . . . 73.33 110.694 175.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' B' ' 43' ' ' GLY . 64.0 pttt -124.54 141.83 51.8 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.993 -0.549 . . . . 71.43 110.507 -178.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' B' ' 41' ' ' LYS . 18.6 t70 71.05 -32.8 0.25 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.573 0.583 . . . . 72.53 112.573 178.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' B' ' 41' ' ' LYS . . . 140.84 0.81 1.68 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.711 -0.556 . . . . 45.12 111.711 -171.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.06 153.13 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 122.77 0.428 . . . . 73.24 110.158 175.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.3 p90 -118.48 141.11 48.88 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.897 0.38 . . . . 73.12 111.367 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -113.49 99.89 8.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.992 0.425 . . . . 64.34 110.875 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.562 ' HB3' ' HB ' ' B' ' 10' ' ' ILE . 43.4 t -87.29 108.79 19.11 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.131 0.491 . . . . 72.53 111.803 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.543 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 15.2 m120 -93.15 105.34 17.44 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.217 -0.447 . . . . 73.3 111.3 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.495 HD23 HD12 ' B' ' 8' ' ' ILE . 63.7 tp -98.29 139.69 33.7 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.864 0.364 . . . . 74.14 111.37 -178.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.585 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.4 mmm -131.61 112.84 12.95 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.852 0.358 . . . . 75.15 110.857 176.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.517 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -139.43 159.07 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.982 0.42 . . . . 63.23 111.822 -176.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -93.23 132.71 37.15 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.022 0.439 . . . . 74.11 112.161 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 m -135.81 159.16 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 116.311 -0.404 . . . . 73.44 110.499 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.492 ' HA ' ' HA ' ' B' ' 3' ' ' ASP . 38.0 mtmm -97.64 -18.87 18.65 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.931 0.396 . . . . 74.23 111.983 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -136.95 142.27 42.64 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.946 0.403 . . . . 73.34 111.45 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -61.04 -29.89 69.99 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.862 0.363 . . . . 73.32 111.585 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.97 -38.67 91.72 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.579 0.704 . . . . 54.52 110.473 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -58.02 -40.85 81.82 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.447 -0.797 . . . . 61.42 110.959 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.402 HD13 ' HB1' ' B' ' 6' ' ' ALA . 57.3 tp -65.11 -47.62 76.51 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.039 -0.528 . . . . 73.42 111.587 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.3 p -64.62 -32.48 74.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.916 0.389 . . . . 65.21 111.235 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 56.1 m -58.43 -41.38 84.93 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.972 0.415 . . . . 73.55 111.326 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.11 -38.12 89.91 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.433 -0.349 . . . . 74.1 110.971 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.443 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 59.4 mtt -55.97 -53.68 53.91 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.53 -0.305 . . . . 74.25 110.678 176.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -53.61 -42.2 67.45 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.266 -0.424 . . . . 71.13 111.195 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -58.94 -45.24 90.91 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.209 0.528 . . . . 71.22 111.337 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.434 HD13 HD11 ' B' ' 10' ' ' ILE . 51.0 mt -72.71 -26.73 61.7 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.098 -0.501 . . . . 74.43 111.575 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' B' ' 63' ' ' MET . 92.7 mtt180 -74.28 -8.35 55.92 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.672 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -77.71 -15.15 59.35 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.785 0.326 . . . . 73.12 111.672 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.48 HG11 HD11 ' B' ' 22' ' ' ILE . 45.1 t -76.03 118.89 23.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.379 0.609 . . . . 64.01 111.47 -177.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 pm0 -51.28 -33.13 27.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.971 -1.013 . . . . 75.44 113.359 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.415 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -93.72 -1.27 65.92 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 120.92 -0.657 . . . . 64.4 114.596 -174.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -104.88 129.9 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-N 117.811 0.806 . . . . 71.24 111.83 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -111.04 -17.37 13.28 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.495 0.554 . . . . 74.55 112.495 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.653 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.1 p -129.06 127.93 42.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.168 0.509 . . . . 70.13 111.893 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.0 t -135.95 104.75 4.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 116.051 -0.522 . . . . 63.34 109.841 172.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -123.73 170.99 9.96 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.283 -0.417 . . . . 50.13 111.875 -171.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -95.79 142.5 28.0 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.163 0.506 . . . . 70.12 111.259 172.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.444 ' HB2' ' HA3' ' B' ' 7' ' ' GLY . 97.5 mt -87.68 109.59 19.8 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.13 0.49 . . . . 71.22 110.285 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 79.6 p -89.51 -43.25 10.95 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.594 0.59 . . . . 75.31 112.594 -173.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -95.85 100.1 11.84 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 120.961 0.41 . . . . 60.54 110.886 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 mt . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 121.371 0.605 . . . . 72.35 112.582 -174.926 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.4 p90 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.821 0.343 . . . . 73.15 110.16 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.6 tp -83.01 107.29 15.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.255 0.55 . . . . 75.2 111.361 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -100.32 156.29 17.32 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.811 -0.631 . . . . 71.11 111.709 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.09 147.43 17.71 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 121.128 -0.558 . . . . 40.51 113.594 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.412 HG23 ' HG2' ' A' ' 63' ' ' MET . 41.3 mt -135.76 151.01 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.097 0.559 . . . . 55.33 110.397 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.474 ' HB2' HD21 ' A' ' 78' ' ' LEU . 68.4 ttt180 -131.01 137.56 49.26 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 122.066 -0.396 . . . . 71.3 111.167 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.724 HD11 HD13 ' A' ' 66' ' ' LEU . 46.5 mt -127.9 118.6 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 116.297 -0.41 . . . . 71.15 111.722 -174.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.647 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.3 t -117.07 115.41 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.55 0.69 . . . . 73.55 110.8 172.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.69 168.68 25.83 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.681 -0.69 . . . . 62.03 112.792 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.55 132.09 46.35 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.392 0.615 . . . . 73.0 112.194 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.18 89.71 4.88 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.269 0.557 . . . . 75.44 111.664 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 35.6 mttp -100.83 173.5 6.47 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.797 1.036 . . . . 52.42 113.797 175.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -52.21 -13.5 0.34 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.984 -1.462 . . . . 74.14 114.499 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.46 2.37 0.93 Allowed Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.553 -0.832 . . . . 72.1 114.303 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.507 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 71.5 mmm -64.63 -51.42 62.73 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 117.685 0.742 . . . . 64.11 112.916 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.9 p -60.74 -32.23 71.52 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 122.024 -0.422 . . . . 75.45 111.772 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -74.83 -45.75 41.22 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.987 0.422 . . . . 75.33 110.837 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.507 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.2 pt20 -70.61 -33.19 70.77 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.209 -0.45 . . . . 75.43 111.77 -177.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.528 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 11.7 mm -63.91 -54.66 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 112.111 0.412 . . . . 53.22 112.111 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 m -72.29 -26.8 62.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.269 0.557 . . . . 71.34 110.062 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.599 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.66 -52.3 53.86 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.797 -0.638 . . . . 55.22 112.373 172.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 21' ' ' GLN . 69.9 t -60.32 -38.0 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 122.366 -0.491 . . . . 60.2 111.086 176.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 22' ' ' ILE . 69.2 mt -58.39 -45.09 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 116.2 -0.455 . . . . 65.12 111.774 175.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.446 ' HA ' HD11 ' A' ' 33' ' ' ILE . 96.9 p -67.99 -22.26 65.01 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.834 0.35 . . . . 64.44 111.137 178.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 95.5 mttt -75.55 -6.72 51.66 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.581 -0.281 . . . . 74.3 111.62 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' HE1' ' HZ2' ' A' ' 65' ' ' LYS . 18.3 m-30 -69.03 147.51 51.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.359 0.599 . . . . 71.52 112.18 178.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -63.64 -23.02 67.21 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.525 -0.761 . . . . 63.1 112.336 177.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.8 t -86.97 169.47 12.42 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.322 0.582 . . . . 73.52 112.293 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.445 ' O ' HG22 ' A' ' 51' ' ' ILE . 16.5 m120 -94.63 122.13 36.91 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.18 -0.464 . . . . 75.34 112.241 -177.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.446 HD11 ' HA ' ' A' ' 27' ' ' SER . 57.8 mt -65.33 94.75 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-O 120.96 0.41 . . . . 63.24 110.68 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -80.24 -32.25 38.42 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.792 0.329 . . . . 72.52 110.765 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 63.7 m -155.85 135.91 12.88 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.202 -0.454 . . . . 75.01 110.732 174.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' B' ' 37' ' ' VAL . 10.8 tp -136.01 144.35 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.673 0.273 . . . . 71.14 111.21 177.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 99.3 t -135.06 139.3 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.361 -0.381 . . . . 74.53 110.275 174.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.652 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.3 tt -145.08 127.65 16.09 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.583 -0.525 . . . . 73.54 109.583 171.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.467 ' OD1' HG23 ' A' ' 46' ' ' THR . 1.9 p-10 -144.86 119.34 9.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.209 0.528 . . . . 72.45 111.688 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -104.94 120.69 42.06 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.772 -0.649 . . . . 65.43 112.097 -177.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -129.85 142.21 50.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.403 -0.362 . . . . 72.45 111.416 177.521 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.4 t70 70.78 -28.43 0.18 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 113.314 0.857 . . . . 54.01 113.314 174.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.68 -2.96 1.29 Allowed Glycine 0 CA--C 1.524 0.613 0 C-N-CA 121.417 -0.42 . . . . 61.03 112.238 -175.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mt -124.9 154.5 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.693 0.282 . . . . 72.41 110.303 176.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.545 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 45.0 p90 -122.63 154.24 38.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 73.14 111.351 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.467 HG23 ' OD1' ' A' ' 39' ' ' ASN . 1.5 t -124.75 103.44 8.09 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.118 0.485 . . . . 73.14 111.352 172.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 45.1 t -97.23 117.67 31.97 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.424 -0.353 . . . . 61.44 111.609 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.504 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 3.1 m-20 -103.11 115.49 30.68 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.397 0.279 . . . . 63.22 110.935 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.1 tp -101.46 136.44 41.29 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.315 0.487 . . . . 62.52 112.315 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.588 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 72.5 mmm -127.31 112.85 15.53 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.765 175.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 32' ' ' ASN . 2.3 pp -141.86 165.72 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 116.355 -0.384 . . . . 54.01 111.72 -175.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -97.0 133.79 41.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.966 0.412 . . . . 55.43 111.953 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 m -132.38 153.32 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.948 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -91.17 -3.06 57.36 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.39 0.515 . . . . 71.45 112.39 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -169.28 148.02 3.83 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 120.769 0.319 . . . . 75.43 111.739 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.2 p -60.59 -26.23 66.82 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.309 0.485 . . . . 73.32 112.309 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.95 -44.31 96.41 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.349 0.595 . . . . 73.11 110.017 177.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -57.16 -41.22 78.79 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.459 -0.791 . . . . 64.52 110.843 174.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.476 HD13 ' HB1' ' A' ' 6' ' ' ALA . 45.7 tp -61.49 -47.41 85.78 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.098 -0.501 . . . . 72.5 111.501 177.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.3 p -64.9 -31.66 73.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.852 0.358 . . . . 54.31 111.183 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.441 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 95.0 m -62.16 -45.26 94.22 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.881 0.372 . . . . 60.1 111.242 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.9 -48.43 80.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.599 -0.273 . . . . 62.34 111.374 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.487 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 69.1 mtm -56.23 -39.03 71.87 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.849 0.357 . . . . 74.45 110.957 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 13.2 t70 -62.32 -46.32 89.26 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.521 -0.308 . . . . 53.44 110.722 175.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB3' ' HZ2' ' A' ' 65' ' ' LYS . 9.0 mtpm? -55.99 -38.71 70.81 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.067 0.461 . . . . 74.13 111.413 176.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.724 HD13 HD11 ' A' ' 10' ' ' ILE . 60.9 mt -73.07 -32.37 64.98 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.029 -0.532 . . . . 74.53 111.34 178.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 63' ' ' MET . 91.9 mtt180 -71.87 -8.85 56.82 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.833 0.349 . . . . 74.43 111.909 177.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.512 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -79.67 -8.54 59.28 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 111.769 0.285 . . . . 75.02 111.769 177.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.9 t -78.65 131.34 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.162 0.506 . . . . 65.51 111.494 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 71' ' ' GLY . 19.0 pt20 -48.22 -48.78 34.85 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.692 0.997 . . . . 62.43 113.692 -174.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.464 ' N ' ' HG3' ' A' ' 70' ' ' GLN . . . -92.78 0.62 70.27 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 115.064 0.785 . . . . 63.32 115.064 -170.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.9 t -94.68 126.26 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 118.155 0.978 . . . . 72.34 111.747 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.11 -24.44 11.95 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.171 -0.468 . . . . 75.24 112.188 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.647 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.3 p -125.25 128.72 48.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.302 0.572 . . . . 62.32 112.091 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 37.7 t -141.33 105.19 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.762 -0.654 . . . . 44.24 109.339 172.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -118.1 164.07 15.68 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.271 0.558 . . . . 55.11 112.392 -173.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.426 ' NH1' ' OG ' ' A' ' 79' ' ' SER . 64.0 ttp85 -86.53 146.5 26.35 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.844 -0.616 . . . . 73.44 111.093 175.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.474 HD21 ' HB2' ' A' ' 9' ' ' ARG . 98.0 mt -104.35 123.25 47.06 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.902 0.382 . . . . 72.21 110.882 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.426 ' OG ' ' NH1' ' A' ' 77' ' ' ARG . 71.2 m -101.33 -45.9 5.19 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.19 0.519 . . . . 62.43 111.33 -178.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -83.13 104.64 13.47 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.108 -0.496 . . . . 63.14 111.003 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 CA--C 1.539 0.544 0 CA-C-O 120.997 0.427 . . . . 71.22 112.146 -175.857 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.43 ' HA ' ' HA ' ' B' ' 54' ' ' LYS . 6.6 p-10 . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 121.191 0.519 . . . . 61.23 112.357 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -113.12 157.68 21.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.101 -0.5 . . . . 74.15 110.112 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 58.9 tp -80.05 108.53 13.72 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.102 0.477 . . . . 74.12 111.461 -178.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.411 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -108.48 156.03 19.93 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.984 -0.553 . . . . 62.14 112.069 -177.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.98 145.72 15.86 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 121.193 -0.527 . . . . 63.3 113.424 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 54.3 mt -132.48 141.16 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 122.883 0.473 . . . . 74.31 110.922 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.529 ' HB2' HD21 ' B' ' 78' ' ' LEU . 77.2 ttt180 -119.3 127.63 53.38 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 122.002 -0.436 . . . . 71.43 111.279 175.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 46' ' ' THR . 22.0 mt -117.45 118.54 58.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-N 116.075 -0.511 . . . . 71.42 111.089 -178.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.6 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 89.3 t -118.34 118.73 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.47 0.652 . . . . 65.3 111.208 174.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.09 164.87 25.79 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.575 -0.739 . . . . 72.42 112.346 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.406 ' HG3' ' HG2' ' B' ' 15' ' ' LYS . 24.7 pt-20 -69.28 135.81 51.0 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.145 0.498 . . . . 72.13 111.844 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.83 87.94 0.54 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.383 0.611 . . . . 64.21 111.409 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.44 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 32.5 mmmt -88.57 -178.3 5.79 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 122.123 0.963 . . . . 61.32 112.663 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -45.17 -36.7 3.95 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 113.805 -1.543 . . . . 70.35 113.306 175.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.75 24.22 0.49 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 120.829 -0.7 . . . . 74.25 114.125 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.53 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 30.4 mmm -61.2 -50.04 74.74 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.574 0.583 . . . . 71.44 112.574 -179.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 68.1 p -55.01 -33.78 62.9 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.189 0.519 . . . . 73.41 111.525 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -76.02 -48.56 20.5 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.938 -0.573 . . . . 74.03 111.03 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.53 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -67.55 -37.86 83.31 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.319 -0.4 . . . . 60.04 111.561 -177.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' B' ' 22' ' ' ILE . 11.8 mm -57.79 -54.0 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 112.194 0.442 . . . . 62.12 112.194 -177.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m -73.37 -27.08 61.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.365 0.602 . . . . 61.01 110.491 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -38.98 96.65 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-N 115.947 -0.57 . . . . 64.31 112.765 172.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 21' ' ' GLN . 94.8 t -71.96 -35.44 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 O-C-N 122.433 -0.451 . . . . 63.53 111.029 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.436 HG21 HD13 ' B' ' 49' ' ' LEU . 66.4 mt -56.68 -41.33 74.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 120.947 0.403 . . . . 61.25 111.967 176.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.4 p -62.37 -20.86 64.85 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 120.782 0.325 . . . . 54.35 111.528 177.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -90.97 16.82 8.8 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 111.979 0.362 . . . . 72.44 111.979 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . 0.401 ' CE1' ' HE3' ' B' ' 65' ' ' LYS . 12.1 m-30 -84.0 166.9 17.38 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.059 0.933 . . . . 74.51 113.217 -178.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.66 13.61 5.51 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 114.574 -1.194 . . . . 63.04 111.555 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.4 t -134.15 163.71 28.99 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.84 -0.537 . . . . 63.03 111.915 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.402 ' O ' HG22 ' B' ' 51' ' ' ILE . 24.3 m120 -97.0 134.18 40.7 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.012 0.434 . . . . 71.52 111.864 -177.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.459 ' HA ' HG22 ' B' ' 51' ' ' ILE . 62.9 mt -72.43 120.68 21.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 116.155 -0.475 . . . . 65.42 111.951 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.443 ' HD3' ' HA ' ' B' ' 34' ' ' ARG . 20.6 mmt180 -98.79 -33.15 11.02 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.914 0.388 . . . . 75.24 111.174 173.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 30.3 m -153.92 132.09 11.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.181 -0.463 . . . . 64.24 111.033 174.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.671 HD11 ' SG ' ' B' ' 47' ' ' CYS . 10.4 tp -133.53 119.04 32.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.045 0.45 . . . . 63.3 110.188 173.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 77.9 t -131.35 104.59 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.05 0.452 . . . . 64.24 111.602 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 35' ' ' THR . 8.3 tt -111.62 131.32 55.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.406 -0.361 . . . . 70.44 110.051 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -143.37 139.11 29.86 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.981 0.42 . . . . 75.02 110.918 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.583 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -109.0 117.1 33.34 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.085 0.469 . . . . 75.32 111.349 178.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.482 ' HG2' ' OD2' ' B' ' 42' ' ' ASP . 0.0 OUTLIER -146.93 153.96 40.72 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.787 -0.642 . . . . 73.42 109.851 -179.522 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . 0.482 ' OD2' ' HG2' ' B' ' 41' ' ' LYS . 22.6 m-20 63.77 21.14 12.55 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.994 0.426 . . . . 74.01 111.388 -176.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.89 -5.15 85.64 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.541 -0.361 . . . . 50.13 113.851 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -124.8 162.03 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 122.537 -0.39 . . . . 54.34 110.201 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.583 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 25.9 p90 -121.72 144.72 48.62 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.873 -0.517 . . . . 73.2 111.685 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 8.7 t -122.75 111.79 17.13 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.005 -0.543 . . . . 71.21 110.987 175.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.671 ' SG ' HD11 ' B' ' 36' ' ' ILE . 44.9 t -92.14 128.63 38.06 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.262 -0.426 . . . . 42.21 110.726 176.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.447 ' O ' HD12 ' B' ' 36' ' ' ILE . 46.3 t-20 -109.41 113.32 26.02 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.332 -0.395 . . . . 53.42 110.671 -177.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.436 HD13 HG21 ' B' ' 26' ' ' ILE . 59.3 tp -111.62 117.38 32.79 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.246 0.546 . . . . 74.43 112.453 -176.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.585 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 69.3 mmm -112.36 112.1 23.43 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.985 -0.552 . . . . 74.21 110.966 175.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.459 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -141.6 165.41 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 116.271 -0.422 . . . . 75.32 111.46 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -92.54 136.53 33.14 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.973 0.416 . . . . 62.11 111.833 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -130.86 141.35 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.851 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' B' ' 3' ' ' ASP . 0.1 OUTLIER -73.08 -11.55 60.59 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.669 0.618 . . . . 75.23 112.669 179.627 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -174.93 176.62 2.14 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.901 0.481 . . . . 74.4 110.962 173.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 81.9 p -70.06 -32.91 71.25 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.662 0.616 . . . . 63.35 112.662 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -62.72 -42.0 99.44 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.766 0.794 . . . . 55.33 110.217 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -58.14 -39.91 79.95 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.896 -1.047 . . . . 73.34 110.976 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.411 HD22 ' HB1' ' B' ' 6' ' ' ALA . 54.7 tp -66.77 -48.17 69.88 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.217 -0.447 . . . . 71.03 111.642 177.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 70.0 p -66.04 -27.72 68.31 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.423 -0.353 . . . . 62.34 111.858 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 92.2 m -58.3 -41.8 85.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.198 0.523 . . . . 73.22 111.051 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.51 -35.58 79.84 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.996 -0.547 . . . . 63.13 111.3 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.454 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 55.3 mtt -59.01 -51.1 71.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.884 0.373 . . . . 53.22 110.526 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.14 -45.11 79.7 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.011 -0.54 . . . . 62.15 110.991 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.401 ' HE3' ' CE1' ' B' ' 29' ' ' PHE . 28.4 mtpp -55.43 -43.67 75.58 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.022 0.439 . . . . 73.32 111.71 176.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 43.6 mt -72.06 -33.11 67.7 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.184 0.516 . . . . 55.44 111.652 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.458 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 98.2 mtt180 -70.15 -7.53 42.4 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.355 0.502 . . . . 75.51 112.355 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -71.95 -15.83 62.08 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 122.011 -0.431 . . . . 60.21 111.2 176.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.481 HG12 ' H ' ' B' ' 71' ' ' GLY . 51.2 t -82.87 119.02 31.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.942 0.401 . . . . 63.0 111.257 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -62.66 -20.2 64.58 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.915 -0.584 . . . . 74.21 112.493 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.481 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -80.46 -20.47 66.48 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 121.116 -0.564 . . . . 73.5 113.73 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 53.4 t -91.3 146.06 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 117.423 0.611 . . . . 74.34 111.53 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -123.96 -21.46 5.09 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.298 0.481 . . . . 74.25 112.298 175.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.6 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 7.8 p -127.22 123.55 36.84 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.926 -0.483 . . . . 62.51 111.841 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.458 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 37.2 t -134.28 103.68 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 109.367 -0.605 . . . . 72.54 109.367 170.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -122.01 170.96 9.31 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.234 0.54 . . . . 75.15 112.231 -169.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -94.76 144.0 25.99 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.017 -0.538 . . . . 64.32 110.671 172.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' B' ' 9' ' ' ARG . 90.0 mt -92.12 125.13 36.68 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.384 -0.371 . . . . 75.33 111.349 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 97.2 p -88.93 -53.98 4.34 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.036 0.384 . . . . 73.52 112.036 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -99.85 108.25 20.47 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.138 0.494 . . . . 63.52 111.78 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.2 mt . . . . . 0 CA--C 1.535 0.386 0 CA-C-N 116.053 -0.521 . . . . 65.44 111.582 -177.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 6' ' ' ALA . 55.2 p90 . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.882 0.372 . . . . 75.12 110.418 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.2 tp -81.68 102.43 10.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.36 0.6 . . . . 54.12 110.931 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.442 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -95.37 155.75 16.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.589 -0.732 . . . . 74.13 111.575 -178.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.33 143.1 14.13 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.172 -0.467 . . . . 63.25 112.811 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.2 mt -131.34 138.08 54.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 122.727 -0.279 . . . . 73.32 110.601 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.555 ' HB2' HD21 ' A' ' 78' ' ' LEU . 54.7 ttp180 -111.75 118.37 35.43 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.183 -0.302 . . . . 74.34 110.183 174.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.524 ' O ' ' HA ' ' A' ' 46' ' ' THR . 31.6 mt -105.91 116.6 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.625 -0.261 . . . . 73.32 110.799 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.574 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 54.4 t -116.31 113.55 43.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 121.669 0.747 . . . . 71.23 111.504 178.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.26 167.62 26.03 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.388 -0.824 . . . . 53.24 112.645 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -65.16 134.05 52.88 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.389 0.614 . . . . 73.21 112.403 -177.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.505 ' CG ' HH12 ' B' ' 34' ' ' ARG . 12.6 t70 -74.08 111.77 9.57 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.811 -0.631 . . . . 74.03 111.613 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -137.77 168.61 19.33 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.489 0.922 . . . . 64.45 113.489 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -72.07 57.9 0.35 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.181 -1.372 . . . . 73.3 112.03 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.38 -33.06 0.32 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 115.451 -0.795 . . . . 72.23 113.268 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.45 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 58.4 mmm -57.96 -51.62 68.89 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.951 0.723 . . . . 71.22 112.951 -178.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.3 p -59.39 -34.15 72.07 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.186 0.517 . . . . 74.02 111.573 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.481 ' HA ' HD12 ' B' ' 33' ' ' ILE . 2.2 m-20 -76.06 -42.38 47.72 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.89 -0.596 . . . . 71.03 111.39 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.6 pt20 -71.93 -37.31 70.04 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.885 0.374 . . . . 73.43 111.293 -176.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 22' ' ' ILE . 10.1 mm -61.36 -54.33 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.237 0.458 . . . . 43.52 112.237 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.0 m -71.38 -26.97 63.02 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.412 0.625 . . . . 65.24 110.027 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.57 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.43 -45.12 96.02 Favored Glycine 0 CA--C 1.528 0.869 0 CA-C-N 115.753 -0.658 . . . . 51.03 112.582 172.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 21' ' ' GLN . 89.6 t -65.55 -38.39 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 122.364 -0.492 . . . . 61.11 110.933 176.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.462 HG21 HD13 ' A' ' 49' ' ' LEU . 62.5 mt -55.75 -44.63 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 116.165 -0.47 . . . . 74.11 112.084 176.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.5 p -64.2 -21.59 66.63 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.872 0.368 . . . . 72.12 111.03 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 91.2 mttt -86.7 14.32 7.24 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.32 -0.4 . . . . 55.33 111.724 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -86.17 175.42 8.52 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.713 0.768 . . . . 71.11 112.496 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.45 8.55 38.16 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.157 -0.928 . . . . 73.55 111.468 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 t -129.0 165.95 20.14 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 112.515 0.561 . . . . 63.33 112.515 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -99.58 119.93 38.85 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.169 -0.469 . . . . 71.32 112.115 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.61 119.21 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 116.071 -0.513 . . . . 74.0 111.425 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 4.4 mmp_? -100.98 -30.66 11.51 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.462 0.649 . . . . 64.54 110.441 175.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 18.4 m -156.95 145.65 19.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.443 -0.798 . . . . 34.55 109.791 176.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' B' ' 37' ' ' VAL . 14.3 tt -153.63 144.28 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.099 0.476 . . . . 72.24 111.738 173.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.493 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 80.5 t -136.27 134.64 49.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-N 115.625 -0.716 . . . . 72.5 110.253 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.588 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.4 tt -136.46 111.43 8.89 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.928 -0.397 . . . . 75.2 109.928 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.45 ' OD1' HG23 ' A' ' 46' ' ' THR . 6.2 p-10 -130.62 126.05 35.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.187 0.517 . . . . 63.51 111.268 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -103.67 116.6 32.65 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.175 -0.466 . . . . 45.42 112.232 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.523 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -135.92 148.97 48.76 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.001 -0.545 . . . . 73.03 110.623 178.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.0 t70 64.81 14.65 9.33 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.361 0.6 . . . . 54.15 111.761 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.92 9.87 70.34 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 121.209 -0.519 . . . . 64.3 113.211 -177.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 mt -130.06 158.3 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 122.698 0.399 . . . . 75.03 109.945 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.474 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 45.5 p90 -128.46 145.57 51.06 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 122.054 -0.404 . . . . 61.41 111.299 178.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.524 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -116.97 106.18 13.13 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.214 0.53 . . . . 61.52 111.475 174.797 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.473 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 53.6 t -88.11 100.12 12.71 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.218 0.532 . . . . 55.11 111.225 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.493 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 16.0 m120 -84.1 105.13 14.73 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.883 -0.598 . . . . 72.14 111.322 177.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.462 HD13 HG21 ' A' ' 26' ' ' ILE . 52.9 tp -98.71 132.55 44.0 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.999 0.37 . . . . 70.52 111.999 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.538 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.9 mmm -122.57 111.79 17.21 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.389 -0.369 . . . . 64.04 111.172 175.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.39 161.91 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 116.319 -0.4 . . . . 72.41 111.952 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -91.07 131.38 36.68 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.023 0.44 . . . . 75.32 111.971 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.98 147.56 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.921 0.391 . . . . 72.24 110.693 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -74.94 -19.99 59.88 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.093 0.775 . . . . 65.34 113.093 -176.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -163.84 165.63 22.7 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.96 0.409 . . . . 73.44 111.599 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.6 p -63.57 -26.9 68.9 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.058 0.392 . . . . 51.45 112.058 -176.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.18 -41.93 80.7 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.352 0.596 . . . . 71.03 109.666 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -57.98 -34.6 70.14 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.12 -0.946 . . . . 63.31 110.989 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.0 tp -71.38 -48.0 52.71 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.933 -0.576 . . . . 74.34 111.427 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.3 p -61.71 -29.49 70.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.999 0.428 . . . . 74.21 111.193 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 50.6 m -61.23 -47.9 83.94 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.151 0.5 . . . . 75.42 110.751 175.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.93 -36.73 75.25 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.068 -0.515 . . . . 75.32 111.499 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.4 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 62.6 mtt -55.13 -53.62 53.62 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.064 0.459 . . . . 64.14 110.922 175.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.66 -41.97 82.56 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.902 -0.59 . . . . 72.55 110.907 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 61' ' ' THR . 7.5 mtpm? -59.19 -40.02 84.39 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.138 -0.483 . . . . 75.54 111.444 177.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.9 mt -74.65 -29.44 61.26 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.262 0.554 . . . . 74.03 111.157 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.405 ' HE ' ' HB ' ' A' ' 75' ' ' VAL . 96.8 mtt180 -72.55 -6.52 44.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.011 -0.54 . . . . 74.13 111.997 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -71.97 -8.81 56.63 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.775 0.321 . . . . 74.24 111.152 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.5 t -93.68 111.19 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-O 120.987 0.422 . . . . 74.01 110.869 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -57.69 -28.93 64.25 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.69 0.626 . . . . 70.41 112.69 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.68 -16.09 73.91 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 121.183 -0.532 . . . . 53.43 113.87 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.3 t -93.1 134.27 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 117.405 0.603 . . . . 55.31 111.478 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.9 -13.8 11.94 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.366 0.506 . . . . 72.25 112.366 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.574 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -134.26 125.98 28.85 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.07 0.462 . . . . 71.21 111.424 174.592 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.405 ' HB ' ' HE ' ' A' ' 67' ' ' ARG . 35.0 t -130.89 104.02 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 108.925 -0.768 . . . . 64.14 108.925 170.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -124.93 156.7 37.58 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.019 -0.537 . . . . 75.32 112.298 -166.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -86.48 139.63 30.71 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.202 0.525 . . . . 64.31 111.445 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 9' ' ' ARG . 94.9 mt -89.57 108.23 19.54 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.891 -0.595 . . . . 63.4 110.233 173.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.3 p -75.51 -63.48 1.28 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.312 0.486 . . . . 73.24 112.312 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.68 119.25 25.03 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.984 0.421 . . . . 70.02 111.727 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt . . . . . 0 CA--C 1.541 0.623 0 CA-C-N 116.279 -0.419 . . . . 73.11 111.185 179.594 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.575 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 11.7 t70 . . . . . 0 N--CA 1.474 0.775 0 CA-C-O 120.727 0.299 . . . . 63.41 111.543 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' B' ' 6' ' ' ALA . 52.6 p90 -150.31 161.03 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.033 0.444 . . . . 73.31 111.412 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 48.5 tp -81.06 103.46 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.219 0.533 . . . . 74.41 110.79 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.419 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . . . -96.49 152.18 18.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.817 -0.629 . . . . 73.2 112.209 -177.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.53 144.8 15.34 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 116.155 -0.475 . . . . 41.32 113.163 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 51.3 mt -133.59 143.41 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 122.864 0.466 . . . . 52.1 110.471 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.511 ' HB2' HD21 ' B' ' 78' ' ' LEU . 40.1 ttt180 -118.11 131.91 56.39 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.988 -0.445 . . . . 63.41 111.172 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.506 HD11 HD13 ' B' ' 66' ' ' LEU . 37.1 mt -119.46 117.33 53.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.001 -0.545 . . . . 73.42 110.856 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.621 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 60.3 t -121.83 118.65 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.593 0.711 . . . . 73.32 111.119 176.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.0 169.65 26.13 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-N 115.213 -0.903 . . . . 63.15 112.055 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -64.42 132.57 50.43 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.139 0.495 . . . . 75.54 111.625 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -71.9 89.67 1.09 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.354 0.597 . . . . 75.03 111.221 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -105.09 164.03 12.12 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.408 0.623 . . . . 71.32 112.156 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -64.68 5.42 0.3 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.175 -0.92 . . . . 74.42 113.374 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.3 -7.65 0.47 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 120.745 -0.74 . . . . 51.32 113.839 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.484 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 60.9 mmm -70.75 -52.26 21.9 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.466 0.913 . . . . 73.22 113.466 -173.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 75.8 p -61.7 -30.03 70.48 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.946 -0.471 . . . . 74.12 111.63 -178.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -76.49 -47.97 21.07 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.964 0.412 . . . . 62.34 110.819 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.541 ' O ' HG23 ' B' ' 25' ' ' VAL . 9.9 pt20 -66.45 -36.08 81.88 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.347 -0.388 . . . . 71.21 111.684 -177.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.457 HG13 ' CZ ' ' B' ' 45' ' ' PHE . 12.0 mm -63.2 -53.61 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 112.398 0.518 . . . . 55.01 112.398 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 5.1 m -68.38 -27.31 66.12 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.218 0.532 . . . . 71.33 110.021 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.74 -46.34 94.4 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-N 116.051 -0.522 . . . . 74.24 112.589 171.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 21' ' ' GLN . 77.2 t -57.69 -45.65 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.252 0.548 . . . . 75.0 110.677 174.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.442 HG21 HD13 ' B' ' 49' ' ' LEU . 79.8 mt -60.08 -47.32 92.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-N 115.728 -0.669 . . . . 73.12 111.921 177.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . 0.528 ' HA ' HD11 ' B' ' 33' ' ' ILE . 94.2 p -62.83 -24.48 67.8 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.233 0.457 . . . . 72.01 112.233 -176.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.54 14.77 25.38 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.365 0.505 . . . . 73.2 112.365 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -68.34 165.99 17.52 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.458 0.647 . . . . 75.54 111.465 173.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -92.96 7.85 42.3 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.552 -0.749 . . . . 73.54 111.703 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 t -111.22 159.8 17.56 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.895 0.379 . . . . 74.43 111.277 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.435 ' O ' HG22 ' B' ' 51' ' ' ILE . 26.2 t-20 -86.85 120.77 28.49 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.993 0.425 . . . . 71.34 111.847 -176.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' B' ' 27' ' ' SER . 67.7 mt -67.67 111.16 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 121.174 0.512 . . . . 54.1 111.537 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.505 HH12 ' CG ' ' A' ' 14' ' ' ASP . 8.1 tpp180 -92.25 -34.92 14.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.893 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 67.5 m -158.67 132.66 7.75 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.308 -0.406 . . . . 74.11 110.852 174.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.51 HD11 ' SG ' ' B' ' 47' ' ' CYS . 11.2 tp -130.82 136.97 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 120.926 0.393 . . . . 71.44 110.779 174.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 58.5 t -133.18 140.42 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 116.283 -0.417 . . . . 74.25 110.381 176.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 35' ' ' THR . 9.9 tt -144.85 134.43 23.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 122.156 -0.34 . . . . 53.33 110.459 174.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -148.85 135.25 19.43 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.862 0.363 . . . . 63.24 111.242 172.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -99.68 123.88 44.37 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.3 -0.409 . . . . 45.5 111.427 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -141.58 144.59 34.32 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.065 -0.516 . . . . 65.42 111.138 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 63.24 13.85 7.28 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.499 0.555 . . . . 73.0 112.499 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.44 -2.62 65.3 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 121.061 -0.59 . . . . 73.31 112.644 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.433 HG22 ' H ' ' B' ' 45' ' ' PHE . 2.0 mt -116.97 178.63 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 123.437 0.695 . . . . 55.54 109.225 178.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.52 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 32.4 p90 -137.44 161.37 36.52 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.854 -0.529 . . . . 74.35 111.244 170.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 t -134.85 115.01 13.16 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.023 0.44 . . . . 75.44 111.088 174.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' B' ' 36' ' ' ILE . 46.3 t -108.11 120.14 41.48 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.286 -0.415 . . . . 75.25 111.29 178.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -103.0 111.63 24.06 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.773 0.321 . . . . 65.03 110.974 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.442 HD13 HG21 ' B' ' 26' ' ' ILE . 44.9 tp -99.06 132.53 44.3 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.053 0.454 . . . . 71.11 111.987 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.555 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 60.4 mmm -124.13 113.23 18.08 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.237 -0.438 . . . . 55.55 110.681 175.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.517 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -144.57 158.74 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.06 0.457 . . . . 72.45 111.755 -177.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -91.54 140.28 29.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.913 0.387 . . . . 73.02 111.57 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 8.9 m -139.66 140.89 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.489 -0.323 . . . . 74.1 110.258 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.471 ' NZ ' ' HB2' ' B' ' 54' ' ' LYS . 4.7 ttmp? -71.02 -36.25 72.34 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 111.994 0.368 . . . . 75.15 111.994 178.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.475 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 40.0 m-80 -135.44 151.31 50.29 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.527 -0.306 . . . . 64.03 111.273 -177.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 64.9 p -61.08 -30.18 70.19 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.777 0.323 . . . . 73.34 111.353 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -62.01 -40.49 95.86 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.616 0.722 . . . . 64.3 110.183 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 45.3 tptt -58.04 -40.5 81.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.287 -0.869 . . . . 74.31 110.843 174.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.663 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 60.4 tp -68.37 -48.13 65.58 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.13 -0.486 . . . . 72.14 111.663 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 69.5 p -62.51 -34.96 77.92 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.053 0.454 . . . . 71.34 111.269 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.462 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 72.0 m -59.53 -40.72 88.1 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.239 -0.437 . . . . 63.22 111.279 175.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.09 -41.47 96.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.702 0.287 . . . . 73.23 111.306 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.663 ' HE3' ' HG ' ' B' ' 59' ' ' LEU . 50.5 mtt -55.67 -48.33 75.24 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.191 0.52 . . . . 72.42 110.275 175.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.9 -46.26 78.43 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.628 -0.715 . . . . 71.43 111.033 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 61' ' ' THR . 52.9 mtpt -58.24 -37.54 75.1 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.22 -0.446 . . . . 44.32 111.749 178.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.506 HD13 HD11 ' B' ' 10' ' ' ILE . 59.0 mt -76.05 -33.23 59.59 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.143 0.497 . . . . 43.13 111.785 178.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' B' ' 63' ' ' MET . 86.9 mtt180 -67.69 -8.16 32.9 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.651 0.612 . . . . 74.04 112.651 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -71.93 -13.7 61.72 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 111.808 0.299 . . . . 74.44 111.808 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.437 HG12 ' H ' ' B' ' 71' ' ' GLY . 54.0 t -86.98 117.26 30.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-O 120.99 0.424 . . . . 72.34 111.823 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.94 -23.0 63.19 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.93 0.715 . . . . 74.33 112.93 -177.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.484 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -76.68 -16.95 80.33 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 120.957 -0.64 . . . . 74.44 113.695 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.403 HG23 ' HE1' ' B' ' 18' ' ' MET . 58.8 t -97.42 141.85 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 117.227 0.514 . . . . 63.11 111.834 -178.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.4 -6.96 6.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.578 0.584 . . . . 73.53 112.578 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.621 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.6 p -136.0 118.41 15.74 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.902 0.382 . . . . 71.21 111.588 175.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.0 t -135.45 105.37 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.717 -0.475 . . . . 74.34 109.717 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -142.09 171.89 13.44 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.131 0.491 . . . . 71.41 111.897 -173.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -85.31 147.32 26.6 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.383 0.611 . . . . 75.31 112.132 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' B' ' 9' ' ' ARG . 96.0 mt -93.19 109.81 21.32 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.857 -0.61 . . . . 72.21 110.268 173.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 83.9 p -71.82 -68.78 0.43 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.488 0.551 . . . . 72.11 112.488 -174.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -88.67 106.63 18.46 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.011 0.434 . . . . 65.21 111.486 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 51.6 mt . . . . . 0 CA--C 1.539 0.533 0 CA-C-O 121.083 0.468 . . . . 64.34 111.577 -179.519 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.2 p90 . . . . . 0 C--O 1.235 0.3 0 CA-C-O 121.382 0.61 . . . . 74.13 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -82.03 102.61 11.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.737 -0.665 . . . . 70.23 110.234 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.46 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -94.17 134.73 36.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.915 -0.584 . . . . 71.54 112.007 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.13 145.48 16.6 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.19 -0.529 . . . . 74.25 112.607 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.428 HD12 HD23 ' A' ' 49' ' ' LEU . 27.9 mt -130.51 136.99 57.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 122.529 -0.395 . . . . 73.03 110.539 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' HB2' HD21 ' A' ' 78' ' ' LEU . 66.4 ttt180 -113.86 117.98 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 72.23 110.93 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.7 HD11 HD13 ' A' ' 66' ' ' LEU . 33.5 mt -109.65 117.03 53.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.472 . . . . 62.52 110.618 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.632 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 49.3 t -117.5 105.87 18.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.717 0.77 . . . . 74.12 111.011 174.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.08 162.37 21.87 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.1 -0.955 . . . . 74.22 112.175 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -76.97 126.78 31.54 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.393 0.616 . . . . 72.14 112.062 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -69.32 105.43 2.55 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.905 -0.589 . . . . 61.32 111.561 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -165.8 137.51 3.91 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.228 0.455 . . . . 73.44 112.228 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 59.69 14.69 4.2 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.973 1.101 . . . . 54.34 113.973 171.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.641 ' HA2' HD22 ' B' ' 32' ' ' ASN . . . 100.32 21.79 12.65 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.453 -0.88 . . . . 34.24 113.828 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.48 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 36.8 mmm -53.9 -48.76 69.81 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.901 0.382 . . . . 43.42 112.029 176.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.1 p -54.0 -41.78 68.32 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.119 0.485 . . . . 54.42 111.829 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.445 ' OD1' ' HA ' ' B' ' 27' ' ' SER . 56.5 t30 -76.56 -42.35 43.18 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.029 -0.532 . . . . 73.12 110.963 -175.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.2 pt20 -66.79 -33.86 76.55 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.885 0.374 . . . . 74.43 111.242 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 22' ' ' ILE . 7.1 mm -61.59 -53.01 54.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 112.183 0.438 . . . . 51.31 112.183 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 m -70.01 -27.56 64.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.328 0.585 . . . . 73.1 110.107 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.12 -33.78 81.11 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 115.879 -0.6 . . . . 73.4 112.546 170.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 21' ' ' GLN . 92.0 t -74.56 -35.53 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 121.012 0.435 . . . . 73.42 110.955 174.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.421 HG22 HD11 ' A' ' 33' ' ' ILE . 70.0 mt -61.41 -36.56 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 CA-C-O 120.996 0.427 . . . . 73.31 111.466 176.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.2 p -63.77 -20.6 65.89 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 122.123 -0.361 . . . . 72.41 111.651 176.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.532 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 11.5 mmpt? -71.65 -8.33 53.45 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 111.807 0.299 . . . . 54.34 111.807 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -74.83 159.97 31.26 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.737 1.014 . . . . 72.34 113.737 -172.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -85.8 -10.43 55.48 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.739 -1.119 . . . . 64.35 111.197 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 t -100.97 173.47 6.47 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.937 0.399 . . . . 75.44 111.781 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -106.1 121.48 44.24 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.789 0.328 . . . . 61.24 111.761 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 26' ' ' ILE . 59.8 mt -68.56 105.28 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 116.32 -0.4 . . . . 65.22 111.39 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.96 -21.03 25.1 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.844 -0.535 . . . . 64.32 110.968 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 90.5 m -158.07 131.91 7.9 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.009 -0.542 . . . . 72.34 110.839 175.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.679 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.8 tp -135.02 133.83 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.945 0.402 . . . . 62.24 110.303 173.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 95.7 t -127.82 136.43 60.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 116.081 -0.509 . . . . 72.3 110.261 176.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.633 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.2 tt -143.94 122.51 12.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.845 0.355 . . . . 65.14 110.092 175.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 4.1 p-10 -144.7 124.99 13.76 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.93 -0.577 . . . . 73.51 110.931 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.42 113.25 25.85 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.15 0.5 . . . . 74.21 112.164 -177.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.553 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -138.49 157.01 47.01 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.791 -0.64 . . . . 74.32 109.459 175.312 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.427 ' OD2' ' HG2' ' A' ' 41' ' ' LYS . 21.8 m-20 65.31 14.78 9.65 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.097 0.475 . . . . 72.32 110.856 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.98 9.96 86.56 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 121.383 -0.437 . . . . 73.11 112.54 -173.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.3 mt -128.63 154.75 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 122.921 0.488 . . . . 72.3 110.447 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 49.5 p90 -119.61 144.67 47.0 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.784 -0.573 . . . . 73.01 111.352 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 t -116.08 99.62 7.37 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.038 0.447 . . . . 74.01 111.095 174.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.679 ' SG ' HD11 ' A' ' 36' ' ' ILE . 42.4 t -87.02 111.19 20.63 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.008 0.432 . . . . 62.4 111.285 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.524 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 14.5 m120 -97.8 106.97 19.36 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.094 -0.503 . . . . 72.35 111.112 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 8' ' ' ILE . 62.3 tp -98.91 133.26 43.45 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.885 0.374 . . . . 75.04 111.776 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.554 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 66.6 mmm -123.0 112.07 17.36 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.903 0.383 . . . . 73.31 111.075 175.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.81 158.91 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 116.199 -0.455 . . . . 44.55 111.542 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -90.21 139.24 30.83 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.991 0.424 . . . . 63.52 111.505 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.8 m -131.82 147.27 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 120.981 0.42 . . . . 65.4 111.363 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.497 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.5 ptmt -85.21 -14.2 47.57 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.092 -0.504 . . . . 72.35 112.316 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.497 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.7 p30 -164.71 167.79 18.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.097 0.475 . . . . 71.45 111.655 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.4 p -67.33 -36.8 82.18 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.397 0.518 . . . . 74.31 112.397 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.03 -33.37 75.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.729 0.776 . . . . 73.32 110.296 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 49.7 tptt -59.47 -47.12 86.7 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.38 -0.827 . . . . 74.02 110.819 172.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.46 HD13 ' HB1' ' A' ' 6' ' ' ALA . 54.7 tp -64.43 -47.93 77.23 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.038 -0.528 . . . . 63.13 111.693 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.7 p -61.5 -35.44 77.7 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 111.662 0.245 . . . . 72.52 111.662 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.9 m -63.24 -44.15 96.04 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.68 0.276 . . . . 72.15 111.127 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.8 mt -58.02 -46.18 85.71 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.937 0.399 . . . . 74.42 111.22 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.404 ' HG2' HG23 ' A' ' 8' ' ' ILE . 71.4 mtm -61.95 -33.54 74.47 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.387 -0.369 . . . . 71.43 111.48 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -69.1 -44.34 72.65 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.048 0.451 . . . . 74.22 110.551 174.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -54.55 -40.95 69.22 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.213 0.53 . . . . 65.42 111.327 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.7 HD13 HD11 ' A' ' 10' ' ' ILE . 59.4 mt -74.21 -33.25 63.32 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.883 -0.599 . . . . 73.3 111.535 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 67' ' ' ARG . 44.0 ttm105 -71.91 -6.44 41.94 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.966 -0.561 . . . . 64.2 111.972 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -70.82 -16.61 62.74 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 122.096 -0.377 . . . . 71.45 111.441 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.9 t -78.49 116.99 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.12 0.486 . . . . 74.01 111.47 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -57.45 -26.75 61.67 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.921 0.711 . . . . 62.53 112.921 -176.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.02 -11.35 85.27 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.864 -0.684 . . . . 31.43 113.442 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.4 t -93.14 144.11 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 O-C-N 122.199 -0.589 . . . . 75.25 111.178 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -128.43 -8.02 5.22 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.184 -0.462 . . . . 73.01 112.031 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.632 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.2 p -139.11 126.38 21.43 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.061 0.458 . . . . 65.33 111.335 173.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 t -136.32 103.47 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.945 -0.761 . . . . 73.4 108.945 171.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -124.41 154.38 40.51 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.491 0.552 . . . . 73.14 112.491 -169.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HG3' HD21 ' A' ' 59' ' ' LEU . 52.4 ttp85 -82.14 131.76 35.24 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.773 -0.649 . . . . 75.3 111.671 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.431 HD11 HD22 ' A' ' 48' ' ' ASN . 98.5 mt -95.58 105.37 17.35 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.972 0.415 . . . . 65.51 111.269 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.5 p -89.97 -38.73 13.44 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.033 0.444 . . . . 62.22 110.823 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -76.69 100.77 5.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.083 -0.508 . . . . 71.5 111.244 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 121.3 0.571 . . . . 63.53 111.951 -177.033 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 120.844 0.354 . . . . 72.44 111.622 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -151.06 154.55 37.22 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.042 0.449 . . . . 74.32 111.301 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.6 tp -79.07 103.14 8.81 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.968 -0.56 . . . . 74.32 110.535 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -96.27 133.22 40.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 40.52 112.136 -176.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.46 150.48 17.63 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.198 -0.525 . . . . 75.11 113.354 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 53.8 mt -135.78 128.24 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 122.563 0.345 . . . . 74.41 110.424 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.548 ' HB2' HD21 ' B' ' 78' ' ' LEU . 66.7 ttt180 -100.78 136.95 39.83 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.894 -0.504 . . . . 73.23 111.331 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.615 HD11 HD13 ' B' ' 66' ' ' LEU . 62.7 mt -126.05 117.96 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.862 -0.608 . . . . 74.03 110.973 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.647 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 43.1 t -118.02 112.96 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 121.591 0.71 . . . . 72.41 110.919 172.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.04 165.34 25.16 Favored Glycine 0 CA--C 1.522 0.478 0 CA-C-N 115.512 -0.767 . . . . 64.42 112.553 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -67.66 126.97 31.05 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.313 0.577 . . . . 71.25 111.828 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.95 94.39 0.63 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.201 0.524 . . . . 65.41 110.983 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -118.78 175.14 5.88 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.792 1.034 . . . . 74.3 113.792 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 67.31 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 113.188 -1.823 . . . . 72.22 113.361 175.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.39 -15.28 8.68 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.029 -0.605 . . . . 71.31 114.442 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.433 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 36.8 mmm -53.94 -50.67 65.92 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 117.601 0.701 . . . . 64.34 112.737 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.9 p -58.59 -36.54 74.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.257 0.551 . . . . 74.02 111.377 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -73.67 -40.76 63.45 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.904 -0.589 . . . . 75.34 110.868 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.486 ' O ' HG23 ' B' ' 25' ' ' VAL . 9.9 pt20 -73.82 -35.58 64.86 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.1 -0.5 . . . . 70.11 111.395 -178.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.435 HG13 ' HZ ' ' B' ' 45' ' ' PHE . 12.4 mm -62.08 -54.29 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 112.256 0.465 . . . . 73.24 112.256 -177.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -67.64 -27.33 66.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.47 0.652 . . . . 71.31 110.006 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.552 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -62.07 -48.51 82.68 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.752 -0.658 . . . . 71.33 112.591 172.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 21' ' ' GLN . 90.7 t -61.05 -37.59 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.889 0.376 . . . . 63.12 111.113 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.489 HG21 HD13 ' B' ' 49' ' ' LEU . 73.3 mt -58.24 -41.63 81.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-O 121.079 0.466 . . . . 74.32 111.34 175.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . 0.445 ' HA ' ' OD1' ' A' ' 20' ' ' ASN . 6.2 m -59.89 -23.89 63.84 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.33 0.586 . . . . 65.43 111.233 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 43.1 mtpt -87.23 20.62 2.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.75 -0.659 . . . . 72.44 111.641 -175.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -92.64 164.76 13.28 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.411 0.624 . . . . 72.21 111.782 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.38 -23.97 54.13 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.597 -0.729 . . . . 74.14 111.345 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.1 t -91.28 178.71 5.9 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.653 -0.703 . . . . 73.15 112.457 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.641 HD22 ' HA2' ' A' ' 17' ' ' GLY . 28.5 t-20 -106.39 125.21 50.72 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.256 -0.429 . . . . 74.24 111.476 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.464 ' HA ' HG22 ' B' ' 51' ' ' ILE . 62.1 mt -66.89 103.73 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 116.341 -0.39 . . . . 63.12 111.382 177.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -82.35 -32.57 29.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 72.11 110.603 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.592 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 69.7 m -153.89 132.48 12.17 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.951 -0.568 . . . . 53.13 110.987 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.633 HG22 ' HB3' ' A' ' 38' ' ' LEU . 10.7 tp -135.7 137.7 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 120.996 0.427 . . . . 73.14 110.822 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.485 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 84.7 t -133.35 141.57 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.141 -0.482 . . . . 64.15 110.611 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' A' ' 35' ' ' THR . 7.7 tt -145.4 131.87 19.74 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 122.109 -0.369 . . . . 64.51 110.194 174.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -149.61 148.9 29.88 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 120.838 0.351 . . . . 53.32 111.056 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.31 138.43 43.52 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.129 0.49 . . . . 73.04 110.434 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -126.9 -93.13 0.48 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.018 -0.537 . . . . 72.3 112.356 -170.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.55 44.68 0.99 Allowed 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 122.783 0.433 . . . . 72.35 111.501 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.64 18.58 77.34 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.58 -0.819 . . . . 62.11 111.422 -170.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.1 mt -135.31 147.78 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 123.642 0.777 . . . . 60.51 109.484 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 44.4 p90 -112.02 137.06 50.57 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.655 -0.418 . . . . 75.52 111.037 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.3 t -111.3 100.24 8.89 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.368 0.604 . . . . 75.12 111.341 174.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.544 ' SG ' HD11 ' B' ' 36' ' ' ILE . 48.4 t -91.11 131.34 36.74 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.077 -0.511 . . . . 74.33 111.907 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.485 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 16.2 m120 -111.7 110.73 21.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 122.495 0.318 . . . . 75.32 110.888 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.489 HD13 HG21 ' B' ' 26' ' ' ILE . 46.5 tp -99.11 137.29 37.85 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.883 0.373 . . . . 71.31 111.875 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.535 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.3 mmm -131.67 112.3 12.44 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.254 -0.43 . . . . 75.34 111.275 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -138.76 160.77 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.349 -0.387 . . . . 63.4 111.612 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -93.56 137.47 32.81 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.977 0.417 . . . . 71.35 111.912 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.9 m -131.95 163.43 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 116.178 -0.464 . . . . 63.54 110.904 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -93.29 -16.89 24.24 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 111.765 0.284 . . . . 73.0 111.765 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -161.46 172.86 15.75 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.101 0.477 . . . . 72.4 111.811 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -74.61 -30.53 61.7 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.085 -0.507 . . . . 72.3 112.331 -177.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -63.58 -39.9 95.59 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.964 0.887 . . . . 63.52 109.76 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -59.88 -35.56 75.08 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.583 -1.189 . . . . 63.32 111.423 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.612 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 57.4 tp -76.67 -47.44 22.09 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.287 -0.415 . . . . 71.13 111.653 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 73.1 p -59.48 -32.12 69.97 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.935 0.398 . . . . 74.03 111.594 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 70.2 m -64.25 -42.42 96.51 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.256 -0.429 . . . . 73.24 111.747 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 64.7 mt -62.1 -37.32 84.66 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.69 0.281 . . . . 74.13 111.109 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.612 ' HE3' ' HG ' ' B' ' 59' ' ' LEU . 56.2 mtt -55.78 -50.93 69.11 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.104 0.478 . . . . 71.14 110.632 175.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.37 -43.2 96.81 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.784 -0.644 . . . . 60.13 111.008 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -56.54 -40.7 75.54 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.082 0.468 . . . . 74.5 111.551 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.615 HD13 HD11 ' B' ' 10' ' ' ILE . 65.9 mt -74.01 -35.02 64.37 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.163 -0.471 . . . . 72.52 111.747 178.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.448 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 95.2 mtt180 -68.71 -7.79 36.72 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.802 0.667 . . . . 73.51 112.802 -179.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -72.61 -13.3 61.35 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.102 -0.374 . . . . 73.12 111.467 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 40.8 t -86.44 108.54 17.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.301 0.572 . . . . 64.11 111.336 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -34.43 9.14 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.311 -0.859 . . . . 64.51 113.082 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.5 -20.52 73.77 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.134 -0.555 . . . . 74.4 113.927 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.44 HG11 HG23 ' B' ' 10' ' ' ILE . 93.5 t -99.29 134.09 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 122.358 -0.495 . . . . 73.35 111.484 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -117.06 -7.62 11.3 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.709 0.633 . . . . 74.23 112.709 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.647 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 8.8 p -136.31 121.46 19.03 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.95 0.405 . . . . 62.43 111.572 175.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.448 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 43.6 t -135.39 104.64 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.558 -0.534 . . . . 71.04 109.558 171.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -128.71 168.82 15.26 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.179 0.514 . . . . 70.04 112.328 -170.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -86.71 139.57 30.63 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.042 -0.526 . . . . 73.45 112.315 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' B' ' 9' ' ' ARG . 96.2 mt -108.47 96.64 6.49 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.071 -0.513 . . . . 72.33 110.788 174.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 71.6 m -96.85 -22.01 17.16 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.005 0.431 . . . . 64.43 111.41 175.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -86.13 81.99 8.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.066 0.46 . . . . 70.33 110.286 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 112.733 0.642 . . . . 60.51 112.733 -172.563 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.7 p90 . . . . . 0 N--CA 1.468 0.434 0 CA-C-O 120.832 0.349 . . . . 74.53 111.074 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.65 105.64 12.05 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.25 0.548 . . . . 53.4 110.713 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.56 149.44 24.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.817 -0.629 . . . . 63.42 111.898 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.42 148.07 16.73 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.334 -0.46 . . . . 75.22 113.117 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.3 mt -134.36 139.64 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.687 0.395 . . . . 40.32 110.422 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' HB3' ' HG3' ' A' ' 76' ' ' GLU . 35.3 ttm180 -117.42 120.9 39.56 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.278 0.561 . . . . 72.51 111.351 177.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.604 HD11 HD13 ' A' ' 66' ' ' LEU . 53.1 mt -110.77 118.9 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.605 -0.725 . . . . 74.23 111.588 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.599 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 74.8 t -125.17 121.23 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.458 0.647 . . . . 71.32 111.102 174.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.44 168.18 29.1 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 115.655 -0.702 . . . . 70.41 112.521 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.39 129.93 41.82 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.251 0.548 . . . . 72.43 111.37 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -74.62 103.15 4.81 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.161 -0.472 . . . . 74.2 111.516 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.53 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 10.1 mmmm -112.78 -177.89 3.26 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.971 0.891 . . . . 75.03 112.616 -177.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.412 ' O ' ' ND2' ' B' ' 32' ' ' ASN . 37.4 m-80 -50.14 -27.93 6.57 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.269 -1.332 . . . . 74.35 114.019 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.33 23.61 0.86 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 119.97 -1.11 . . . . 44.21 114.822 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.53 ' HG2' ' HB2' ' A' ' 15' ' ' LYS . 74.4 mmm -70.07 -51.34 32.72 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 117.715 0.757 . . . . 70.34 112.191 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.0 p -57.86 -37.24 73.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.938 0.399 . . . . 73.12 111.812 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -76.38 -46.86 25.44 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.241 -0.436 . . . . 75.21 110.743 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.1 pt20 -65.03 -36.14 83.42 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.708 0.29 . . . . 64.33 111.633 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.437 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 10.8 mm -64.48 -53.56 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.043 0.386 . . . . 73.12 112.043 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.8 m -68.99 -27.7 65.94 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.094 0.473 . . . . 63.31 110.39 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.02 -49.32 68.03 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 116.206 -0.452 . . . . 62.15 112.339 173.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 21' ' ' GLN . 77.1 t -56.8 -39.35 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.208 0.528 . . . . 74.01 110.682 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.462 HG21 HD13 ' A' ' 49' ' ' LEU . 73.4 mt -63.49 -46.21 95.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 115.905 -0.589 . . . . 64.31 111.705 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.0 p -65.86 -22.42 66.53 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 111.984 0.364 . . . . 71.54 111.984 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -97.4 24.02 6.98 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.909 0.385 . . . . 73.44 111.338 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -78.49 -174.58 3.88 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.494 0.664 . . . . 74.44 111.351 171.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -91.44 -40.83 11.2 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.368 -0.833 . . . . 72.25 111.727 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 t -76.85 173.45 11.7 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.029 -0.532 . . . . 63.12 112.332 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.535 ' OD1' ' HB2' ' B' ' 20' ' ' ASN . 62.0 t30 -110.13 142.52 41.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.136 0.493 . . . . 72.11 111.631 -176.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -75.08 115.48 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.775 -0.648 . . . . 73.51 112.199 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 12.4 mmt180 -92.04 -33.14 14.93 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.149 0.5 . . . . 64.34 110.885 174.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 12.3 m -157.39 144.48 18.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.938 -0.573 . . . . 75.32 109.937 175.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 17.8 tt -152.41 131.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.942 0.401 . . . . 74.01 111.08 171.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.567 HG22 HG13 ' B' ' 37' ' ' VAL . 93.7 t -131.06 106.18 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.128 -0.487 . . . . 73.11 111.197 -176.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.585 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.3 tt -118.64 121.81 41.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.59 -0.277 . . . . 71.41 110.973 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.01 141.85 31.45 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 120.874 0.368 . . . . 70.51 111.344 173.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.575 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -109.88 129.37 55.66 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.4 0.519 . . . . 75.05 112.4 -176.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.38 162.21 40.86 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.797 -0.638 . . . . 64.31 110.268 178.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 63.53 15.58 8.94 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.689 0.396 . . . . 60.55 111.695 -177.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.36 4.27 90.24 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.007 -0.615 . . . . 73.45 112.276 -174.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.44 170.68 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 109.538 -0.542 . . . . 75.22 109.538 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 21.4 p90 -131.94 150.74 52.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.1 -0.375 . . . . 75.55 110.676 172.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 3.8 t -132.71 121.53 23.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 74.42 111.251 176.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.8 t -119.8 119.76 34.53 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.107 -0.497 . . . . 74.52 111.48 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.9 m-20 -98.37 115.27 28.11 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 120.77 0.319 . . . . 61.24 110.848 176.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.462 HD13 HG21 ' A' ' 26' ' ' ILE . 50.1 tp -98.73 128.79 45.1 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.436 -0.347 . . . . 42.24 111.423 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.446 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 70.5 mmm -120.44 110.27 16.3 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.393 -0.367 . . . . 71.13 110.996 178.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 32' ' ' ASN . 2.3 pp -143.0 162.19 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 116.177 -0.465 . . . . 75.33 111.789 -175.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -90.79 136.94 32.74 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.747 0.308 . . . . 74.44 111.479 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 m -129.58 142.72 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 120.867 0.365 . . . . 70.4 111.533 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.619 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 18.5 ptpt -68.75 -20.84 64.39 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.632 0.604 . . . . 73.45 112.632 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.619 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.0 p30 -166.19 168.48 15.25 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.1 0.476 . . . . 75.23 111.907 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.2 p -63.61 -32.26 73.68 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.207 -0.451 . . . . 72.15 112.061 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' HB3' ' OD1' ' A' ' 55' ' ' ASN . 21.4 t70 -65.04 -40.97 95.59 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.499 0.666 . . . . 71.55 109.806 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -60.02 -30.99 69.53 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.351 -0.84 . . . . 63.03 111.348 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.401 HD21 ' HG3' ' A' ' 77' ' ' ARG . 51.6 tp -76.47 -48.62 18.96 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.347 -0.388 . . . . 74.04 111.811 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.445 ' HA ' ' HG3' ' A' ' 63' ' ' MET . 5.1 t -68.3 -28.58 67.3 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.979 0.419 . . . . 54.44 111.65 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.8 m -59.0 -40.74 85.83 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.915 0.388 . . . . 74.52 110.997 172.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.79 -34.98 78.39 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.336 -0.227 . . . . 63.13 111.245 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.445 ' HG3' ' HA ' ' A' ' 60' ' ' THR . 50.7 mtt -54.25 -51.78 63.43 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.955 0.407 . . . . 73.12 110.3 175.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 33.1 t70 -52.29 -51.8 56.51 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.9 -0.591 . . . . 61.53 111.474 178.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -53.43 -37.32 62.46 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.757 -0.656 . . . . 70.43 111.82 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.604 HD13 HD11 ' A' ' 10' ' ' ILE . 52.4 mt -81.71 -28.38 33.47 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.049 0.452 . . . . 74.21 111.676 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 63' ' ' MET . 92.1 mtt180 -75.38 -7.47 54.12 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.419 -0.355 . . . . 74.31 111.752 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 2.3 mmmp? -72.28 -8.13 53.19 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.81 0.338 . . . . 54.2 111.734 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 71' ' ' GLY . 46.5 t -92.25 114.94 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 121.145 0.498 . . . . 74.31 111.393 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -56.0 -23.23 31.55 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.958 0.725 . . . . 75.33 112.958 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.447 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -80.88 -17.01 73.65 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 120.893 -0.67 . . . . 53.04 113.921 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.9 t -96.33 126.3 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 117.674 0.737 . . . . 65.34 111.772 -178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.27 -12.61 15.04 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.56 0.578 . . . . 72.4 112.56 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.599 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.8 p -131.72 117.94 19.29 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.324 0.583 . . . . 72.52 111.75 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.9 t -130.27 104.87 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.143 -0.688 . . . . 61.41 109.143 169.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG3' ' HB3' ' A' ' 9' ' ' ARG . 8.2 pt-20 -130.14 162.0 29.83 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.795 0.665 . . . . 72.35 112.795 -167.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.401 ' HG3' HD21 ' A' ' 59' ' ' LEU . 42.3 ttp180 -91.63 130.48 37.43 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.674 -0.693 . . . . 71.43 112.048 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.6 mt -96.15 107.66 20.01 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.266 -0.425 . . . . 72.41 111.332 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.6 t -87.69 -47.74 8.42 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.006 0.432 . . . . 64.34 110.785 176.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -75.34 124.96 28.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.42 -0.355 . . . . 72.21 110.244 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.1 mt . . . . . 0 CA--C 1.532 0.26 0 CA-C-O 121.069 0.462 . . . . 74.54 110.775 -173.075 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 CA--C 1.544 0.746 0 CA-C-O 121.223 0.535 . . . . 73.21 112.264 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -154.75 163.68 39.9 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.35 -0.386 . . . . 61.14 111.081 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -86.09 108.48 18.3 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.913 0.387 . . . . 72.13 111.299 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.465 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -97.4 146.16 25.46 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.175 -0.466 . . . . 61.42 111.83 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.47 142.94 14.4 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 121.225 -0.512 . . . . 61.45 113.208 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mt -132.5 146.45 32.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 122.814 0.446 . . . . 55.54 110.458 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -126.83 130.68 50.72 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.177 -0.327 . . . . 73.13 110.877 173.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.564 HD11 HD13 ' B' ' 66' ' ' LEU . 25.9 mt -118.07 116.63 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 116.364 -0.38 . . . . 53.21 111.464 -177.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.602 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 87.0 t -117.43 113.43 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.637 0.732 . . . . 65.11 111.133 175.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.64 169.68 23.71 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 115.378 -0.828 . . . . 41.35 112.176 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -66.68 137.12 56.46 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.334 0.588 . . . . 62.43 111.824 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -74.09 93.4 2.27 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.749 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.621 ' HB2' ' HG3' ' B' ' 18' ' ' MET . 8.6 mmmm -97.1 -177.84 3.99 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.513 0.931 . . . . 64.23 113.513 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -31.37 -44.78 0.07 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 113.556 -1.656 . . . . 63.23 113.146 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.56 28.54 0.29 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 121.028 -0.606 . . . . 71.45 113.279 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.621 ' HG3' ' HB2' ' B' ' 15' ' ' LYS . 38.7 mtp -61.61 -43.98 97.84 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.396 -0.473 . . . . 71.35 112.249 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 47.2 p -55.64 -39.02 70.31 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.976 0.417 . . . . 73.22 111.896 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.535 ' HB2' ' OD1' ' A' ' 32' ' ' ASN . 36.0 t-20 -75.4 -47.06 29.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.934 0.397 . . . . 70.45 111.194 -178.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.554 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 8.5 pt20 -64.52 -38.72 92.0 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.576 -0.284 . . . . 70.3 111.391 -178.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' B' ' 22' ' ' ILE . 9.2 mm -56.89 -53.51 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.722 0.296 . . . . 62.42 111.704 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 9.4 m -72.26 -28.08 62.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.424 0.63 . . . . 54.22 110.428 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.27 -35.8 92.56 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 115.878 -0.601 . . . . 72.32 113.128 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.17 -35.63 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 122.397 -0.472 . . . . 74.15 111.039 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.513 HG21 HD13 ' B' ' 49' ' ' LEU . 62.3 mt -56.12 -42.72 73.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.906 0.384 . . . . 71.32 111.508 175.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 91.8 p -61.53 -21.11 63.97 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.882 0.372 . . . . 71.32 111.431 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -87.63 9.34 21.65 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.252 0.464 . . . . 71.21 112.252 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -78.4 174.99 10.7 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.644 0.735 . . . . 64.45 112.145 178.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.45 13.99 22.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.412 -0.813 . . . . 64.24 111.097 -177.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . 0.483 HG21 HD13 ' B' ' 51' ' ' ILE . 4.6 t -135.24 169.42 17.5 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.966 0.413 . . . . 65.4 112.01 -174.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 16' ' ' ASN . 22.3 m120 -97.4 120.01 36.99 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.561 0.578 . . . . 75.23 112.561 -174.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 59.8 mt -63.51 95.98 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 115.88 -0.6 . . . . 74.33 111.359 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -77.5 -28.23 52.08 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.228 0.537 . . . . 73.11 111.306 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 69.3 m -156.43 132.16 9.6 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.859 -0.61 . . . . 64.14 110.447 175.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.778 HD11 ' SG ' ' B' ' 47' ' ' CYS . 10.6 tp -135.33 120.87 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 120.9 0.381 . . . . 75.54 110.321 175.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.567 HG13 HG22 ' A' ' 37' ' ' VAL . 67.7 t -127.9 103.29 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.063 0.459 . . . . 74.02 111.221 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' A' ' 35' ' ' THR . 8.2 tt -110.8 119.44 39.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.462 -0.336 . . . . 74.42 110.149 177.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -123.22 128.14 49.59 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.094 0.473 . . . . 71.33 110.539 172.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -104.48 117.62 34.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 63.21 110.932 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.441 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -134.21 136.53 43.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.032 0.444 . . . . 50.3 111.343 -177.116 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 t70 38.63 69.54 0.26 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.23 1.012 . . . . 75.35 113.365 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.32 -4.7 24.64 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.048 0.779 . . . . 64.21 115.048 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.03 169.3 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 118.065 0.932 . . . . 54.34 111.002 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.546 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 45.0 p90 -140.06 163.08 33.65 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.794 0.33 . . . . 75.42 111.087 173.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.567 ' HB ' HG22 ' B' ' 11' ' ' VAL . 3.7 t -137.23 117.14 13.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.932 0.396 . . . . 73.32 111.136 171.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.778 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.4 t -100.83 113.24 25.99 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.035 -0.53 . . . . 51.43 111.036 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -97.6 107.63 20.17 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.383 -0.371 . . . . 75.22 111.135 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.513 HD13 HG21 ' B' ' 26' ' ' ILE . 52.5 tp -98.67 133.1 43.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.994 0.425 . . . . 63.34 112.042 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.535 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.4 mmm -125.73 111.41 14.89 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.425 -0.352 . . . . 65.34 110.975 175.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.483 HD13 HG21 ' B' ' 31' ' ' THR . 2.6 pp -140.34 159.09 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 120.832 0.349 . . . . 64.43 111.793 -176.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -90.2 137.57 32.24 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.881 0.372 . . . . 70.33 111.567 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 11.8 m -131.32 148.44 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 116.134 -0.484 . . . . 71.33 111.015 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.491 ' H ' ' HD2' ' B' ' 54' ' ' LYS . 0.0 OUTLIER -80.51 -23.18 40.26 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.439 0.638 . . . . 71.3 110.559 177.576 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -154.17 164.09 39.07 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.417 -0.81 . . . . 71.14 111.305 -173.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -72.55 -28.34 62.77 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.057 0.392 . . . . 71.15 112.057 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.48 -42.27 82.3 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.159 0.504 . . . . 64.11 110.764 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.31 -50.8 70.4 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.977 -0.556 . . . . 70.23 110.714 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.465 HD13 ' HB1' ' B' ' 6' ' ' ALA . 49.6 tp -58.94 -46.85 87.0 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.94 -0.573 . . . . 74.23 111.643 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 51.2 p -66.68 -27.63 67.81 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.127 0.417 . . . . 62.3 112.127 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 88.3 m -73.16 -41.4 63.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.873 0.368 . . . . 73.11 110.861 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 86.5 mt -58.28 -36.56 73.49 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.848 0.356 . . . . 72.41 111.333 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.451 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 65.6 mtt -52.29 -53.67 41.2 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.189 -0.46 . . . . 50.43 110.86 175.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -54.99 -51.85 64.93 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.142 -0.481 . . . . 70.13 110.989 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -51.74 -34.42 39.07 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.761 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.564 HD13 HD11 ' B' ' 10' ' ' ILE . 44.2 mt -82.84 -30.0 29.01 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.133 0.492 . . . . 74.05 111.644 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.46 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 97.1 mtt180 -76.45 -7.06 54.3 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.411 0.523 . . . . 74.04 112.411 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -70.48 -19.22 62.96 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.757 0.313 . . . . 72.34 110.84 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.7 t -81.92 107.77 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-O 120.95 0.405 . . . . 72.14 110.11 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -63.29 -13.21 35.9 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.558 0.577 . . . . 64.31 112.558 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.99 -22.83 70.58 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.361 -0.447 . . . . 22.11 113.373 175.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -86.34 137.85 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 122.328 -0.513 . . . . 70.35 110.93 177.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.5 -20.54 11.24 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.477 0.547 . . . . 75.32 112.477 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.602 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.8 p -129.76 124.25 32.99 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.175 0.512 . . . . 74.45 112.021 178.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.46 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 47.9 t -135.35 104.26 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 109.138 -0.69 . . . . 44.03 109.138 171.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -123.27 164.52 18.61 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.935 0.717 . . . . 74.3 112.935 -168.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -94.53 126.32 39.74 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.696 -0.684 . . . . 53.34 111.24 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.29 115.37 22.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.818 0.342 . . . . 74.31 111.283 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 43.3 t -86.1 -62.99 1.39 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.024 0.44 . . . . 65.35 111.396 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -73.82 105.9 5.31 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.947 0.403 . . . . 75.54 110.594 177.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 49.8 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.295 0.569 . . . . 72.52 112.025 -176.656 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.401 ' HZ ' ' HA ' ' A' ' 56' ' ' THR . 54.0 p90 . . . . . 0 C--O 1.236 0.378 0 CA-C-O 121.156 0.503 . . . . 73.51 110.873 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 tp -79.99 105.18 11.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.445 0.64 . . . . 74.25 110.806 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.54 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -93.88 129.95 40.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.504 -0.771 . . . . 51.42 111.898 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' HA3' ' HB2' ' A' ' 78' ' ' LEU . . . -111.16 149.3 17.89 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 121.289 -0.481 . . . . 45.2 112.725 177.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.632 HD12 HD23 ' A' ' 49' ' ' LEU . 38.2 mt -134.3 137.93 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.853 0.326 . . . . 55.43 111.164 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.484 ' HB2' HD21 ' A' ' 78' ' ' LEU . 33.0 ttt180 -114.14 122.68 47.58 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.713 -0.221 . . . . 73.42 110.899 176.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.708 HD11 HD13 ' A' ' 66' ' ' LEU . 24.4 mt -118.46 116.85 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 116.682 -0.235 . . . . 65.22 111.114 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.532 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 87.9 t -119.15 118.1 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 121.518 0.675 . . . . 53.21 111.668 176.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.26 165.61 25.97 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 115.488 -0.778 . . . . 54.11 112.203 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -71.68 138.79 48.86 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 121.206 0.527 . . . . 73.14 112.362 -177.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.1 90.26 0.09 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.121 -0.49 . . . . 64.33 111.872 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.639 ' HB2' ' HG3' ' A' ' 18' ' ' MET . 10.5 mmmm -96.53 -177.52 3.96 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.712 0.768 . . . . 74.35 112.14 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -42.82 -29.49 0.32 Allowed 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.387 1.254 . . . . 74.3 114.387 178.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.12 42.28 0.16 Allowed Glycine 0 CA--C 1.529 0.962 0 C-N-CA 120.198 -1.001 . . . . 41.41 114.341 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.639 ' HG3' ' HB2' ' A' ' 15' ' ' LYS . 45.5 mtp -68.62 -37.29 79.64 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.928 -0.748 . . . . 73.21 112.401 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 p -60.81 -35.93 77.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.778 0.323 . . . . 70.44 111.328 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -69.02 -48.73 62.26 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.139 0.495 . . . . 75.22 110.72 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.514 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.8 pt20 -66.03 -36.26 82.76 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.074 -0.512 . . . . 72.41 111.552 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.443 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 11.4 mm -63.07 -52.96 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 111.703 0.26 . . . . 74.1 111.703 -178.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.5 m -71.4 -27.03 63.03 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.157 0.503 . . . . 75.25 110.205 176.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.99 -44.35 97.29 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-N 116.117 -0.492 . . . . 50.32 112.568 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 21' ' ' GLN . 88.7 t -62.86 -34.62 67.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 122.24 -0.565 . . . . 73.24 110.445 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.462 HG22 HD11 ' A' ' 33' ' ' ILE . 73.7 mt -65.93 -39.04 83.5 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.084 -0.507 . . . . 73.42 111.49 175.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.6 p -68.79 -20.56 64.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.269 0.557 . . . . 72.25 110.74 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HD2' ' HA ' ' A' ' 25' ' ' VAL . 62.7 mttm -73.58 -16.66 61.24 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.993 -0.548 . . . . 61.31 111.796 174.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -66.06 147.85 52.71 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.388 0.613 . . . . 65.52 112.269 -178.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -72.48 -22.88 60.99 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.728 -0.669 . . . . 72.14 111.361 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.9 t -83.16 161.36 21.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.357 -0.383 . . . . 72.12 110.769 175.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.627 ' HA ' HD22 ' B' ' 20' ' ' ASN . 2.7 m120 -106.97 137.25 45.39 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.377 0.608 . . . . 64.11 112.44 -178.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.462 HD11 HG22 ' A' ' 26' ' ' ILE . 3.0 mp -61.7 109.26 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.203 -0.908 . . . . 64.22 111.502 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 34' ' ' ARG . 10.7 mmt180 -82.6 -37.75 24.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.613 0.72 . . . . 73.32 109.904 175.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.571 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 13.3 m -155.49 145.34 21.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.159 -0.928 . . . . 54.42 109.417 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.404 HD12 HD13 ' A' ' 49' ' ' LEU . 18.1 tt -154.13 133.62 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.199 0.523 . . . . 65.01 111.996 174.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.441 HG13 HG22 ' B' ' 37' ' ' VAL . 60.4 t -132.87 104.58 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.904 -0.589 . . . . 62.44 111.022 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.646 ' HB3' HG22 ' B' ' 36' ' ' ILE . 6.5 tt -105.36 116.59 32.2 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.209 -0.663 . . . . 53.14 109.209 175.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.405 ' ND2' HG23 ' A' ' 46' ' ' THR . 0.2 OUTLIER -132.18 125.38 31.06 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.234 0.54 . . . . 73.15 111.562 177.773 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.575 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.31 135.51 41.64 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.714 -0.675 . . . . 74.14 111.845 -178.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.653 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -113.59 -137.08 0.37 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.626 -0.715 . . . . 62.32 110.814 -178.699 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.48 87.0 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.6 0.593 . . . . 75.25 112.6 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.93 2.82 48.59 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 114.754 0.662 . . . . 41.44 114.754 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.602 ' HB ' ' HE3' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -136.87 161.01 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 117.535 0.668 . . . . 74.11 110.617 179.11 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 42.3 p90 -131.61 150.97 51.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.719 0.295 . . . . 74.23 111.205 176.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 3.2 t -124.17 113.65 18.61 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.041 0.448 . . . . 73.43 110.54 172.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.421 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 52.4 t -93.5 105.24 17.32 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.103 -0.499 . . . . 45.2 111.285 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -89.11 105.27 17.68 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.556 -0.293 . . . . 51.33 110.858 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.632 HD23 HD12 ' A' ' 8' ' ' ILE . 55.6 tp -99.04 134.37 41.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.767 0.318 . . . . 75.32 111.841 -179.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.571 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 67.5 mmm -127.08 112.92 15.75 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.781 0.324 . . . . 74.01 111.318 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 32' ' ' ASN . 2.5 pp -141.88 161.72 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-N 116.421 -0.354 . . . . 70.51 111.427 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -95.56 133.42 39.61 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.127 0.489 . . . . 73.32 112.036 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.6 m -131.3 142.98 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 116.081 -0.508 . . . . 74.03 111.006 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.635 ' H ' ' HD3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -86.41 -12.24 49.71 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.759 0.314 . . . . 74.01 111.84 174.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.52 ' HB2' ' HB3' ' A' ' 58' ' ' LYS . 11.9 m120 -133.14 140.94 47.88 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 122.02 -0.425 . . . . 61.34 111.684 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.401 ' HA ' ' HZ ' ' A' ' 4' ' ' PHE . 69.8 p -64.13 -39.13 93.37 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.469 0.652 . . . . 75.25 110.399 171.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.71 -41.73 95.8 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.33 -0.85 . . . . 64.1 110.484 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 55' ' ' ASN . 40.5 tptt -57.34 -33.15 67.45 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.271 -0.877 . . . . 74.33 111.322 175.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.54 HD13 ' HB1' ' A' ' 6' ' ' ALA . 40.4 tp -72.7 -47.82 43.97 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 120.699 0.285 . . . . 62.32 111.694 175.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -58.53 -32.98 69.37 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.734 0.302 . . . . 63.33 110.963 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.547 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 91.6 m -56.04 -45.56 79.16 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.212 -0.449 . . . . 53.43 111.248 175.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.37 -48.39 78.11 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.384 -0.371 . . . . 74.22 111.594 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.496 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 75.9 mtm -57.83 -39.16 76.99 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.757 0.313 . . . . 73.34 111.115 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.45 -45.95 90.13 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.963 0.411 . . . . 65.24 110.929 174.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 61' ' ' THR . 29.8 mtpp -57.43 -36.86 71.9 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.082 -0.508 . . . . 71.22 111.498 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.708 HD13 HD11 ' A' ' 10' ' ' ILE . 42.4 mt -77.22 -27.96 53.59 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.161 -0.472 . . . . 54.04 111.9 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 63' ' ' MET . 98.4 mtt180 -71.47 -7.28 46.41 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.277 0.473 . . . . 62.14 112.277 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -72.69 -10.06 59.35 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 111.868 0.322 . . . . 75.31 111.868 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.2 t -85.52 113.53 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.174 0.511 . . . . 74.23 111.735 -177.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -54.97 -30.57 59.42 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.084 0.772 . . . . 74.43 113.084 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.27 -17.27 79.64 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.103 -0.57 . . . . 73.3 113.989 -177.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 99.6 t -86.58 146.7 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 117.294 0.547 . . . . 64.35 111.304 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -125.57 -15.38 6.09 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.613 0.598 . . . . 74.52 112.613 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.532 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 2.9 p -130.97 122.98 27.84 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.12 0.486 . . . . 60.24 111.618 175.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.412 ' HB ' ' HE ' ' A' ' 67' ' ' ARG . 41.0 t -137.18 104.91 3.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 109.453 -0.573 . . . . 72.41 109.453 172.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.409 ' HG3' ' HB3' ' A' ' 9' ' ' ARG . 10.9 pt-20 -134.87 163.35 30.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.202 -0.454 . . . . 60.1 111.862 -171.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -85.01 145.0 27.92 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.329 0.585 . . . . 74.03 112.22 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 9' ' ' ARG . 93.6 mt -100.54 111.53 23.79 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.923 -0.581 . . . . 75.54 110.537 172.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.6 p -92.81 -58.76 2.24 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.051 0.453 . . . . 54.21 111.86 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -69.73 100.66 1.53 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.287 0.565 . . . . 74.4 111.908 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.6 mt . . . . . 0 CA--C 1.539 0.55 0 CA-C-N 116.069 -0.514 . . . . 74.43 111.571 -178.71 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.506 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 2.1 p-10 . . . . . 0 CA--C 1.541 0.626 0 CA-C-O 121.124 0.488 . . . . 72.15 112.043 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.404 ' HE1' HH12 ' B' ' 77' ' ' ARG . 52.0 p90 -131.4 158.63 40.26 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.608 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 50.5 tp -77.55 105.14 8.51 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.216 0.531 . . . . 62.45 111.067 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.17 133.28 47.29 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.069 -0.514 . . . . 72.5 111.831 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.02 144.26 15.86 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.018 -0.61 . . . . 61.14 113.095 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.499 HD12 HD23 ' B' ' 49' ' ' LEU . 37.3 mt -125.93 142.01 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 122.451 0.3 . . . . 63.14 110.401 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.499 ' HB3' ' HG3' ' B' ' 76' ' ' GLU . 0.0 OUTLIER -120.64 118.24 29.63 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.907 0.384 . . . . 75.34 110.252 -177.163 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.546 ' O ' ' HA ' ' B' ' 46' ' ' THR . 40.3 mt -115.65 117.61 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 116.344 -0.389 . . . . 72.42 111.544 -176.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.553 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 53.6 t -117.55 109.89 29.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.453 0.644 . . . . 74.4 110.605 172.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.86 161.58 23.78 Favored Glycine 0 CA--C 1.522 0.49 0 CA-C-N 115.575 -0.738 . . . . 51.45 112.258 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -69.68 143.3 53.2 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.391 0.615 . . . . 73.44 112.205 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.35 91.02 0.53 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.952 -0.567 . . . . 74.03 111.435 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.56 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 23.8 mmtm -89.69 -178.94 5.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.607 0.718 . . . . 62.32 111.957 170.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -66.79 -21.29 66.05 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.953 -1.021 . . . . 74.35 112.288 178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.453 ' HA2' ' ND2' ' A' ' 32' ' ' ASN . . . -151.86 26.42 0.92 Allowed Glycine 0 CA--C 1.529 0.943 0 C-N-CA 120.559 -0.829 . . . . 60.43 114.28 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.56 ' HG2' ' HB2' ' B' ' 15' ' ' LYS . 38.7 mmm -74.33 -50.19 19.82 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.942 -0.74 . . . . 74.34 112.267 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.0 p -55.2 -39.7 69.93 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.941 0.401 . . . . 55.5 111.777 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.627 HD22 ' HA ' ' A' ' 32' ' ' ASN . 9.8 t-20 -76.04 -44.81 37.43 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.883 0.373 . . . . 73.25 110.957 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 7.9 pt20 -65.77 -34.63 78.61 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.681 0.277 . . . . 63.41 111.66 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' B' ' 22' ' ' ILE . 9.4 mm -64.96 -53.56 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 111.916 0.339 . . . . 71.34 111.916 -178.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.6 m -70.88 -27.3 63.72 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.099 0.476 . . . . 64.22 110.418 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.486 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.41 -52.46 53.07 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 116.071 -0.513 . . . . 75.03 112.303 171.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 50.1 t -56.38 -40.47 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.041 0.448 . . . . 64.42 110.967 174.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.401 HG21 HD13 ' B' ' 49' ' ' LEU . 71.1 mt -59.53 -46.36 93.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 115.997 -0.547 . . . . 72.23 112.193 177.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 89.7 p -63.01 -22.26 66.73 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 120.911 0.386 . . . . 51.3 111.544 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.556 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 7.6 mtpm? -73.32 -13.8 61.18 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.279 0.474 . . . . 65.54 112.279 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -66.47 154.78 39.36 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.599 0.714 . . . . 75.23 112.741 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -67.65 -37.12 81.97 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.101 -0.954 . . . . 42.03 111.733 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.5 t -74.77 151.14 39.15 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.966 -0.561 . . . . 64.43 111.79 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -83.22 123.49 29.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.836 0.35 . . . . 42.12 110.97 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.504 ' HA ' HG22 ' B' ' 51' ' ' ILE . 67.2 mt -66.15 95.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.088 0.47 . . . . 71.12 111.099 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.57 -31.76 65.49 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.974 0.416 . . . . 61.51 110.747 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 53.4 m -159.83 139.06 11.03 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.051 -0.522 . . . . 64.33 110.964 175.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.646 HG22 ' HB3' ' A' ' 38' ' ' LEU . 10.6 tp -138.19 131.75 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 120.735 0.302 . . . . 53.23 110.51 174.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.441 HG22 HG13 ' A' ' 37' ' ' VAL . 94.2 t -131.27 108.5 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-O 120.762 0.315 . . . . 72.23 111.455 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tt -114.42 116.18 28.48 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.812 0.339 . . . . 75.04 110.305 177.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 5.0 p-10 -135.02 128.37 32.21 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.041 0.448 . . . . 74.32 111.467 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.524 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -108.86 134.95 50.86 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.105 0.479 . . . . 72.22 111.897 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.39 152.92 33.76 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.013 -0.54 . . . . 74.23 110.677 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 57.8 20.66 6.72 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.948 0.722 . . . . 63.33 112.948 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.83 11.12 65.99 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 120.947 -0.644 . . . . 63.13 113.394 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mt -134.63 158.5 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 122.716 0.406 . . . . 74.32 110.163 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.524 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 39.4 p90 -128.5 143.01 50.91 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.888 -0.507 . . . . 72.31 111.213 178.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.546 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.1 t -118.84 99.94 7.07 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.315 0.579 . . . . 60.44 111.431 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.604 ' SG ' HD11 ' B' ' 36' ' ' ILE . 44.2 t -95.18 119.18 33.24 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.31 -0.404 . . . . 71.52 111.28 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.474 ' O ' HD12 ' B' ' 36' ' ' ILE . 52.1 m-20 -103.23 116.34 32.28 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.679 0.276 . . . . 61.13 110.808 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.499 HD23 HD12 ' B' ' 8' ' ' ILE . 42.6 tp -98.83 125.65 44.26 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.062 0.458 . . . . 65.14 111.675 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.545 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 58.8 mmm -117.15 107.36 14.38 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.305 -0.407 . . . . 63.12 111.038 178.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -140.03 177.03 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.235 -0.439 . . . . 74.32 111.829 -176.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -108.52 129.65 55.29 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.084 0.469 . . . . 73.11 111.863 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 15.3 m -124.79 142.8 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 116.299 -0.41 . . . . 72.21 111.402 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.507 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 19.0 ptpt -70.18 -29.1 65.89 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.249 0.462 . . . . 74.42 112.249 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.507 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 12.3 p30 -156.74 176.81 12.25 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.121 0.486 . . . . 60.23 111.631 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 69.7 p -72.24 -33.37 67.49 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.441 0.534 . . . . 64.53 112.441 -176.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.32 -37.41 87.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.677 0.751 . . . . 61.41 110.066 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -57.87 -43.62 86.11 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.24 -0.891 . . . . 61.53 110.902 172.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.433 ' CD2' HH11 ' B' ' 77' ' ' ARG . 64.4 tp -65.77 -47.35 75.48 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.189 -0.459 . . . . 65.32 111.829 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 67.5 p -61.61 -27.46 68.67 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 111.723 0.268 . . . . 75.11 111.723 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 84.9 m -60.27 -48.85 79.98 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.094 0.473 . . . . 73.32 111.02 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 68.8 mt -58.54 -37.61 76.05 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.241 -0.436 . . . . 75.25 111.005 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.449 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 62.9 mtt -53.94 -50.25 66.87 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.27 -0.423 . . . . 63.44 110.797 176.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.517 ' O ' ' HE3' ' B' ' 68' ' ' LYS . 18.0 t70 -57.07 -47.67 80.45 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.493 -0.321 . . . . 72.01 110.768 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -53.01 -41.52 64.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.105 0.478 . . . . 74.34 111.887 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.52 HD13 HD11 ' B' ' 10' ' ' ILE . 43.1 mt -76.0 -26.49 56.75 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.065 -0.516 . . . . 71.4 111.502 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.3 mtt180 -78.8 -7.86 58.24 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.375 -0.375 . . . . 72.12 111.953 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' B' ' 68' ' ' LYS . 9.4 mmpt? -72.12 -25.96 61.94 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.864 0.364 . . . . 74.34 111.444 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.518 HG12 ' H ' ' B' ' 71' ' ' GLY . 46.1 t -78.7 125.34 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 121.42 0.629 . . . . 72.42 112.103 -174.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -56.53 -31.7 64.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.436 -0.802 . . . . 72.31 112.685 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.518 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -73.11 -24.32 75.95 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 114.523 0.569 . . . . 64.24 114.523 -177.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.8 139.78 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 117.871 0.835 . . . . 74.21 111.688 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.418 ' CE2' HG12 ' B' ' 11' ' ' VAL . 0.5 OUTLIER -121.0 -17.62 7.76 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.457 0.539 . . . . 75.14 112.457 176.877 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.553 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 4.2 p -128.98 119.69 24.75 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.016 0.436 . . . . 65.14 112.035 176.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.421 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 47.5 t -132.05 105.29 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.825 -0.435 . . . . 52.53 109.825 172.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.499 ' HG3' ' HB3' ' B' ' 9' ' ' ARG . 7.8 pt-20 -133.49 165.87 23.88 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.084 -0.507 . . . . 63.54 112.027 -170.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.433 HH11 ' CD2' ' B' ' 59' ' ' LEU . 22.1 ttt85 -91.07 130.63 36.96 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.321 0.489 . . . . 65.1 112.321 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.424 ' HG ' ' HB2' ' B' ' 9' ' ' ARG . 96.9 mt -91.18 106.39 18.47 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.167 -0.47 . . . . 54.55 110.482 173.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 47.1 t -89.75 -37.26 14.66 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.011 0.434 . . . . 62.23 111.367 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -89.1 97.73 11.36 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.999 0.428 . . . . 70.11 110.506 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 mt . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 112.745 0.646 . . . . 62.11 112.745 -172.786 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 . . . . . 0 C--O 1.235 0.329 0 CA-C-O 120.958 0.408 . . . . 73.54 110.173 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.5 tp -78.81 103.01 8.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.555 0.693 . . . . 65.1 110.772 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.479 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -94.0 132.71 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.473 -0.785 . . . . 72.43 111.697 -178.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.24 146.06 17.69 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.176 -0.535 . . . . 62.54 112.771 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.421 HD12 HD23 ' A' ' 49' ' ' LEU . 55.2 mt -132.58 132.61 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 122.675 -0.309 . . . . 71.1 110.88 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.525 ' HB2' HD21 ' A' ' 78' ' ' LEU . 56.4 ttt180 -109.45 124.39 50.96 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.958 0.409 . . . . 74.55 110.837 174.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.577 ' HB ' ' HB3' ' A' ' 47' ' ' CYS . 37.9 mt -113.38 116.82 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.896 -0.593 . . . . 72.22 110.728 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.625 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 59.9 t -118.68 109.9 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 121.782 0.801 . . . . 61.32 111.062 175.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.33 164.28 23.88 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.213 -0.903 . . . . 71.44 111.813 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.98 140.16 48.98 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.398 0.618 . . . . 74.45 112.477 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -71.45 103.74 3.02 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.735 -0.666 . . . . 73.02 110.644 177.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 18' ' ' MET . 0.0 OUTLIER -163.36 147.5 10.81 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.361 -0.381 . . . . 72.44 111.39 -178.663 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 52.37 19.26 1.09 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.881 1.067 . . . . 54.51 113.881 168.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.54 34.98 27.04 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 120.88 -0.676 . . . . 74.43 113.192 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.515 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 52.0 mmm -55.89 -49.04 74.49 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.804 0.441 . . . . 61.02 112.017 178.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.9 p -50.58 -37.71 41.37 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.118 0.485 . . . . 63.21 111.735 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.566 ' HA ' HD12 ' B' ' 33' ' ' ILE . 26.0 t-20 -75.46 -46.8 30.37 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.987 -0.551 . . . . 52.23 111.039 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.515 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.5 pt20 -66.15 -38.19 87.51 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.854 0.359 . . . . 74.21 111.299 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 22' ' ' ILE . 13.8 mm -63.62 -53.81 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 112.241 0.46 . . . . 74.43 112.241 -176.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.4 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.0 m -68.8 -27.57 65.98 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.367 0.603 . . . . 72.43 110.284 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.95 -46.61 93.74 Favored Glycine 0 CA--C 1.528 0.867 0 CA-C-N 115.803 -0.635 . . . . 64.23 112.608 173.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 21' ' ' GLN . 95.5 t -64.3 -37.21 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 122.569 -0.371 . . . . 64.5 111.299 176.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.451 HG21 HD13 ' A' ' 49' ' ' LEU . 68.0 mt -55.21 -44.68 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 120.998 0.428 . . . . 75.1 112.034 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' B' ' 20' ' ' ASN . 86.3 p -61.97 -21.72 65.05 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.168 -0.332 . . . . 73.25 111.561 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -85.03 11.43 9.58 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.071 0.397 . . . . 74.23 112.071 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -82.41 162.25 22.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.362 0.601 . . . . 71.11 112.401 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.77 29.6 0.89 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.801 -0.636 . . . . 71.43 111.518 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 t -138.21 149.03 45.41 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.952 0.406 . . . . 63.44 111.418 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -80.61 123.01 27.79 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.33 -0.396 . . . . 74.13 111.344 -175.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.524 ' HA ' HG22 ' A' ' 51' ' ' ILE . 72.5 mt -68.61 104.48 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.819 0.342 . . . . 55.42 111.496 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -31.18 22.04 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.845 0.355 . . . . 74.31 110.776 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.634 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 34.5 m -156.93 133.38 9.93 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.491 -0.322 . . . . 43.2 111.688 175.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.699 HD11 ' SG ' ' A' ' 47' ' ' CYS . 9.8 tp -135.53 130.05 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 110.177 -0.305 . . . . 74.11 110.177 172.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.7 t -136.0 104.75 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 120.971 0.415 . . . . 73.33 111.18 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.641 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.8 tt -113.92 133.03 55.71 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.59 -0.277 . . . . 72.21 110.474 178.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -142.29 138.53 31.41 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.795 0.331 . . . . 71.22 110.976 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -101.54 118.6 37.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.086 0.469 . . . . 61.41 111.591 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.09 157.85 43.74 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.2 -0.455 . . . . 61.23 110.604 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 64.23 13.36 7.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.918 0.487 . . . . 44.02 112.119 -177.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.83 11.11 77.63 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.995 -0.622 . . . . 55.52 112.466 -174.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -131.95 173.0 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.297 -0.631 . . . . 70.45 109.297 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.495 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 40.3 p90 -131.02 146.94 52.56 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.72 -0.612 . . . . 75.14 111.166 173.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.3 t -121.33 104.74 9.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.15 0.5 . . . . 75.23 110.914 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.699 ' SG ' HD11 ' A' ' 36' ' ' ILE . 46.2 t -90.83 114.39 26.79 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.093 -0.503 . . . . 53.11 111.189 178.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.421 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.5 m-20 -100.34 105.42 16.94 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.777 0.323 . . . . 65.41 111.069 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 26' ' ' ILE . 53.2 tp -98.24 135.7 39.49 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.012 0.434 . . . . 70.15 111.873 -178.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.588 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 57.0 mmm -129.9 110.92 12.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 116.25 -0.432 . . . . 71.33 110.923 177.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -141.87 159.48 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 116.179 -0.464 . . . . 73.22 111.732 -177.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -92.7 130.97 38.16 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.085 0.469 . . . . 43.24 111.39 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.4 m -120.68 158.56 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.212 0.53 . . . . 63.21 111.578 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.531 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.0 ptmt -88.13 -7.83 56.34 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.138 -0.483 . . . . 73.23 112.224 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.531 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.8 p30 -177.82 173.07 1.62 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.873 0.469 . . . . 74.42 111.076 175.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -69.76 -39.81 76.47 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.525 0.565 . . . . 71.31 112.525 -176.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.16 -35.37 80.56 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.803 0.811 . . . . 63.44 110.076 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 19.4 tptp -57.93 -33.06 68.4 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.14 -0.937 . . . . 73.52 111.023 173.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.479 HD13 ' HB1' ' A' ' 6' ' ' ALA . 58.9 tp -77.42 -47.99 18.35 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.08 -0.509 . . . . 75.44 111.474 176.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.0 p -60.67 -28.39 68.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.948 0.404 . . . . 73.41 111.771 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.7 m -61.78 -41.58 97.9 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.021 0.438 . . . . 74.32 110.951 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.4 -36.53 82.61 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.389 -0.369 . . . . 74.5 110.895 177.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 59.6 mtt -57.11 -48.23 79.15 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.011 0.434 . . . . 61.41 110.694 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -58.98 -45.66 90.03 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.816 -0.629 . . . . 64.13 111.314 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -55.89 -46.64 78.3 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.03 -0.532 . . . . 62.1 111.651 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.577 HD13 HD11 ' A' ' 10' ' ' ILE . 41.6 mt -72.3 -28.29 63.0 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.267 0.556 . . . . 64.33 111.495 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -74.83 -7.42 53.37 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.85 -0.613 . . . . 75.13 112.076 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -71.62 -17.13 62.29 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.092 -0.38 . . . . 71.05 111.945 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 71' ' ' GLY . 59.9 t -84.09 119.68 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.828 0.347 . . . . 70.4 111.611 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -56.64 -32.13 65.04 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.029 0.381 . . . . 71.35 112.029 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.411 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -71.01 -18.54 76.44 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.365 -0.445 . . . . 71.24 114.116 -177.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.75 120.78 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 117.226 0.513 . . . . 65.22 111.244 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -106.32 -5.85 18.78 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.535 0.569 . . . . 61.34 112.535 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.625 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 8.4 p -137.51 120.65 16.73 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.018 0.437 . . . . 74.32 111.75 174.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.3 t -127.75 103.96 11.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.293 -0.632 . . . . 72.43 109.293 170.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -130.12 167.18 18.75 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.048 0.451 . . . . 71.22 112.111 -172.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -94.87 139.79 30.83 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.278 0.561 . . . . 72.42 111.518 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 9' ' ' ARG . 94.7 mt -89.04 102.05 14.7 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.929 -0.578 . . . . 74.33 110.131 171.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.1 p -77.95 -63.43 1.39 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.57 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.67 102.94 5.55 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.11 0.481 . . . . 74.13 111.129 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.6 mt . . . . . 0 CA--C 1.536 0.407 0 CA-C-O 121.149 0.5 . . . . 62.33 111.943 -177.351 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.512 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 4.8 m-20 . . . . . 0 CA--C 1.538 0.491 0 CA-C-O 120.905 0.383 . . . . 55.2 111.212 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -117.47 157.27 26.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 65.41 109.934 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 43.1 tp -75.53 102.59 5.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.053 0.454 . . . . 73.02 110.84 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.0 158.39 15.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.099 0.476 . . . . 62.11 111.306 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.37 153.52 21.99 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.977 -0.63 . . . . 73.32 112.741 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 57.9 mt -137.45 140.85 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 122.587 0.355 . . . . 71.24 110.646 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.552 ' HB2' HD21 ' B' ' 78' ' ' LEU . 66.0 ttt180 -118.2 123.26 45.05 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.942 0.401 . . . . 70.42 110.77 175.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.633 HD11 HD13 ' B' ' 66' ' ' LEU . 48.7 mt -113.14 116.42 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.045 -0.525 . . . . 75.33 110.847 -179.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.618 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 92.2 t -114.38 116.86 53.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.473 0.654 . . . . 75.42 110.882 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.05 167.91 25.52 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.632 -0.713 . . . . 44.32 112.935 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.23 121.43 12.54 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 121.35 0.595 . . . . 72.03 112.229 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -68.78 92.33 0.48 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.146 0.498 . . . . 64.33 111.747 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -112.25 168.49 9.58 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.918 0.866 . . . . 75.21 113.32 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.411 ' H ' ' ND2' ' B' ' 16' ' ' ASN . 6.6 p30 -75.47 41.19 0.18 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.34 -1.3 . . . . 75.34 112.892 -175.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.13 -27.71 0.06 OUTLIER Glycine 0 CA--C 1.525 0.68 0 CA-C-N 115.849 -0.614 . . . . 74.41 112.094 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.463 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 58.1 mmm -56.64 -50.86 70.8 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.291 0.478 . . . . 61.44 112.291 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 70.0 p -60.18 -31.99 70.64 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.904 0.383 . . . . 75.11 111.456 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.432 ' ND2' HG13 ' A' ' 33' ' ' ILE . 14.4 m120 -74.27 -48.2 30.16 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.16 0.505 . . . . 73.24 110.878 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.488 ' O ' HG23 ' B' ' 25' ' ' VAL . 9.7 pt20 -65.39 -36.05 82.81 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.086 -0.506 . . . . 51.3 111.621 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.412 HG13 ' HZ ' ' B' ' 45' ' ' PHE . 10.9 mm -62.53 -53.58 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 112.333 0.494 . . . . 62.14 112.333 -176.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 3.5 m -70.95 -27.41 63.72 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.39 -0.524 . . . . 72.01 110.261 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.422 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.18 -48.26 86.8 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-N 116.142 -0.481 . . . . 74.24 112.562 173.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 21' ' ' GLN . 94.5 t -59.57 -38.16 74.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 122.464 -0.433 . . . . 72.4 110.993 175.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.431 HG21 HD13 ' B' ' 49' ' ' LEU . 72.0 mt -60.02 -41.58 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 116.279 -0.419 . . . . 75.23 112.003 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 52.3 p -65.21 -20.86 66.63 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.992 0.425 . . . . 75.22 111.334 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 28.0 mtpp -76.84 -8.24 56.96 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.186 0.439 . . . . 74.35 112.186 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 22.8 m-30 -68.92 179.26 1.88 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.517 0.675 . . . . 71.21 112.187 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -109.1 5.07 23.7 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.781 -0.645 . . . . 74.22 112.158 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.0 t -106.73 166.88 10.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.593 0.59 . . . . 53.2 112.593 -174.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -94.85 122.18 37.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.928 -0.578 . . . . 63.22 111.947 -176.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 20' ' ' ASN . 60.4 mt -76.14 126.6 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.092 -0.504 . . . . 74.0 111.847 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' B' ' 34' ' ' ARG . 35.1 mmt180 -105.1 -28.93 10.72 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.041 0.448 . . . . 74.5 111.018 174.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.53 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 95.5 m -156.92 132.87 9.57 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.143 -0.48 . . . . 73.42 111.425 176.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.641 HG22 ' HB3' ' A' ' 38' ' ' LEU . 10.6 tp -131.94 132.48 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.917 0.389 . . . . 43.13 110.378 172.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 97.8 t -126.29 141.06 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.255 -0.43 . . . . 63.21 110.663 178.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.634 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.0 tt -145.09 116.61 8.08 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.576 -0.527 . . . . 70.12 109.576 171.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' B' ' 39' ' ' ASN . 3.6 p-10 -135.76 127.22 28.62 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.088 0.47 . . . . 75.31 111.542 178.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.551 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -102.78 133.92 47.03 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.212 0.53 . . . . 52.44 112.165 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -151.56 147.4 26.75 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.729 -0.668 . . . . 74.33 110.453 176.477 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.4 t70 64.1 20.34 12.15 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.164 0.507 . . . . 63.32 111.914 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.79 6.76 82.32 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.841 -0.695 . . . . 33.22 113.067 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mt -125.43 161.7 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 109.69 -0.485 . . . . 71.12 109.69 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.551 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 36.7 p90 -131.56 145.61 51.81 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.981 -0.449 . . . . 73.54 111.23 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.3 t -120.19 108.17 13.9 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.084 0.469 . . . . 63.11 111.446 176.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 48.4 t -96.58 116.46 29.14 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.41 -0.359 . . . . 63.3 111.313 177.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.407 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 2.5 m-20 -104.8 113.3 26.81 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.973 0.416 . . . . 73.33 111.205 -177.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.431 HD13 HG21 ' B' ' 26' ' ' ILE . 58.4 tp -98.3 134.21 41.63 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.228 -0.442 . . . . 62.24 111.844 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.429 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 67.6 mmm -124.03 110.55 14.9 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.812 0.339 . . . . 41.44 111.121 176.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -142.31 158.82 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 121.093 0.473 . . . . 72.2 111.993 -176.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -92.36 135.8 33.73 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 111.837 0.31 . . . . 75.44 111.837 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.512 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 3.6 m -136.61 146.79 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.723 0.297 . . . . 72.53 111.161 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -73.18 -17.84 61.33 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.578 0.584 . . . . 64.43 112.578 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.3 155.56 7.89 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.212 0.449 . . . . 74.25 112.212 -178.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -58.6 -25.03 62.21 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.851 0.686 . . . . 72.04 112.851 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.21 -41.0 92.11 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.755 0.788 . . . . 72.23 110.639 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -61.74 -38.94 89.8 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.995 -1.002 . . . . 71.23 111.123 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' B' ' 77' ' ' ARG . 57.0 tp -68.4 -45.24 73.22 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.059 -0.519 . . . . 74.23 111.583 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 71.9 p -65.41 -34.04 77.36 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.011 0.434 . . . . 74.12 111.682 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 85.2 m -62.56 -40.5 97.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.309 -0.405 . . . . 54.44 111.388 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.42 -38.85 92.74 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.608 -0.269 . . . . 70.23 111.676 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.476 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 57.9 mtt -51.25 -52.66 42.73 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.028 0.442 . . . . 70.21 110.714 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.532 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 27.3 t70 -54.35 -52.97 59.91 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.663 -0.698 . . . . 74.1 111.103 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -50.26 -39.16 44.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.108 0.48 . . . . 74.24 111.836 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.633 HD13 HD11 ' B' ' 10' ' ' ILE . 59.9 mt -79.6 -26.61 41.2 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.143 -0.48 . . . . 64.42 111.766 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.8 mtt180 -75.62 -11.03 59.93 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.45 -0.341 . . . . 73.14 111.755 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 13.1 mmmm -75.37 2.71 10.64 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.838 0.351 . . . . 75.21 111.905 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.401 HG12 ' H ' ' B' ' 71' ' ' GLY . 47.3 t -97.17 125.59 50.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 CA-C-O 120.776 0.322 . . . . 74.54 111.36 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -56.96 -30.5 64.11 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 112.894 0.701 . . . . 74.1 112.894 -175.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.401 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -86.48 -10.08 74.34 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.953 -0.641 . . . . 71.22 114.323 -174.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.9 t -97.22 135.82 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 117.614 0.707 . . . . 60.41 111.466 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -121.8 -10.26 8.73 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.484 0.55 . . . . 65.31 112.484 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.618 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.3 p -135.31 122.7 21.85 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.03 0.443 . . . . 54.4 111.471 175.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.404 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 44.1 t -135.82 104.19 4.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 116.277 -0.419 . . . . 74.44 110.034 171.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -123.73 168.93 12.04 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.5 -0.318 . . . . 71.44 111.121 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.419 ' HB2' HD21 ' B' ' 59' ' ' LEU . 13.3 ptt180 -98.81 136.43 38.85 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.425 0.631 . . . . 74.21 110.992 176.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' B' ' 9' ' ' ARG . 94.9 mt -79.59 91.64 5.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.929 -0.578 . . . . 72.5 110.619 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -72.14 -58.54 3.34 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.046 -0.524 . . . . 71.03 111.329 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.27 103.25 6.2 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.931 0.396 . . . . 74.24 110.763 178.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.248 0.547 . . . . 63.44 111.975 -177.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 6' ' ' ALA . 51.0 p90 . . . . . 0 C--O 1.236 0.342 0 CA-C-O 120.984 0.421 . . . . 55.03 110.976 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 50' ' ' MET . 51.0 tp -78.94 102.73 8.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.282 0.563 . . . . 62.45 110.977 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.507 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -93.65 150.02 20.75 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.945 -0.571 . . . . 71.31 111.702 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.28 143.61 14.46 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.018 -0.61 . . . . 51.22 113.622 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.1 mt -132.72 144.8 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 122.886 0.474 . . . . 61.22 110.043 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.537 ' HB2' HD21 ' A' ' 78' ' ' LEU . 62.9 ttt180 -121.89 133.39 54.86 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.659 -0.651 . . . . 75.31 111.3 175.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.481 ' HB ' ' HB3' ' A' ' 47' ' ' CYS . 19.8 mt -121.3 117.36 52.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 115.931 -0.577 . . . . 73.32 110.881 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.572 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 52.3 t -122.01 118.63 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 121.513 0.673 . . . . 74.02 111.227 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.42 158.88 27.79 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.46 -0.791 . . . . 41.44 112.779 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.04 128.08 35.4 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.078 0.466 . . . . 74.31 111.314 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.42 109.68 7.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.823 0.344 . . . . 65.41 111.174 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' A' ' 18' ' ' MET . 20.5 ptmt -149.24 128.77 13.09 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.36 0.504 . . . . 74.32 112.36 -176.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 56.33 26.49 10.65 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.889 1.07 . . . . 65.22 113.889 172.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.623 ' HA2' HD22 ' B' ' 32' ' ' ASN . . . 86.83 37.68 8.42 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 120.826 -0.702 . . . . 75.2 113.799 177.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.582 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 35.0 mtp -66.22 -42.13 89.13 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.359 0.503 . . . . 63.33 112.359 178.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.4 p -50.65 -29.76 11.84 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.906 0.384 . . . . 63.34 111.936 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.47 ' ND2' HG13 ' B' ' 33' ' ' ILE . 14.8 m120 -72.89 -48.15 39.77 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.084 0.469 . . . . 74.24 111.034 178.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 18' ' ' MET . 1.7 pt20 -66.06 -38.31 88.0 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.983 -0.553 . . . . 74.22 111.16 -177.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.531 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 22.3 mm -62.27 -53.76 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 112.43 0.53 . . . . 72.44 112.43 -175.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 m -72.09 -26.79 62.29 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.431 -0.508 . . . . 52.32 110.502 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.68 -45.81 95.07 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 120.88 -0.676 . . . . 62.2 112.147 172.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.538 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 89.4 t -62.35 -35.63 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.647 0.26 . . . . 74.23 111.476 176.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.572 HD12 HD22 ' A' ' 49' ' ' LEU . 48.7 mm -51.52 -43.11 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-O 121.284 0.564 . . . . 55.44 111.329 176.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 m -59.0 -32.62 69.87 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.945 -0.57 . . . . 73.3 111.518 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 25' ' ' VAL . 37.6 mtmt -86.58 18.29 3.42 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.974 -0.557 . . . . 73.52 112.361 -171.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 21.6 m-30 -90.05 -5.78 56.23 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 111.975 0.361 . . . . 74.34 111.975 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 67.86 1.97 2.9 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.521 0.563 . . . . 73.02 112.521 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 t -101.58 147.48 26.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.239 -0.288 . . . . 72.42 111.037 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -72.5 120.54 18.26 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.065 0.46 . . . . 73.23 111.55 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.528 ' HA ' HG22 ' A' ' 51' ' ' ILE . 79.1 mt -72.35 101.07 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 116.158 -0.474 . . . . 71.32 111.459 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -82.21 -33.57 29.3 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.911 0.386 . . . . 64.54 110.472 178.609 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.619 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 46.2 m -155.25 132.62 11.05 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.743 0.306 . . . . 72.01 111.753 176.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.704 HD11 ' SG ' ' A' ' 47' ' ' CYS . 9.8 tp -140.45 131.55 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 110.232 -0.285 . . . . 75.33 110.232 174.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.88 104.84 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 120.932 0.396 . . . . 74.14 111.785 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.661 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.0 tt -113.51 127.15 55.99 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 122.304 -0.248 . . . . 63.23 110.35 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -138.81 131.88 29.69 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.801 0.334 . . . . 75.33 110.97 173.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -97.79 104.56 16.6 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.25 0.548 . . . . 70.53 111.559 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' O ' ' HE3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -128.8 152.81 48.06 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.918 -0.583 . . . . 73.0 110.372 178.039 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 66.6 8.71 6.05 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.537 0.335 . . . . 74.34 111.502 -176.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.77 75.58 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 121.257 -0.497 . . . . 62.41 112.674 -173.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.7 mt -125.64 153.85 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.16 0.584 . . . . 73.32 110.241 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.544 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 39.8 p90 -113.84 147.1 38.98 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.63 -0.669 . . . . 75.03 111.489 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 t -122.66 100.33 6.86 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.202 0.525 . . . . 62.44 110.96 173.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.704 ' SG ' HD11 ' A' ' 36' ' ' ILE . 48.6 t -94.34 113.59 25.5 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.042 -0.526 . . . . 51.24 111.402 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.433 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.3 m-20 -100.89 112.06 24.41 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.769 0.319 . . . . 75.53 111.21 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.572 HD22 HD12 ' A' ' 26' ' ' ILE . 51.1 tp -98.74 134.28 41.87 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.224 -0.443 . . . . 60.45 112.147 -178.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.594 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 58.6 mmm -131.98 112.04 12.05 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.229 -0.442 . . . . 71.4 110.766 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.528 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -141.69 159.71 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 116.362 -0.381 . . . . 71.14 111.647 -176.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -92.72 145.82 24.12 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.026 0.441 . . . . 74.44 111.724 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 m -146.83 153.22 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 116.31 -0.404 . . . . 73.14 111.118 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.448 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -91.24 -9.28 45.82 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.003 0.371 . . . . 60.22 112.003 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -160.78 160.45 31.25 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.039 0.447 . . . . 74.52 111.737 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.9 p -72.36 -23.95 61.21 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.133 0.419 . . . . 72.51 112.133 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.83 -40.28 96.24 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.914 0.864 . . . . 75.35 109.837 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -59.49 -43.12 93.38 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.675 -1.148 . . . . 72.12 111.356 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.507 HD13 ' HB1' ' A' ' 6' ' ' ALA . 50.4 tp -65.28 -48.04 74.57 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.384 -0.371 . . . . 73.34 111.811 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.7 p -64.67 -28.35 69.55 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.864 0.364 . . . . 55.51 111.66 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.2 m -61.44 -42.41 98.72 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.154 0.502 . . . . 75.33 111.413 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.403 HD13 ' CD2' ' A' ' 29' ' ' PHE . 13.4 mt -64.65 -37.74 88.6 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.091 -178.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.487 ' HE3' ' HG ' ' A' ' 59' ' ' LEU . 51.8 mtt -56.74 -49.38 75.38 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.222 0.534 . . . . 75.12 110.805 176.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.412 ' O ' ' HE2' ' A' ' 68' ' ' LYS . 10.7 t70 -58.37 -44.92 89.05 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.576 -0.738 . . . . 43.12 110.728 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -58.21 -40.79 82.54 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.931 0.396 . . . . 73.31 111.827 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.465 HD13 HD11 ' A' ' 10' ' ' ILE . 44.7 mt -76.04 -31.92 59.08 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.064 0.459 . . . . 74.24 112.178 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -71.35 -7.76 49.26 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 112.648 0.61 . . . . 73.52 112.648 -174.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' HE2' ' O ' ' A' ' 64' ' ' ASP . 70.9 mmtt -72.68 -18.85 61.51 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.168 0.433 . . . . 72.34 112.168 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.1 t -77.06 121.27 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 112.209 0.448 . . . . 73.12 112.209 -173.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 71' ' ' GLY . 6.7 pt20 -54.62 -34.45 62.11 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.855 0.687 . . . . 73.22 112.855 -177.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.566 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -75.94 -22.25 74.66 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.146 -0.55 . . . . 75.15 113.816 -176.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.2 t -88.94 133.12 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 117.12 0.46 . . . . 65.52 111.396 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.62 -8.61 10.9 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.373 0.509 . . . . 73.23 112.373 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.572 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 6.2 p -133.64 118.74 18.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.173 0.511 . . . . 73.41 111.492 175.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.4 t -134.69 102.52 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.681 -0.488 . . . . 74.04 109.681 171.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -137.68 173.7 11.37 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.255 0.55 . . . . 71.45 111.873 -173.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -87.47 148.07 25.11 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.846 -0.616 . . . . 72.23 111.523 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' A' ' 9' ' ' ARG . 94.5 mt -96.77 104.97 17.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.288 -0.414 . . . . 71.33 110.697 174.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.6 p -80.19 -60.0 2.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.906 0.384 . . . . 51.03 111.598 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -76.37 104.1 6.71 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.274 0.559 . . . . 71.04 110.956 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.4 mt . . . . . 0 CA--C 1.537 0.452 0 CA-C-N 116.12 -0.491 . . . . 64.01 111.81 -177.853 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 121.078 0.466 . . . . 65.33 112.008 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -149.86 148.86 29.66 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.114 -0.493 . . . . 72.12 110.104 168.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 49.1 tp -77.36 102.14 6.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.257 0.551 . . . . 70.44 110.927 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.526 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -94.65 138.07 32.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.907 -0.588 . . . . 73.34 111.227 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . 0.484 ' HA3' ' HB2' ' B' ' 78' ' ' LEU . . . -114.24 143.08 17.88 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 121.034 -0.603 . . . . 62.45 113.518 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.578 HD12 HD23 ' B' ' 49' ' ' LEU . 41.1 mt -128.45 145.21 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.815 -0.439 . . . . 74.01 109.815 175.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.494 ' HB2' HD21 ' B' ' 78' ' ' LEU . 35.9 ttt180 -121.95 124.98 45.33 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.997 -0.439 . . . . 70.12 110.81 175.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.524 HD11 HD13 ' B' ' 66' ' ' LEU . 42.2 mt -113.3 117.25 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.535 . . . . 74.42 110.709 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.565 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 59.4 t -120.53 112.62 37.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 CA-C-O 121.342 0.592 . . . . 71.14 110.816 177.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.09 168.04 24.71 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.412 -0.813 . . . . 74.31 112.878 -177.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.441 ' HG3' ' HG2' ' B' ' 15' ' ' LYS . 14.6 pt-20 -76.44 143.64 40.43 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.24 0.459 . . . . 74.43 112.24 -176.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.69 94.11 0.06 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.268 0.47 . . . . 74.22 112.268 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.483 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 3.5 mmmp? -107.63 145.87 32.74 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.68 -0.236 . . . . 72.04 111.214 172.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 4.37 -65.36 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 O-C-N 124.764 1.29 . . . . 75.34 114.365 164.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.15 31.91 1.92 Allowed Glycine 0 CA--C 1.528 0.859 0 CA-C-N 115.732 -0.667 . . . . 70.31 113.529 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.483 ' HG2' ' HB2' ' B' ' 15' ' ' LYS . 20.3 mmm -66.16 -48.3 71.2 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 122.493 -0.416 . . . . 65.02 111.961 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 67.7 p -59.23 -30.99 68.65 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.139 0.495 . . . . 71.13 111.502 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.41 ' ND2' HG13 ' A' ' 33' ' ' ILE . 14.0 m120 -76.24 -48.41 20.4 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.061 -0.518 . . . . 70.04 110.949 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.486 ' O ' HG23 ' B' ' 25' ' ' VAL . 9.6 pt20 -67.0 -39.74 87.18 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.305 -0.407 . . . . 73.21 111.678 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.414 ' O ' HG13 ' B' ' 26' ' ' ILE . 10.5 mm -56.36 -54.33 29.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 112.007 0.373 . . . . 75.1 112.007 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 15.6 m -74.67 -28.59 60.9 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.093 0.473 . . . . 71.52 110.76 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.17 95.54 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-N 116.083 -0.508 . . . . 75.22 112.633 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 21' ' ' GLN . 91.9 t -71.61 -36.88 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 120.91 0.386 . . . . 64.31 110.836 175.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.466 HG21 HD13 ' B' ' 49' ' ' LEU . 71.2 mt -56.66 -40.18 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 120.806 0.336 . . . . 73.41 111.753 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 61.9 p -62.24 -21.74 65.41 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 120.764 0.316 . . . . 62.32 111.326 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -80.52 -1.55 42.3 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 111.882 0.327 . . . . 51.44 111.882 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -73.2 154.18 40.37 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.563 0.697 . . . . 73.04 112.332 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.32 10.51 2.45 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.363 -0.835 . . . . 65.04 111.948 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.8 t -125.79 162.62 24.69 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 112.531 0.567 . . . . 73.31 112.531 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.623 HD22 ' HA2' ' A' ' 17' ' ' GLY . 25.4 t-20 -87.38 132.12 34.07 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.0 -0.545 . . . . 74.04 111.505 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.47 HG13 ' ND2' ' A' ' 20' ' ' ASN . 64.8 mt -78.01 100.3 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.315 -0.402 . . . . 73.45 110.778 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' B' ' 34' ' ' ARG . 0.5 OUTLIER -77.51 -32.81 54.39 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.113 0.483 . . . . 64.13 111.1 -177.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 72.0 m -156.1 133.28 10.68 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.926 -0.579 . . . . 72.12 110.861 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.74 HD11 ' SG ' ' B' ' 47' ' ' CYS . 10.7 tp -134.15 130.12 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 120.993 0.425 . . . . 73.15 110.588 175.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 85.7 t -126.15 138.68 53.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 CA-C-N 116.437 -0.347 . . . . 70.31 110.254 177.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.619 ' O ' ' HA ' ' A' ' 35' ' ' THR . 7.7 tt -144.1 116.31 8.45 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.866 -0.42 . . . . 71.51 109.866 175.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.426 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 2.5 p-10 -134.9 109.64 8.63 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.221 0.534 . . . . 63.2 111.564 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -92.24 130.82 37.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.355 0.598 . . . . 65.13 112.493 -177.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.532 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -154.43 157.92 39.19 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.614 -0.721 . . . . 73.35 110.118 175.532 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 63.54 11.6 5.79 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 112.348 0.499 . . . . 71.11 112.348 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.53 11.36 60.87 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 121.124 -0.56 . . . . 72.34 112.86 -177.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.8 mt -136.0 158.26 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 122.922 0.489 . . . . 62.02 110.598 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.512 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 43.2 p90 -129.38 140.07 51.48 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 122.052 -0.405 . . . . 74.01 111.517 177.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.406 HG23 ' OD1' ' B' ' 39' ' ' ASN . 1.7 t -112.09 102.26 10.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.095 0.474 . . . . 73.44 111.755 175.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.74 ' SG ' HD11 ' B' ' 36' ' ' ILE . 51.8 t -91.06 113.41 25.66 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.235 -0.438 . . . . 72.02 111.632 177.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -94.88 110.9 22.73 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.546 0.338 . . . . 74.43 111.065 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.578 HD23 HD12 ' B' ' 8' ' ' ILE . 55.1 tp -98.22 131.58 44.45 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.109 0.481 . . . . 72.01 112.013 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.427 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 0.1 OUTLIER -126.19 111.02 14.12 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.171 -0.468 . . . . 62.32 110.976 176.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -139.53 159.69 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 112.219 0.451 . . . . 75.14 112.219 -175.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -97.67 130.94 44.63 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.127 0.489 . . . . 60.41 111.789 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.77 155.96 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.954 0.407 . . . . 74.21 111.609 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.506 ' NZ ' ' HB2' ' B' ' 54' ' ' LYS . 10.2 mtmp? -88.64 -12.97 40.99 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.264 -0.426 . . . . 74.41 111.868 177.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -164.31 166.59 20.7 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.903 0.382 . . . . 65.44 111.529 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 66.2 p -72.5 -35.8 68.23 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.689 0.626 . . . . 63.41 112.689 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.41 -32.37 73.79 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.641 0.734 . . . . 71.22 110.538 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -59.04 -44.44 91.76 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.284 -0.871 . . . . 73.15 110.981 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.526 HD22 ' HB1' ' B' ' 6' ' ' ALA . 64.0 tp -67.24 -47.33 71.11 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.287 -0.415 . . . . 71.43 111.579 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 75.4 p -60.1 -36.95 78.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.606 -0.27 . . . . 53.41 111.486 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 82.1 m -63.1 -42.27 99.55 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.443 -0.344 . . . . 54.42 111.069 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 50.5 mt -59.88 -47.99 83.51 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.937 0.398 . . . . 71.1 111.199 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.573 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 71.7 mtm -59.8 -39.89 86.51 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.747 0.308 . . . . 62.44 110.953 176.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.15 -38.2 85.57 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.077 0.465 . . . . 71.44 111.012 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -62.28 -42.82 99.68 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.321 0.581 . . . . 65.41 111.029 174.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.524 HD13 HD11 ' B' ' 10' ' ' ILE . 65.3 mt -71.26 -26.85 63.07 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.992 -0.549 . . . . 71.2 111.742 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.5 mtt180 -68.44 -9.02 45.78 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 111.983 0.364 . . . . 74.22 111.983 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -76.78 -9.67 58.84 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.722 0.638 . . . . 71.24 112.722 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.479 HG12 ' H ' ' B' ' 71' ' ' GLY . 41.8 t -92.46 125.49 45.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-O 121.491 0.662 . . . . 65.13 112.548 -174.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -58.43 -30.84 67.2 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.379 -0.828 . . . . 63.13 112.749 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.479 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -79.18 -11.94 84.53 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.254 -0.498 . . . . 73.11 114.186 -176.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.54 134.27 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 117.537 0.668 . . . . 70.13 111.942 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.29 -19.37 10.21 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.282 -0.417 . . . . 75.32 112.072 176.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.565 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 0.7 OUTLIER -124.13 118.38 26.77 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.946 -0.471 . . . . 74.4 111.655 176.077 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 39.6 t -128.28 110.27 21.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 109.053 -0.721 . . . . 73.34 109.053 170.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -137.71 160.93 37.88 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.745 0.646 . . . . 71.23 112.745 -173.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.44 ' HG3' HD21 ' B' ' 59' ' ' LEU . 76.1 ttt-85 -88.7 122.76 32.46 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.783 -0.644 . . . . 72.35 111.457 177.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.494 HD21 ' HB2' ' B' ' 9' ' ' ARG . 94.7 mt -70.45 99.55 1.62 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.939 0.399 . . . . 75.23 110.957 176.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 69.0 p -73.58 -58.27 3.42 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.133 0.492 . . . . 55.52 111.677 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -83.86 120.95 26.68 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 116.322 -0.399 . . . . 71.44 111.078 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 48.4 mt . . . . . 0 N--CA 1.467 0.384 0 CA-C-O 121.484 0.659 . . . . 42.33 112.053 -179.92 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.6 p90 . . . . . 0 C--O 1.235 0.328 0 CA-C-O 120.982 0.42 . . . . 60.23 109.975 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.0 tp -77.68 104.34 8.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.43 0.633 . . . . 74.11 110.808 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.609 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -93.09 136.85 32.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.728 -0.669 . . . . 74.22 111.542 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.69 138.43 14.81 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 121.276 -0.487 . . . . 63.32 113.189 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 mt -128.61 150.35 34.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 122.746 0.419 . . . . 65.22 110.359 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -128.77 130.33 46.88 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.894 0.378 . . . . 54.11 111.054 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.888 HD11 HD13 ' A' ' 66' ' ' LEU . 38.8 mt -120.41 117.36 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.999 -0.546 . . . . 44.35 110.981 -177.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.616 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 68.1 t -118.04 115.84 49.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.489 0.662 . . . . 74.25 111.058 174.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.0 162.93 27.09 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.59 -0.732 . . . . 73.15 112.59 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.38 139.21 47.72 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.12 0.486 . . . . 72.2 111.669 -177.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -76.03 108.23 8.79 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.266 -0.425 . . . . 74.15 111.893 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 17' ' ' GLY . 30.3 mtmm -134.92 127.13 30.05 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.299 -0.41 . . . . 73.4 111.248 175.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 53.96 -75.37 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.079 0.862 . . . . 74.42 113.162 167.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -149.04 30.09 1.22 Allowed Glycine 0 CA--C 1.525 0.678 0 CA-C-N 115.245 -0.889 . . . . 73.44 112.684 -175.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.462 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 59.0 mmm -57.5 -50.67 72.31 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.982 0.42 . . . . 71.22 111.647 177.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.8 p -56.7 -34.68 67.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 74.52 111.777 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -74.35 -45.88 44.33 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.05 0.452 . . . . 73.25 110.793 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.469 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.6 pt20 -67.54 -35.87 79.9 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.093 -0.503 . . . . 71.54 111.206 -176.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.473 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 12.1 mm -62.97 -53.57 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 111.998 0.369 . . . . 74.4 111.998 -178.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.432 ' HA ' HD12 ' A' ' 26' ' ' ILE . 10.1 m -72.02 -26.93 62.41 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.393 0.616 . . . . 50.11 110.152 177.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.37 -43.28 99.56 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 115.735 -0.666 . . . . 75.3 112.724 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 21' ' ' GLN . 75.2 t -66.31 -37.55 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-O 120.952 0.406 . . . . 75.02 110.795 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 23' ' ' THR . 74.0 mt -55.97 -43.31 74.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 121.008 0.432 . . . . 54.22 111.702 175.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.9 p -66.31 -21.13 66.25 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 120.794 0.331 . . . . 51.42 111.438 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 57.8 mtpt -77.25 -3.9 42.13 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.268 0.47 . . . . 63.05 112.268 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -74.14 165.05 25.82 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.466 0.65 . . . . 74.23 111.945 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -78.57 -33.45 47.65 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.768 -0.651 . . . . 64.35 111.275 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -78.04 168.39 19.96 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.827 -0.624 . . . . 73.41 112.338 -176.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -104.18 136.46 43.75 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.109 0.48 . . . . 64.33 111.561 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' B' ' 20' ' ' ASN . 67.6 mt -65.5 131.89 31.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.233 0.539 . . . . 72.25 111.434 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HG2' ' HA ' ' A' ' 51' ' ' ILE . 8.7 mmm180 -110.23 -34.12 6.46 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.347 0.594 . . . . 75.34 110.266 176.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 34.1 m -157.23 132.46 9.02 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.826 -0.625 . . . . 64.23 110.263 175.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.629 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.9 tp -134.73 128.88 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 121.028 0.442 . . . . 60.01 110.578 175.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.507 HG22 HG13 ' B' ' 37' ' ' VAL . 59.8 t -126.15 121.13 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 116.457 -0.338 . . . . 55.01 110.794 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.462 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.5 tt -134.48 128.27 33.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.041 -0.412 . . . . 74.22 110.787 178.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.58 HD22 ' N ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -152.2 130.98 12.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.459 -0.337 . . . . 75.43 110.929 174.139 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.69 116.68 33.16 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.096 0.474 . . . . 55.22 111.686 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.53 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -129.72 149.37 51.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.08 -0.509 . . . . 74.21 110.017 176.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 57.95 22.4 8.73 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 111.995 0.368 . . . . 73.32 111.995 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.89 6.61 82.21 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 121.258 -0.496 . . . . 75.22 113.843 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.8 mt -131.93 148.53 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 122.489 -0.418 . . . . 74.14 110.89 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.545 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 44.8 p90 -116.16 145.61 42.94 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.078 0.466 . . . . 73.53 111.475 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -119.26 102.25 8.57 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.998 -0.546 . . . . 63.14 110.84 174.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.629 ' SG ' HD11 ' A' ' 36' ' ' ILE . 42.5 t -95.53 113.61 25.28 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.098 -0.501 . . . . 72.15 111.687 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.0 m-20 -97.94 112.39 24.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.56 0.344 . . . . 73.5 110.814 178.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.42 HD13 HG21 ' A' ' 26' ' ' ILE . 47.9 tp -99.01 131.86 44.75 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.032 0.444 . . . . 73.2 111.946 -178.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.476 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 70.1 mmm -126.26 113.7 17.31 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.884 0.373 . . . . 72.43 111.308 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.461 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 2.3 pp -140.33 169.08 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 116.191 -0.459 . . . . 62.42 111.12 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.01 136.22 39.29 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.946 -0.471 . . . . 70.54 111.947 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.52 141.3 42.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 120.86 0.362 . . . . 72.24 110.938 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.561 ' H ' ' HD3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -73.65 -9.6 58.84 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.321 0.86 . . . . 74.33 113.321 179.516 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.89 154.18 12.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.138 0.422 . . . . 70.54 112.138 178.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.8 p -63.82 -23.6 67.42 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.528 0.566 . . . . 72.13 112.528 -175.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.36 -48.18 82.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.902 0.858 . . . . 73.23 109.611 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -57.71 -33.18 68.14 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.447 -1.251 . . . . 75.51 111.572 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.609 HD13 ' HB1' ' A' ' 6' ' ' ALA . 33.1 tp -70.3 -48.2 57.71 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.779 0.323 . . . . 75.21 111.618 178.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 63.4 p -61.81 -34.83 76.62 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.92 0.39 . . . . 74.02 111.385 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.8 m -57.76 -41.27 81.61 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.397 -0.365 . . . . 63.33 111.459 175.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.42 -35.13 79.92 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.447 -0.342 . . . . 54.45 111.696 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.9 mtt -54.66 -44.53 73.37 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.966 0.412 . . . . 74.03 110.986 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 32.2 t70 -60.84 -54.33 46.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.054 -0.521 . . . . 74.31 111.179 176.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -51.04 -36.97 42.59 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.715 -0.675 . . . . 63.43 111.968 -176.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.888 HD13 HD11 ' A' ' 10' ' ' ILE . 43.5 mt -83.76 -27.69 28.7 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.083 0.468 . . . . 73.14 111.524 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -79.82 -9.88 59.71 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 111.998 0.37 . . . . 74.12 111.998 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 31.5 mmmt -71.75 -5.51 34.57 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 122.089 -0.382 . . . . 75.53 111.974 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.92 121.31 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 120.717 0.294 . . . . 70.0 111.05 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -59.82 -28.82 67.8 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.546 0.573 . . . . 73.31 112.546 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.01 -14.88 78.6 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.166 -0.54 . . . . 53.54 114.08 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.54 141.08 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 117.246 0.523 . . . . 63.22 111.179 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -123.74 -3.59 8.22 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.803 0.668 . . . . 71.44 112.803 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.616 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 7.3 p -141.81 125.45 16.85 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.913 0.387 . . . . 75.43 111.156 174.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 t -141.2 101.91 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.561 -0.533 . . . . 62.53 109.561 172.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -131.19 177.89 7.12 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 111.868 0.322 . . . . 73.25 111.868 -172.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 77' ' ' ARG . 34.5 ttt180 -92.85 147.27 22.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.164 0.507 . . . . 73.22 111.499 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -95.27 114.88 26.72 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.864 -0.607 . . . . 65.22 110.714 173.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.2 t -81.6 -48.67 11.47 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.974 0.416 . . . . 65.32 111.797 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -85.99 114.75 23.13 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.42 -0.354 . . . . 75.33 110.982 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.1 mt . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 121.803 0.811 . . . . 63.14 110.99 -176.261 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 0.7 OUTLIER . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 120.78 0.324 . . . . 74.54 111.871 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -140.46 156.97 46.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.792 0.329 . . . . 63.35 110.565 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 37.4 tp -76.78 108.17 9.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.823 0.344 . . . . 72.14 110.971 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.574 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -100.71 153.21 19.63 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.468 -0.333 . . . . 61.24 111.307 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.93 135.45 8.26 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 120.876 -0.678 . . . . 64.54 114.051 -176.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 57.9 mt -127.51 126.61 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 122.838 0.455 . . . . 64.11 110.287 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.519 ' HB2' HD21 ' B' ' 78' ' ' LEU . 34.1 ttm180 -101.91 118.54 37.14 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.107 0.48 . . . . 72.34 111.307 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.59 HD11 HD13 ' B' ' 66' ' ' LEU . 49.1 mt -104.92 118.0 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.868 -0.605 . . . . 75.34 111.204 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.589 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 77.1 t -119.19 114.26 44.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.411 0.624 . . . . 54.24 110.895 175.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.26 170.93 23.91 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 115.647 -0.706 . . . . 63.2 112.444 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -73.89 128.67 36.14 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.252 0.549 . . . . 71.03 112.054 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.88 100.67 2.47 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.281 0.562 . . . . 63.4 111.45 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -120.41 179.37 4.33 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.912 -0.586 . . . . 60.31 112.394 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -74.94 43.16 0.19 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.696 0.999 . . . . 73.12 113.696 -171.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.3 -23.02 0.18 Allowed Glycine 0 CA--C 1.527 0.824 0 C-N-CA 121.201 -0.523 . . . . 64.22 113.469 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.481 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 35.3 mmm -53.31 -50.74 64.3 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.223 0.823 . . . . 61.24 113.223 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 50.6 p -56.65 -37.8 71.29 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.086 0.469 . . . . 55.23 111.907 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.488 ' HA ' HD12 ' A' ' 33' ' ' ILE . 25.3 t-20 -71.74 -45.94 60.14 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.979 -0.555 . . . . 61.42 110.643 -178.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.485 ' O ' HG23 ' B' ' 25' ' ' VAL . 7.9 pt20 -67.57 -38.94 84.82 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.087 -0.506 . . . . 75.44 111.426 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.422 ' O ' HG13 ' B' ' 26' ' ' ILE . 17.6 mm -61.1 -54.84 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 112.166 0.432 . . . . 72.23 112.166 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 14.0 m -73.82 -27.78 61.28 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.125 0.488 . . . . 72.44 110.636 -177.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -62.68 -52.2 50.35 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.212 -0.518 . . . . 64.24 112.549 174.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 21' ' ' GLN . 95.7 t -59.04 -37.92 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-O 120.893 0.378 . . . . 72.35 111.524 177.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.491 HG21 HD13 ' B' ' 49' ' ' LEU . 73.0 mt -57.56 -45.95 86.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 116.256 -0.429 . . . . 53.51 111.947 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 51.4 p -62.52 -20.85 65.03 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.835 0.35 . . . . 41.32 111.216 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 45.8 mtpt -82.33 4.77 22.54 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.359 0.503 . . . . 71.24 112.359 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -73.2 162.64 29.17 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.434 0.635 . . . . 73.43 112.055 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.48 -29.99 70.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.704 -0.68 . . . . 64.13 111.034 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.2 t -89.0 168.36 12.42 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.385 -0.825 . . . . 75.1 112.95 -172.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -93.8 125.37 38.39 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.674 -0.694 . . . . 65.31 111.114 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.5 ' HA ' HG22 ' B' ' 51' ' ' ILE . 2.2 mp -72.65 100.28 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.377 0.608 . . . . 73.22 110.6 177.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.475 ' HD3' ' HB3' ' A' ' 40' ' ' ALA . 5.2 tpp180 -80.64 -29.65 36.7 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.207 0.527 . . . . 75.21 110.898 -178.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 33.7 m -156.04 142.69 18.69 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.974 -0.557 . . . . 73.25 110.555 176.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.555 ' HA ' ' O ' ' B' ' 48' ' ' ASN . 20.4 tt -158.86 129.74 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.018 0.437 . . . . 73.15 111.165 173.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.507 HG13 HG22 ' A' ' 37' ' ' VAL . 64.3 t -132.82 105.03 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 116.504 -0.316 . . . . 71.12 111.552 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.621 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.6 tt -103.28 115.66 30.99 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 110.153 -0.314 . . . . 72.45 110.153 176.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -133.74 137.6 45.3 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.803 0.335 . . . . 73.22 110.922 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -102.25 123.11 45.5 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.176 0.512 . . . . 73.41 111.435 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.471 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -132.82 135.51 45.7 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.092 -0.504 . . . . 61.21 110.652 177.298 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 18.4 t70 65.72 13.22 8.83 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.013 -0.54 . . . . 73.11 112.03 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.62 -7.6 50.33 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 121.38 -0.438 . . . . 61.43 113.685 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -117.87 148.76 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 122.444 -0.444 . . . . 52.14 110.638 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.538 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 33.4 p90 -115.01 140.92 48.66 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.092 0.472 . . . . 45.31 111.677 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.403 ' HB ' HG22 ' B' ' 11' ' ' VAL . 2.3 t -116.13 104.88 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.017 -0.538 . . . . 71.22 110.907 175.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.407 ' HB3' ' HB ' ' B' ' 10' ' ' ILE . 48.7 t -90.4 103.07 15.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.057 0.456 . . . . 75.05 110.843 176.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.555 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 2.9 m-20 -83.41 105.35 14.28 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.266 -0.424 . . . . 74.4 110.655 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.491 HD13 HG21 ' B' ' 26' ' ' ILE . 33.6 tp -98.1 130.92 44.87 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.024 0.44 . . . . 71.34 111.899 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.554 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 60.4 mmm -130.82 113.46 14.11 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.246 -0.433 . . . . 63.11 111.306 178.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.5 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -138.35 158.79 31.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.0 0.429 . . . . 72.42 111.896 -177.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -90.38 131.67 36.03 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.879 0.371 . . . . 73.54 111.874 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 3.7 m -129.61 152.58 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 116.618 -0.265 . . . . 64.13 110.865 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.639 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 19.9 ptpt -94.01 -17.06 23.29 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.547 0.213 . . . . 65.23 111.428 175.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.639 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 30.2 m-80 -141.73 146.43 36.02 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.838 0.351 . . . . 74.44 111.219 176.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.8 p -61.36 -24.95 66.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.955 0.407 . . . . 74.23 111.227 173.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -56.11 -46.11 79.23 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.121 0.486 . . . . 71.13 110.878 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -57.34 -45.7 84.06 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.974 -0.557 . . . . 71.23 110.9 175.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.574 HD13 ' HB1' ' B' ' 6' ' ' ALA . 49.9 tp -57.04 -47.23 81.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.247 -0.433 . . . . 61.13 111.709 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.9 p -71.93 -27.73 63.0 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.912 0.387 . . . . 72.24 111.874 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 62.4 m -68.98 -42.29 76.73 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.701 0.286 . . . . 73.33 111.574 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 68.6 mt -59.78 -39.67 85.69 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.622 0.248 . . . . 70.41 111.283 177.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.5 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 61.8 mtt -51.48 -49.02 62.62 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.297 -0.41 . . . . 75.54 110.766 175.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 19.5 t70 -55.12 -52.65 62.59 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.873 -0.603 . . . . 71.41 111.153 177.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.449 ' NZ ' ' HB3' ' B' ' 65' ' ' LYS . 8.4 mtpm? -53.35 -34.49 57.77 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.237 0.541 . . . . 74.31 111.598 177.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.59 HD13 HD11 ' B' ' 10' ' ' ILE . 53.3 mt -81.77 -30.08 32.51 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.966 -0.561 . . . . 73.25 111.752 179.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' B' ' 63' ' ' MET . 51.9 mtt180 -70.65 -14.95 62.67 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.718 0.266 . . . . 74.11 111.718 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 1.5 mmmp? -72.46 -8.85 57.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.969 0.359 . . . . 73.42 111.969 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.8 t -86.95 119.59 35.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-O 121.207 0.527 . . . . 74.33 111.596 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -55.29 -33.7 63.48 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.007 0.743 . . . . 73.3 113.007 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.2 -9.63 86.85 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 121.075 -0.583 . . . . 72.02 114.553 -176.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 96.6 t -99.94 137.58 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 117.789 0.795 . . . . 71.11 111.786 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.99 -19.81 9.63 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.497 0.554 . . . . 73.05 112.497 178.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.589 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.5 p -126.75 118.94 25.73 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.185 0.517 . . . . 64.24 111.998 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 34.6 t -128.62 103.44 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.848 -0.797 . . . . 61.44 108.848 169.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -131.2 156.66 44.97 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.96 0.726 . . . . 62.31 112.96 -167.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.455 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 57.0 ttp85 -85.44 127.62 34.45 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.7 -0.682 . . . . 75.0 111.677 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' B' ' 9' ' ' ARG . 80.9 mt -77.87 99.25 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.047 -0.524 . . . . 73.23 110.317 173.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 43.4 t -69.06 -57.91 4.79 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.186 0.517 . . . . 73.1 111.297 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . 0.56 HD22 ' N ' ' B' ' 80' ' ' ASN . 0.8 OUTLIER -93.59 97.17 10.32 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.288 -0.414 . . . . 75.22 110.139 175.386 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.5 mt . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 121.799 0.809 . . . . 74.23 112.768 -175.039 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.422 ' HE2' ' HA ' ' A' ' 55' ' ' ASN . 52.0 p90 . . . . . 0 C--O 1.236 0.342 0 CA-C-O 120.957 0.408 . . . . 64.12 110.797 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.81 HD22 HH11 ' A' ' 34' ' ' ARG . 55.8 tp -81.64 107.7 14.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.185 0.517 . . . . 74.52 110.341 176.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -96.85 159.13 15.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.687 -0.688 . . . . 70.02 112.094 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -134.53 143.54 15.24 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 115.983 -0.553 . . . . 44.2 112.802 178.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.52 HD12 HD23 ' A' ' 49' ' ' LEU . 53.6 mt -129.61 140.67 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 122.644 0.378 . . . . 73.13 110.782 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -115.9 126.81 54.4 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.788 0.327 . . . . 62.21 111.339 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.806 HD11 HD13 ' A' ' 66' ' ' LEU . 40.5 mt -123.6 117.31 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 116.24 -0.437 . . . . 74.42 111.236 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.633 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 95.9 t -120.23 120.44 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.43 0.633 . . . . 75.24 111.232 174.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.3 163.07 27.54 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.751 -0.659 . . . . 61.01 112.886 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.08 134.21 52.35 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 121.207 0.527 . . . . 74.12 111.8 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -70.65 110.58 5.56 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.123 -0.49 . . . . 53.11 111.552 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.482 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 14.6 mmmm -121.2 -178.11 3.69 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.54 0.686 . . . . 72.14 112.733 -178.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -42.94 -30.77 0.44 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.339 -1.301 . . . . 64.11 114.002 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.36 36.8 0.4 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.383 -0.913 . . . . 73.25 113.747 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.482 ' HG2' ' HB2' ' A' ' 15' ' ' LYS . 50.2 mmm -73.59 -50.84 19.16 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 117.231 0.515 . . . . 62.02 111.979 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.7 p -61.18 -29.31 69.72 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.221 0.534 . . . . 73.11 111.109 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -76.44 -48.74 18.64 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.945 -0.571 . . . . 74.42 110.893 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.473 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.4 pt20 -68.77 -38.56 80.15 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.386 -0.37 . . . . 65.42 111.822 -176.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 22' ' ' ILE . 11.2 mm -56.32 -54.33 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.927 0.394 . . . . 45.12 111.858 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.469 HG21 HG21 ' B' ' 23' ' ' THR . 13.7 m -74.44 -27.19 60.49 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.209 0.528 . . . . 64.54 110.29 178.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.45 -38.32 93.35 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.214 -0.517 . . . . 64.2 112.475 172.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 21' ' ' GLN . 96.1 t -70.84 -40.21 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 120.91 0.386 . . . . 75.2 110.7 174.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.495 HG21 HD13 ' A' ' 49' ' ' LEU . 65.1 mt -56.14 -45.2 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 112.0 0.37 . . . . 70.11 112.0 177.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.4 p -59.21 -21.72 59.92 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 120.777 0.322 . . . . 71.04 111.702 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -75.49 -11.88 60.12 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.234 0.457 . . . . 51.23 112.234 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -65.63 161.65 20.01 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.949 0.88 . . . . 71.41 113.276 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -24.42 54.36 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.675 -1.148 . . . . 73.44 111.142 -178.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -91.28 179.13 5.78 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.828 -0.623 . . . . 70.44 112.018 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -108.07 132.6 53.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.455 -0.338 . . . . 72.2 111.065 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.49 ' HA ' HG22 ' A' ' 51' ' ' ILE . 67.2 mt -74.68 108.22 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.77 0.319 . . . . 74.22 111.383 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.81 HH11 HD22 ' A' ' 5' ' ' LEU . 35.8 ttt180 -80.93 -30.71 35.27 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.144 0.497 . . . . 71.53 110.351 177.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.561 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 87.3 m -159.6 132.83 6.99 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.03 -0.532 . . . . 74.42 111.147 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.741 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.4 tp -132.56 128.72 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 120.797 0.332 . . . . 75.22 110.176 173.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -135.4 104.74 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 120.93 0.395 . . . . 64.31 111.359 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.689 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.7 tt -114.7 129.17 56.65 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 110.083 -0.34 . . . . 73.43 110.083 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -138.46 139.51 38.87 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.755 0.312 . . . . 74.31 111.229 176.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -101.93 122.59 44.32 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.279 0.562 . . . . 71.02 111.521 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.508 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -140.35 142.13 35.6 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.882 -0.599 . . . . 61.55 110.593 178.629 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.67 12.74 9.0 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.147 0.498 . . . . 73.44 111.515 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.27 1.09 64.87 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 121.316 -0.469 . . . . 63.12 113.213 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.8 mt -123.16 161.64 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 109.635 -0.506 . . . . 72.13 109.635 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 34.8 p90 -124.68 148.86 47.73 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.999 -0.438 . . . . 72.43 111.772 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.462 ' HB ' HG22 ' A' ' 11' ' ' VAL . 2.3 t -122.27 114.13 20.39 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.078 -0.51 . . . . 43.44 111.065 174.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.741 ' SG ' HD11 ' A' ' 36' ' ' ILE . 51.9 t -95.54 114.28 26.03 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.355 -0.384 . . . . 73.44 110.95 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.424 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.4 m-20 -99.58 106.68 18.69 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.318 -0.401 . . . . 63.22 110.737 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 8' ' ' ILE . 56.0 tp -98.41 129.82 45.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.952 0.406 . . . . 62.52 112.05 -177.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.561 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 66.5 mmm -121.81 111.94 17.75 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.922 0.392 . . . . 61.53 110.983 176.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.49 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.3 pp -141.42 159.29 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.27 -0.423 . . . . 65.22 111.822 -176.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.414 ' CE2' ' HD2' ' A' ' 34' ' ' ARG . 22.0 m-85 -88.95 135.25 33.64 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.828 0.347 . . . . 74.34 111.667 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.6 m -133.68 150.03 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 116.512 -0.313 . . . . 43.22 111.182 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -59.49 -43.67 93.26 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.011 0.434 . . . . 72.12 111.562 175.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.422 ' HA ' ' HE2' ' A' ' 4' ' ' PHE . 2.3 p-10 -166.1 167.24 16.53 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.212 -0.449 . . . . 63.02 111.083 178.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.9 p -51.59 -33.66 33.73 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.568 0.951 . . . . 62.13 113.568 -172.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.15 -45.1 83.86 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.599 0.714 . . . . 74.22 110.828 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -58.71 -40.64 84.26 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.511 -0.768 . . . . 62.22 111.232 174.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.476 HD22 ' HB1' ' A' ' 6' ' ' ALA . 53.7 tp -65.64 -44.94 84.9 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.954 -0.566 . . . . 62.5 111.932 -178.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.2 p -60.93 -36.02 78.23 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.83 0.348 . . . . 61.51 111.272 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.7 m -57.36 -44.94 84.78 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.292 -0.413 . . . . 75.14 111.504 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.8 mt -60.63 -48.3 82.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.894 0.378 . . . . 74.51 111.508 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.631 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 74.4 mtm -55.35 -43.5 75.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.399 -0.364 . . . . 73.21 111.282 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.64 -46.29 84.37 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.971 0.415 . . . . 72.51 110.814 176.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -55.98 -33.13 64.54 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.116 -0.493 . . . . 72.13 111.37 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.806 HD13 HD11 ' A' ' 10' ' ' ILE . 41.0 mt -80.53 -26.61 37.98 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.23 -0.441 . . . . 75.24 111.942 177.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.631 ' HG3' ' O ' ' A' ' 63' ' ' MET . 80.7 mtp180 -70.63 -7.95 48.09 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.94 0.4 . . . . 74.32 111.678 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.421 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 11.1 mmpt? -72.71 -18.36 61.54 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.555 0.576 . . . . 64.22 112.555 -178.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.425 HG21 HD13 ' A' ' 22' ' ' ILE . 93.6 t -79.76 116.78 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.986 0.422 . . . . 72.31 111.658 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -32.73 38.44 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.245 0.832 . . . . 74.34 113.245 -177.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.58 -21.76 79.36 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.148 -0.548 . . . . 43.12 113.901 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.2 t -85.15 139.8 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 117.334 0.567 . . . . 61.24 112.075 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -122.56 -11.4 8.27 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.393 0.516 . . . . 70.11 112.393 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.633 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 7.6 p -132.59 119.41 20.44 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.096 0.474 . . . . 72.45 111.297 175.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.71 105.91 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.221 -0.445 . . . . 74.25 109.809 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -136.82 154.32 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.673 0.62 . . . . 75.41 112.673 -174.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HG3' HD21 ' A' ' 59' ' ' LEU . 42.1 ttp85 -80.71 142.63 33.68 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.415 -0.811 . . . . 74.43 111.718 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.69 116.87 29.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.338 -0.392 . . . . 75.43 110.627 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.1 p -82.93 -59.59 2.44 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.883 0.373 . . . . 71.24 111.739 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.16 119.42 26.42 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.204 -0.453 . . . . 61.42 111.508 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.5 mt . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 121.092 0.472 . . . . 64.02 111.825 179.502 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 4.2 m-20 . . . . . 0 CA--C 1.541 0.617 0 N-CA-C 112.393 0.516 . . . . 70.23 112.393 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -123.93 154.49 39.68 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.16 -0.473 . . . . 70.24 109.793 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.3 tp -75.94 103.89 6.22 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.257 0.551 . . . . 71.42 111.419 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.18 151.66 19.6 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.887 -0.597 . . . . 75.52 111.944 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.47 129.58 6.29 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 121.375 -0.44 . . . . 74.44 113.098 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.541 HD12 HD23 ' B' ' 49' ' ' LEU . 45.9 mt -115.07 148.7 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 120.72 0.295 . . . . 44.12 111.367 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.403 ' NE ' HG23 ' B' ' 11' ' ' VAL . 2.5 tmm_? -120.96 118.18 29.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.707 0.289 . . . . 73.42 110.488 178.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.536 HD11 HD13 ' B' ' 66' ' ' LEU . 39.2 mt -118.43 118.49 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-N 116.522 -0.308 . . . . 52.05 111.303 -175.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.553 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 81.0 t -118.34 116.85 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.405 0.622 . . . . 63.23 111.569 176.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.94 167.16 24.96 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.552 -0.749 . . . . 73.34 112.685 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -76.84 143.27 39.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.736 0.643 . . . . 54.41 112.736 -176.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.13 83.51 0.34 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.019 -0.537 . . . . 75.31 112.318 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -104.15 163.26 12.52 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.615 0.969 . . . . 54.41 113.615 172.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -40.37 -35.57 0.44 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 113.561 -1.654 . . . . 40.23 114.488 -175.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -136.91 7.67 3.84 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.68 -0.772 . . . . 70.42 113.907 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.554 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 25.8 mmm -62.31 -51.01 69.35 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.364 0.505 . . . . 72.11 112.364 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 47.1 p -60.72 -36.05 77.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.883 0.373 . . . . 65.14 111.736 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -72.43 -45.64 58.7 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.135 0.493 . . . . 73.2 110.797 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.453 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.5 pt20 -69.47 -34.09 73.84 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.952 -0.567 . . . . 74.44 111.646 -176.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.404 ' O ' HG13 ' B' ' 26' ' ' ILE . 9.5 mm -62.29 -53.95 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 111.938 0.347 . . . . 65.02 111.938 -178.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . 0.469 HG21 HG21 ' A' ' 23' ' ' THR . 4.2 m -73.44 -27.71 61.57 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.222 0.534 . . . . 73.11 110.265 178.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.5 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -61.72 -44.04 98.44 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.8 -0.636 . . . . 52.53 112.802 174.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 21' ' ' GLN . 73.2 t -68.62 -35.85 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 122.443 -0.445 . . . . 55.45 110.964 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.437 HG21 HD13 ' B' ' 49' ' ' LEU . 74.3 mt -59.31 -44.76 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 121.036 0.445 . . . . 74.22 111.474 175.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 55.5 p -60.94 -22.5 64.47 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.709 0.29 . . . . 64.51 111.295 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 61.0 mttp -82.89 3.81 28.21 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.524 0.565 . . . . 72.52 112.524 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -74.67 167.34 21.97 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.256 0.551 . . . . 72.32 112.112 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.76 -23.41 61.59 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.372 0.606 . . . . 71.33 111.239 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . 0.541 HG21 HD13 ' B' ' 51' ' ' ILE . 7.8 t -91.85 156.57 17.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.731 -0.668 . . . . 72.23 112.396 -173.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -95.28 117.35 30.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.902 -0.59 . . . . 73.22 111.193 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.454 ' HA ' HG22 ' B' ' 51' ' ' ILE . 64.4 mt -52.85 108.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 116.104 -0.498 . . . . 72.42 111.571 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -83.4 -40.49 19.28 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.352 0.596 . . . . 61.4 110.307 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 88.5 m -152.16 132.35 13.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.743 -0.662 . . . . 70.21 110.702 173.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.689 HG22 ' HB3' ' A' ' 38' ' ' LEU . 9.8 tp -134.68 135.16 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.89 0.376 . . . . 61.03 110.522 176.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 85.4 t -127.7 145.35 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.344 -0.389 . . . . 65.22 110.584 178.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.508 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.1 tt -144.29 110.61 5.51 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.491 -0.559 . . . . 74.22 109.491 170.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 1.3 p-10 -124.46 119.7 29.91 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.428 0.632 . . . . 74.34 111.703 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.567 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -104.56 132.3 50.96 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.439 -0.8 . . . . 74.33 111.952 -178.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.444 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -144.65 145.57 31.82 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.966 -0.561 . . . . 70.25 111.162 175.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 73.66 -32.24 0.24 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.62 0.768 . . . . 63.1 112.784 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.99 1.52 1.32 Allowed Glycine 0 CA--C 1.529 0.907 0 N-CA-C 112.176 -0.37 . . . . 70.34 112.176 -172.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 mt -126.36 155.97 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.081 0.552 . . . . 61.33 110.129 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.567 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 40.6 p90 -126.38 145.46 50.45 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.182 0.515 . . . . 54.02 111.546 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.517 ' HB ' HG22 ' B' ' 11' ' ' VAL . 0.9 OUTLIER -116.28 108.48 16.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.278 0.561 . . . . 72.22 111.581 174.5 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.582 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.6 t -89.03 123.07 33.0 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.31 -0.404 . . . . 74.43 111.292 176.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.537 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 15.3 m120 -104.74 112.15 25.14 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.818 0.342 . . . . 74.24 110.863 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.541 HD23 HD12 ' B' ' 8' ' ' ILE . 43.2 tp -99.11 126.0 44.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.058 0.392 . . . . 74.14 112.058 -177.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.454 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 62.0 mmm -123.29 106.96 11.15 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.959 0.409 . . . . 64.21 111.357 176.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.541 HD13 HG21 ' B' ' 31' ' ' THR . 2.7 pp -146.15 172.54 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.187 -0.46 . . . . 52.22 111.621 -177.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -97.01 136.12 38.03 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.059 0.457 . . . . 72.45 112.013 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 11.1 m -128.1 141.35 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.627 177.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.433 ' HE3' ' HB2' ' B' ' 54' ' ' LYS . 20.7 ptmt -68.37 -24.63 64.81 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.336 0.495 . . . . 72.41 112.336 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.433 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 0.2 OUTLIER -165.97 163.24 18.42 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.007 0.373 . . . . 63.55 112.007 178.234 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -55.16 -35.28 64.6 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.214 0.82 . . . . 74.13 113.214 -175.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.88 -36.91 85.89 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.222 0.534 . . . . 63.12 110.548 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 51.2 tptt -58.02 -44.4 87.26 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.986 -0.552 . . . . 70.2 110.711 173.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.04 -47.56 84.17 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.03 -0.532 . . . . 74.35 111.26 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . 0.446 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 81.8 p -65.58 -28.32 69.06 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.925 0.393 . . . . 52.12 111.224 178.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 84.9 m -67.2 -41.22 86.19 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.916 0.389 . . . . 71.25 110.729 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.8 -39.45 88.98 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.158 -0.474 . . . . 73.42 111.11 176.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.605 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 64.0 mtt -51.04 -54.86 20.96 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.234 -0.439 . . . . 74.05 110.868 176.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -55.93 -43.21 77.19 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.926 -0.579 . . . . 71.52 111.284 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -58.44 -37.01 74.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.217 0.532 . . . . 73.12 111.158 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.536 HD13 HD11 ' B' ' 10' ' ' ILE . 54.8 mt -79.3 -29.33 42.39 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.888 -0.596 . . . . 72.15 111.513 178.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' B' ' 63' ' ' MET . 70.7 mtp180 -73.74 -9.58 58.8 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.78 0.289 . . . . 74.04 111.78 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -72.32 -14.36 61.72 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 111.887 0.329 . . . . 72.23 111.887 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 50.5 t -82.22 120.63 34.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.073 0.463 . . . . 71.1 111.444 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -56.35 -34.71 66.87 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.772 0.656 . . . . 64.04 112.772 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.554 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -75.76 -16.28 80.76 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 114.344 0.497 . . . . 61.35 114.344 -175.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.425 HG23 ' HE1' ' B' ' 18' ' ' MET . 59.0 t -91.16 145.89 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 117.672 0.736 . . . . 74.12 111.462 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.41 -27.29 4.46 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.248 0.462 . . . . 63.14 112.248 174.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.553 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.3 p -118.85 126.29 51.47 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.083 0.401 . . . . 74.43 112.083 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.448 HG21 ' HG2' ' B' ' 67' ' ' ARG . 97.3 t -133.8 104.79 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 109.842 -0.429 . . . . 74.21 109.842 174.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -124.07 164.43 19.43 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.584 0.706 . . . . 63.11 112.812 -169.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.44 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 24.1 ttp85 -101.46 117.53 35.13 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.506 -0.77 . . . . 70.23 110.664 173.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.431 HD11 HD22 ' B' ' 48' ' ' ASN . 81.9 mt -66.66 -53.89 29.08 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.083 0.401 . . . . 74.4 112.083 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . 0.412 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 28.5 p 65.37 -62.42 0.22 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.887 0.875 . . . . 75.24 112.137 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -60.8 103.75 0.29 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.924 0.392 . . . . 74.11 111.096 174.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 79' ' ' SER . 78.8 mt . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 121.061 0.458 . . . . 63.54 111.868 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 6' ' ' ALA . 53.3 p90 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 121.164 0.507 . . . . 74.03 110.973 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.7 tp -80.85 103.05 10.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.776 -0.647 . . . . 64.3 110.462 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.499 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -93.09 138.56 31.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.858 -0.61 . . . . 41.42 111.896 -176.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.28 147.51 18.92 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 121.118 -0.563 . . . . 75.14 113.192 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.4 mt -133.32 140.09 47.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 O-C-N 122.663 -0.316 . . . . 61.05 110.503 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.435 ' HB2' HD21 ' A' ' 78' ' ' LEU . 79.6 ttt180 -116.18 122.99 46.68 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.131 -0.355 . . . . 74.02 110.947 175.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.525 HD11 HD13 ' A' ' 66' ' ' LEU . 34.2 mt -111.27 116.77 53.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 116.326 -0.397 . . . . 62.34 110.878 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.627 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 69.3 t -121.03 117.87 54.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 121.773 0.797 . . . . 64.12 111.306 176.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.47 164.48 27.69 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 115.335 -0.848 . . . . 75.05 112.036 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.85 135.41 46.6 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 117.141 0.471 . . . . 72.32 111.27 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.22 90.9 0.15 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.013 0.435 . . . . 75.24 111.52 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.587 ' O ' ' N ' ' A' ' 17' ' ' GLY . 31.5 mmmt -103.35 127.79 50.6 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.324 -0.398 . . . . 74.14 111.672 176.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 47.97 -73.94 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.675 0 O-C-N 124.327 1.017 . . . . 72.53 113.377 164.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -155.15 34.55 0.66 Allowed Glycine 0 CA--C 1.527 0.83 0 CA-C-N 115.498 -0.774 . . . . 73.23 112.357 -177.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.56 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 67.9 mtp -64.71 -43.99 91.68 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.497 -0.413 . . . . 75.12 111.801 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.3 p -53.37 -29.89 36.77 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.059 0.457 . . . . 51.31 111.351 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.555 ' HA ' HD12 ' B' ' 33' ' ' ILE . 12.0 m120 -77.08 -49.54 15.08 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.123 -0.49 . . . . 50.53 111.217 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.56 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.7 pt20 -69.88 -38.73 76.46 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.314 -0.403 . . . . 74.4 111.662 -177.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.469 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 13.2 mm -55.84 -54.39 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 121.08 0.466 . . . . 72.53 111.603 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 m -74.74 -27.75 60.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.537 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.27 -48.51 85.61 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.182 -0.532 . . . . 52.43 112.568 174.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 21' ' ' GLN . 66.8 t -60.14 -39.38 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 120.915 0.388 . . . . 50.3 110.995 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.476 HG21 HD13 ' A' ' 49' ' ' LEU . 72.4 mt -60.22 -40.82 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 116.162 -0.472 . . . . 50.31 111.506 175.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.512 ' HB3' ' O ' ' B' ' 20' ' ' ASN . 4.7 m -52.9 -41.23 64.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.353 0.596 . . . . 55.22 111.463 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' NZ ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -97.63 26.77 4.77 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.587 -0.733 . . . . 70.51 112.381 -176.339 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -75.73 168.99 18.99 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.681 0.753 . . . . 62.45 112.12 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.474 ' HB3' ' NZ ' ' A' ' 58' ' ' LYS . 38.3 t70 -85.54 35.31 0.6 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.341 -0.845 . . . . 52.41 110.833 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.5 t -153.69 157.92 40.26 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.107 0.479 . . . . 71.21 111.583 175.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -91.28 118.17 30.27 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.897 0.379 . . . . 61.54 112.005 -176.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.484 ' HA ' HG22 ' A' ' 51' ' ' ILE . 61.3 mt -59.79 109.93 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.516 -0.311 . . . . 60.42 111.042 177.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -34.45 15.51 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.215 0.531 . . . . 71.34 110.568 177.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.548 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 16.3 m -153.97 147.61 25.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 74.2 110.199 175.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.594 HG22 ' HB3' ' B' ' 38' ' ' LEU . 19.6 tt -160.99 135.42 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.062 0.458 . . . . 72.04 111.373 174.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.469 HG13 HG22 ' B' ' 37' ' ' VAL . 60.4 t -133.85 105.11 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 116.216 -0.447 . . . . 53.24 111.363 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.557 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.0 tt -106.05 134.03 49.83 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 110.192 -0.299 . . . . 71.41 110.192 175.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -147.85 134.57 19.97 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.976 0.417 . . . . 71.13 110.975 173.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.706 ' HB3' ' HD3' ' B' ' 34' ' ' ARG . . . -99.76 128.59 45.85 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.046 0.45 . . . . 74.44 111.346 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -148.84 146.74 28.11 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.876 -0.602 . . . . 75.33 110.917 -175.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 57.85 26.59 13.44 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.362 0.601 . . . . 64.32 111.975 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.06 -11.21 70.07 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 121.996 -0.44 . . . . 73.32 113.141 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.443 HG22 ' H ' ' A' ' 45' ' ' PHE . 1.9 mt -108.65 178.46 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 122.791 0.436 . . . . 55.14 109.986 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 38.9 p90 -142.06 149.28 39.72 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 122.042 -0.411 . . . . 75.34 110.862 169.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 5.1 t -124.72 109.75 13.51 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.125 0.488 . . . . 61.44 111.208 175.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 38' ' ' LEU . 51.0 t -98.64 112.83 24.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.185 -0.461 . . . . 63.42 111.09 177.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.464 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 2.8 m-20 -98.28 109.03 21.85 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.342 -0.39 . . . . 73.21 111.233 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.476 HD13 HG21 ' A' ' 26' ' ' ILE . 50.1 tp -98.18 137.85 36.33 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.834 0.349 . . . . 73.23 111.893 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.548 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 67.7 mmm -129.68 111.89 13.12 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 116.412 -0.358 . . . . 71.32 111.12 176.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.484 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.7 pp -142.48 160.66 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-N 116.419 -0.355 . . . . 73.01 111.744 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -92.83 142.08 27.72 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.349 0.5 . . . . 72.32 112.349 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 m -142.12 152.85 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 115.859 -0.61 . . . . 42.54 110.838 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 12.9 ptmm? -73.37 -38.74 65.58 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.286 0.476 . . . . 73.45 112.286 176.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.476 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -157.17 162.19 39.34 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 111.729 0.27 . . . . 64.43 111.729 179.629 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.9 p -55.6 -33.01 63.57 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.826 1.047 . . . . 64.21 113.826 -171.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.3 -37.71 75.58 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.711 0.767 . . . . 72.13 110.472 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.474 ' NZ ' ' HB3' ' A' ' 30' ' ' ASP . 50.4 tptt -63.03 -39.91 96.15 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.93 -1.032 . . . . 64.35 111.219 175.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.499 HD22 ' HB1' ' A' ' 6' ' ' ALA . 67.7 tp -70.57 -46.49 63.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.94 0.4 . . . . 53.5 111.968 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.8 p -59.51 -28.34 66.97 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.406 -0.361 . . . . 72.31 111.75 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 96.8 m -59.34 -41.73 89.86 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.986 0.422 . . . . 74.13 111.018 175.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.63 -40.09 92.16 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.049 -0.523 . . . . 52.35 111.409 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.418 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 60.0 mtt -51.67 -52.43 48.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.135 0.493 . . . . 75.33 110.948 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.91 -44.29 86.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.772 -0.649 . . . . 62.44 111.101 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 61' ' ' THR . 8.2 mtpm? -58.06 -37.07 73.74 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.102 0.477 . . . . 75.24 111.702 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.525 HD13 HD11 ' A' ' 10' ' ' ILE . 54.9 mt -79.44 -30.95 42.45 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.106 0.479 . . . . 74.22 111.577 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 63' ' ' MET . 86.6 mtt180 -71.8 -6.83 44.41 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.305 0.484 . . . . 74.11 112.305 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -72.07 -16.54 62.03 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.934 0.346 . . . . 73.0 111.934 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.427 HG12 ' H ' ' A' ' 71' ' ' GLY . 94.6 t -76.42 119.53 24.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 121.451 0.643 . . . . 71.54 111.939 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -51.55 -30.27 20.05 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.746 1.017 . . . . 72.22 113.746 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.427 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -95.05 -5.49 60.82 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 114.627 0.611 . . . . 64.34 114.627 -174.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.4 t -94.51 133.48 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 117.955 0.877 . . . . 65.41 111.581 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -117.57 -8.96 10.88 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.727 0.64 . . . . 71.42 112.727 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.627 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.6 p -135.19 124.29 24.36 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.159 0.504 . . . . 61.12 111.676 175.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 66' ' ' LEU . 52.7 t -140.48 103.1 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 109.279 -0.637 . . . . 64.12 109.279 171.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -134.31 167.59 20.43 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.335 0.494 . . . . 74.22 112.335 -171.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 ttp85 -88.87 136.14 33.17 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.407 0.622 . . . . 74.23 111.945 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.435 HD21 ' HB2' ' A' ' 9' ' ' ARG . 98.0 mt -88.39 114.79 25.37 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.829 -0.623 . . . . 74.03 110.474 173.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.1 p -85.25 -65.35 1.02 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.061 0.458 . . . . 72.53 111.465 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -75.22 98.43 3.76 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.224 -0.444 . . . . 54.43 111.05 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 112.483 0.549 . . . . 72.42 112.483 -174.788 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 121.16 0.505 . . . . 62.2 111.21 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -129.97 154.76 47.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.84 -0.429 . . . . 61.34 109.84 175.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 46.0 tp -79.56 102.98 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.321 0.581 . . . . 74.55 110.806 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.434 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -94.96 142.79 27.06 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.682 -0.69 . . . . 75.01 111.86 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.34 136.8 13.13 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 121.381 -0.438 . . . . 73.41 112.828 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.62 HD12 HD23 ' B' ' 49' ' ' LEU . 48.7 mt -124.04 143.89 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 121.015 0.436 . . . . 72.42 111.118 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -117.55 117.8 30.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.924 0.392 . . . . 75.5 110.902 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' B' ' 46' ' ' THR . 40.9 mt -112.02 117.75 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 116.285 -0.416 . . . . 51.53 111.075 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.593 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 50.4 t -122.15 113.77 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 121.442 0.639 . . . . 72.42 111.415 176.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.72 172.19 23.45 Favored Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.471 -0.786 . . . . 21.23 112.498 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.56 134.98 43.89 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.216 0.531 . . . . 65.41 112.211 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -70.1 117.63 11.92 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.339 -0.391 . . . . 74.11 110.947 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.463 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 47.9 mtpt -143.17 174.9 10.29 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.891 1.071 . . . . 72.43 113.891 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -31.57 -36.72 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 113.424 -1.716 . . . . 74.42 115.158 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.41 29.97 0.46 Allowed Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.628 -0.796 . . . . 63.42 113.343 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.463 ' HG2' ' HB2' ' B' ' 15' ' ' LYS . 48.8 mmm -73.43 -50.97 18.97 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.37 0.507 . . . . 73.51 112.37 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -63.55 -27.07 69.01 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.316 0.579 . . . . 64.43 110.726 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.512 ' O ' ' HB3' ' A' ' 27' ' ' SER . 15.0 m120 -76.04 -48.52 20.58 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.582 -0.736 . . . . 61.44 111.048 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.0 pt20 -66.29 -39.42 89.37 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.847 0.356 . . . . 64.42 111.706 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.508 ' O ' HG12 ' B' ' 26' ' ' ILE . 13.2 mm -59.19 -54.12 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 112.485 0.55 . . . . 63.15 112.485 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 22.4 m -70.6 -27.37 64.04 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.107 0.479 . . . . 71.52 110.728 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.9 -45.57 96.29 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.128 -0.558 . . . . 73.32 111.911 171.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 21' ' ' GLN . 92.5 t -62.34 -34.35 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 120.824 0.345 . . . . 73.31 111.327 175.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.78 HD12 HD22 ' B' ' 49' ' ' LEU . 49.9 mm -58.53 -44.32 88.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-O 120.94 0.4 . . . . 63.31 111.331 176.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 54.8 p -63.61 -21.47 66.38 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.955 0.407 . . . . 63.41 111.467 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' B' ' 25' ' ' VAL . 26.7 mtpp -79.87 -4.88 54.16 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 116.2 -0.454 . . . . 73.33 112.081 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -69.38 169.21 12.8 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.025 0.75 . . . . 73.3 113.025 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.24 -12.48 60.0 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.396 -0.82 . . . . 65.21 111.597 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -115.77 172.19 7.29 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.142 0.793 . . . . 73.43 113.142 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . 0.493 ' O ' HG22 ' B' ' 51' ' ' ILE . 22.6 t-20 -97.87 129.77 44.8 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.564 -0.744 . . . . 74.14 111.572 -174.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 20' ' ' ASN . 66.6 mt -69.81 98.81 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.028 0.442 . . . . 72.4 110.976 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ARG . . . . . 0.706 ' HD3' ' HB3' ' A' ' 40' ' ' ALA . 5.4 tpp180 -83.45 -30.59 27.14 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.267 0.556 . . . . 54.12 110.738 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.558 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 9.7 m -156.77 148.6 22.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.862 -0.608 . . . . 63.53 110.267 173.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.557 HG22 ' HB3' ' A' ' 38' ' ' LEU . 17.4 tt -157.23 133.29 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-O 120.956 0.408 . . . . 70.2 111.38 173.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.469 HG22 HG13 ' A' ' 37' ' ' VAL . 77.1 t -130.0 104.38 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 116.269 -0.423 . . . . 73.31 111.433 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.594 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.8 tt -110.16 131.69 54.83 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.211 -0.305 . . . . 70.01 110.658 177.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -147.96 145.71 28.68 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.551 -0.295 . . . . 74.42 110.668 173.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -114.45 120.23 39.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.193 0.521 . . . . 73.11 111.723 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.84 152.27 46.36 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.999 -0.546 . . . . 64.33 110.112 176.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 63.53 16.7 9.82 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 112.082 0.401 . . . . 71.11 112.082 -178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.25 12.79 81.79 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 121.136 -0.554 . . . . 62.22 112.801 -175.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.1 mt -131.37 155.58 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 122.952 0.501 . . . . 62.32 109.723 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.499 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.4 p90 -124.23 145.8 49.13 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.943 -0.473 . . . . 71.31 111.39 179.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 2.5 t -120.27 108.87 14.7 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.146 -0.479 . . . . 51.43 111.009 174.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' CYS . . . . . 0.439 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.2 t -95.84 105.72 17.76 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.144 0.497 . . . . 51.22 111.459 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 14.5 m120 -83.32 107.81 16.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.964 -0.562 . . . . 61.41 110.999 176.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.78 HD22 HD12 ' B' ' 26' ' ' ILE . 57.1 tp -98.68 134.55 41.44 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.857 0.36 . . . . 55.04 111.855 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.558 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 65.8 mmm -126.05 110.82 13.99 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.958 0.409 . . . . 73.22 110.908 175.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.493 HG22 ' O ' ' B' ' 32' ' ' ASN . 2.3 pp -140.55 164.42 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 116.221 -0.445 . . . . 53.21 111.632 -177.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -97.17 130.76 44.38 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 120.752 0.311 . . . . 71.21 111.752 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.408 HG21 ' HB2' ' B' ' 59' ' ' LEU . 3.5 m -131.92 148.2 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 120.974 0.416 . . . . 55.1 111.247 177.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.47 ' HG3' HD22 ' B' ' 55' ' ' ASN . 17.8 ptpt -74.91 -35.49 62.21 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.558 0.577 . . . . 74.11 112.558 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.47 HD22 ' HG3' ' B' ' 54' ' ' LYS . 48.1 m-80 -136.7 151.16 48.95 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 122.178 -0.326 . . . . 63.14 111.103 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.9 p -62.34 -20.21 64.15 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.999 0.428 . . . . 74.14 110.969 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.36 -41.43 73.12 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.655 0.74 . . . . 74.31 109.629 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -59.6 -37.83 79.62 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.995 -1.002 . . . . 72.34 110.765 173.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.434 HD13 ' HB1' ' B' ' 6' ' ' ALA . 50.1 tp -67.98 -48.45 65.76 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.953 -0.567 . . . . 54.44 111.629 178.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 69.4 p -60.51 -40.06 90.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.725 0.298 . . . . 73.31 110.84 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 85.6 m -53.06 -45.52 68.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.082 -0.508 . . . . 74.21 111.527 175.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 47.5 mt -59.91 -47.56 85.26 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.845 0.355 . . . . 75.43 111.476 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.519 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 79.5 mtm -59.43 -39.33 83.17 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.5 -0.318 . . . . 52.2 111.179 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.24 -47.91 82.06 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.027 0.442 . . . . 73.13 111.206 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' B' ' 65' ' ' LYS . 8.6 mtpm? -54.86 -40.29 69.52 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.921 -0.581 . . . . 73.31 111.578 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.547 ' HB2' HG11 ' B' ' 75' ' ' VAL . 67.1 mt -75.17 -29.68 60.5 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.979 -0.555 . . . . 73.41 111.87 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' B' ' 63' ' ' MET . 98.8 mtt180 -70.92 -8.29 51.92 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 120.719 0.295 . . . . 75.53 111.74 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -83.43 2.83 34.7 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.063 0.459 . . . . 75.14 111.361 176.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.422 HG12 ' H ' ' B' ' 71' ' ' GLY . 62.9 t -88.62 116.74 30.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 116.352 -0.385 . . . . 71.14 110.782 176.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -64.99 -13.71 58.42 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.729 0.64 . . . . 53.12 112.729 -173.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.448 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -93.46 -10.85 58.89 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 121.042 -0.599 . . . . 43.21 113.811 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 94.8 t -105.07 134.03 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 O-C-N 122.252 -0.557 . . . . 62.23 111.691 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.9 -16.36 13.56 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.542 0.571 . . . . 75.21 112.542 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.593 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.1 p -132.4 123.62 27.09 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.166 0.507 . . . . 72.52 111.825 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.547 HG11 ' HB2' ' B' ' 66' ' ' LEU . 25.4 t -136.01 103.5 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.95 -0.759 . . . . 73.21 108.95 171.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -133.99 160.16 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.273 0.558 . . . . 55.14 112.165 -168.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -83.48 148.86 26.99 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.881 -0.599 . . . . 70.52 112.143 -176.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.5 mt -104.0 128.66 51.57 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.027 -0.533 . . . . 71.21 110.814 175.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 79.3 p -97.83 -39.84 8.82 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.924 0.392 . . . . 71.42 111.662 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -101.07 129.78 47.0 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.954 0.407 . . . . 65.1 111.18 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 120.884 0.373 . . . . 73.35 111.537 -177.887 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 121.077 0.465 . . . . 75.25 110.641 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 23.2 m -82.16 157.55 23.97 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.175 -0.466 . . . . 71.13 111.651 -176.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.518 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 14.2 t70 -172.42 121.05 0.42 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.014 0.435 . . . . 75.22 110.122 172.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -132.08 157.94 42.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.134 0.492 . . . . 74.43 111.403 -175.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 51' ' ' ILE . 58.9 tp -79.13 102.69 8.6 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.87 -0.604 . . . . 73.23 110.578 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.511 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -93.71 128.72 40.05 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.88 -0.6 . . . . 71.12 112.112 -177.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.33 144.06 15.74 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 116.294 -0.412 . . . . 53.34 113.008 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.5 mt -133.0 138.84 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 122.626 0.37 . . . . 61.45 110.973 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -116.49 119.23 34.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.165 0.507 . . . . 72.11 111.525 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.627 HD11 HD13 ' A' ' 66' ' ' LEU . 43.6 mt -113.4 120.0 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.826 -0.624 . . . . 71.23 111.286 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.601 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.7 t -118.46 117.18 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 121.504 0.669 . . . . 74.54 111.193 173.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.53 169.19 23.89 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.578 -0.737 . . . . 62.32 112.153 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -73.2 131.16 41.67 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.096 0.474 . . . . 74.42 111.725 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.04 85.59 0.05 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.465 0.65 . . . . 71.53 110.951 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 17' ' ' GLY . 13.9 mttp -106.67 159.14 16.43 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 114.38 1.252 . . . . 73.33 114.38 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.06 73.99 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 112.805 -1.998 . . . . 74.21 112.212 174.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . 133.56 -22.9 3.86 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 115.473 -0.785 . . . . 73.43 114.037 173.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.502 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 49.5 mmm -55.24 -51.44 66.61 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.939 0.718 . . . . 74.14 112.939 -176.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -57.37 -31.44 65.78 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.003 0.371 . . . . 62.04 112.003 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -76.33 -48.54 19.67 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.06 0.457 . . . . 74.45 110.92 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.1 pt20 -66.93 -37.5 84.45 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.063 -0.517 . . . . 44.21 111.661 -176.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.439 HG13 ' HZ ' ' A' ' 45' ' ' PHE . 12.3 mm -59.37 -54.24 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 112.495 0.554 . . . . 64.04 112.495 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.3 m -73.9 -27.42 61.04 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.213 0.53 . . . . 72.24 110.503 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.81 -39.0 96.18 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 121.219 -0.515 . . . . 74.34 112.355 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 21' ' ' GLN . 64.5 t -67.09 -40.38 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.873 0.368 . . . . 52.54 111.198 174.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.487 HG21 HD13 ' A' ' 49' ' ' LEU . 70.8 mt -55.13 -46.31 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.061 -0.518 . . . . 74.34 112.099 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.3 p -59.39 -20.88 58.29 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 111.984 0.365 . . . . 61.32 111.984 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -80.27 -5.57 56.46 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.541 0.571 . . . . 74.51 112.541 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -70.57 166.89 19.65 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.313 0.578 . . . . 54.24 112.439 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -84.36 11.51 8.32 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.063 -0.517 . . . . 64.23 111.825 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 t -124.65 155.86 38.49 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.135 0.493 . . . . 73.03 112.209 -175.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -90.58 130.44 36.61 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.137 -0.483 . . . . 71.41 111.691 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.501 ' HA ' HG22 ' A' ' 51' ' ' ILE . 66.6 mt -68.07 113.1 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.051 -0.522 . . . . 70.11 111.269 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -88.4 -35.61 17.02 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.33 0.586 . . . . 73.42 110.387 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 89.7 m -158.15 132.28 8.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.67 -0.695 . . . . 73.3 110.884 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.727 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.1 tp -131.64 128.17 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 110.189 -0.3 . . . . 72.32 110.189 175.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.584 HG22 HG13 ' B' ' 37' ' ' VAL . 62.5 t -130.23 103.4 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.962 0.41 . . . . 64.12 111.521 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.8 tt -110.37 130.32 55.58 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.804 -0.443 . . . . 73.54 109.804 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.443 ' HB3' HG23 ' B' ' 35' ' ' THR . 0.2 OUTLIER -151.79 139.26 19.54 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.092 0.473 . . . . 53.53 112.034 174.44 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -94.92 145.69 24.74 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.766 -0.652 . . . . 74.54 110.416 178.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -116.69 -74.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.931 0.872 . . . . 73.31 112.566 -171.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -136.9 80.91 1.84 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.849 -1.069 . . . . 54.12 110.236 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.71 -2.78 14.78 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 120.94 -0.648 . . . . 73.11 113.101 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mt -124.22 159.54 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 109.662 -0.496 . . . . 71.4 109.662 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.526 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 31.3 p90 -133.24 140.98 47.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 64.51 110.524 176.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.534 ' HB ' HG22 ' A' ' 11' ' ' VAL . 6.2 t -118.28 117.9 30.37 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.075 0.464 . . . . 75.42 111.408 174.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.727 ' SG ' HD11 ' A' ' 36' ' ' ILE . 45.3 t -105.63 124.21 49.18 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.049 -0.523 . . . . 30.32 111.075 176.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.407 ' O ' HD12 ' A' ' 36' ' ' ILE . 78.1 m-20 -105.74 117.0 32.89 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.636 0.255 . . . . 74.43 110.763 179.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 26' ' ' ILE . 52.7 tp -98.8 128.09 44.92 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.027 0.442 . . . . 71.42 111.921 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.474 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.3 mmm -120.58 109.66 15.51 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.1 -0.5 . . . . 72.14 110.847 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.501 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -140.08 176.57 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 116.002 -0.544 . . . . 62.0 111.523 -176.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -109.6 143.99 38.54 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.059 0.457 . . . . 73.44 111.636 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 19.3 m -143.03 141.61 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 116.275 -0.42 . . . . 71.51 110.375 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 2' ' ' THR . 53.6 mttm -68.46 -45.88 71.27 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.58 0.705 . . . . 74.31 111.508 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.402 ' ND2' ' HB2' ' A' ' 54' ' ' LYS . 15.7 m-80 -128.52 147.97 50.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.493 -0.776 . . . . 64.03 111.084 -170.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.9 p -61.62 -26.38 67.95 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.012 0.434 . . . . 60.52 111.184 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.01 -40.46 87.31 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.837 0.827 . . . . 65.31 109.739 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -59.45 -31.39 69.26 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 115.15 -0.932 . . . . 63.24 111.131 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.511 HD13 ' HB1' ' A' ' 6' ' ' ALA . 39.4 tp -76.56 -48.32 19.69 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.431 -0.349 . . . . 74.23 111.609 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -59.54 -30.63 68.75 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.133 0.492 . . . . 71.33 110.953 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 90.8 m -63.95 -39.4 94.07 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.789 -0.642 . . . . 71.34 111.501 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.83 -39.58 89.57 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.79 0.328 . . . . 72.22 111.137 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.614 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 56.8 mtt -54.75 -55.08 33.78 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.388 -0.369 . . . . 71.42 110.541 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -54.36 -36.38 63.79 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.883 -0.598 . . . . 74.55 111.627 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -65.54 -40.92 93.46 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.105 -0.498 . . . . 71.11 111.671 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.627 HD13 HD11 ' A' ' 10' ' ' ILE . 64.7 mt -77.34 -30.77 54.09 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.127 0.489 . . . . 62.41 111.836 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.614 ' HG3' ' O ' ' A' ' 63' ' ' MET . 76.3 mtp180 -71.27 -7.62 48.16 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.202 -0.454 . . . . 72.42 112.074 -178.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -71.51 -9.75 58.69 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.078 0.399 . . . . 72.24 112.078 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -92.46 118.32 37.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.215 0.531 . . . . 74.54 111.778 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -60.7 -28.42 68.63 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.709 -0.678 . . . . 74.01 112.498 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.31 -16.67 79.75 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 121.127 -0.559 . . . . 74.42 113.761 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 93.8 t -94.56 139.78 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 117.214 0.507 . . . . 70.31 111.405 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -121.16 -14.16 8.41 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.552 0.575 . . . . 74.13 112.552 177.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.601 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.6 p -131.26 124.0 29.58 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.803 -0.561 . . . . 72.43 111.644 175.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.2 t -132.06 103.32 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 116.138 -0.483 . . . . 53.33 109.781 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -124.27 165.68 17.21 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.627 0.602 . . . . 73.24 112.627 -170.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.522 ' HG3' HH11 ' A' ' 77' ' ' ARG . 15.8 ttt85 -97.49 132.82 42.82 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.876 -0.602 . . . . 75.43 111.424 174.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 98.4 mt -89.81 103.02 15.72 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.97 0.414 . . . . 50.31 110.72 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.1 p -81.38 -60.88 2.11 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.862 0.363 . . . . 75.24 111.504 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -69.86 105.15 2.69 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.326 0.584 . . . . 72.41 111.18 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.4 mt -108.22 149.21 28.87 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.284 0.564 . . . . 73.21 112.132 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -91.77 12.29 21.83 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.602 0.715 . . . . 63.13 110.922 175.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -85.54 86.43 7.37 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.85 -0.614 . . . . 71.22 111.775 -173.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -74.89 83.84 2.2 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.299 0.571 . . . . 74.31 111.008 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -99.71 96.88 7.91 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.949 -0.568 . . . . 74.22 110.766 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -138.4 -173.39 3.52 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.05 0.453 . . . . 75.11 111.736 -177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -128.46 136.64 51.1 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.308 -0.405 . . . . 63.13 110.43 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.789 -0.624 . . . . 63.22 111.459 -179.742 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.657 ' HG3' ' H ' ' B' ' 2' ' ' THR . 11.8 ptm . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 111.564 0.209 . . . . 72.23 111.564 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.657 ' H ' ' HG3' ' B' ' 1' ' ' MET . 12.6 t -74.33 -26.58 60.24 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.831 0.824 . . . . 73.42 109.448 171.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.558 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 11.5 p-10 -88.7 146.5 25.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.429 -1.26 . . . . 70.21 111.549 178.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -155.19 157.89 38.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.954 0.407 . . . . 72.23 110.836 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 43.8 tp -79.34 102.99 8.96 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.082 0.468 . . . . 72.03 111.139 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.435 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -93.61 148.16 22.35 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.179 -0.464 . . . . 61.42 111.526 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.77 141.38 14.94 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.308 -0.473 . . . . 75.51 113.5 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.484 HD12 HD23 ' B' ' 49' ' ' LEU . 48.3 mt -129.62 149.22 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 122.953 0.501 . . . . 63.42 110.162 176.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.552 ' HB3' ' HG3' ' B' ' 76' ' ' GLU . 43.7 ttt-85 -130.23 119.88 23.6 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.795 0.331 . . . . 64.13 110.7 177.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.599 HD11 HD13 ' B' ' 66' ' ' LEU . 43.6 mt -113.19 117.1 54.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 116.473 -0.331 . . . . 63.12 111.348 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.627 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 43.3 t -115.5 113.83 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.759 0.79 . . . . 64.0 111.066 174.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.44 171.67 22.48 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 115.277 -0.874 . . . . 55.32 112.018 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.46 132.13 46.47 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.28 0.562 . . . . 74.5 112.008 -177.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -73.19 87.16 1.43 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.195 0.521 . . . . 62.43 111.961 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -105.21 156.11 18.42 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.757 1.021 . . . . 73.43 113.757 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.32 69.01 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 113.937 -1.483 . . . . 72.45 112.006 173.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.79 -36.51 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 CA-C-N 115.509 -0.769 . . . . 64.31 112.894 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.535 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 63.3 mmm -54.41 -51.12 65.91 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.736 0.643 . . . . 72.53 112.736 -179.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 75.5 p -58.49 -31.92 68.31 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.956 0.408 . . . . 53.11 111.812 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -76.53 -48.78 18.28 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.345 -0.389 . . . . 72.1 111.079 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.535 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 10.0 pt20 -65.73 -39.96 91.69 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.158 -0.474 . . . . 50.14 111.362 -177.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.419 HG13 ' CZ ' ' B' ' 45' ' ' PHE . 12.9 mm -60.08 -53.95 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 N-CA-C 112.373 0.509 . . . . 74.44 112.373 -177.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 19.1 m -71.82 -27.12 62.7 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.115 0.483 . . . . 72.43 110.367 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.25 -47.29 91.77 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 121.127 -0.559 . . . . 72.42 112.462 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 21' ' ' GLN . 95.1 t -59.12 -39.46 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.382 0.611 . . . . 45.41 110.928 174.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.474 HG21 HD13 ' B' ' 49' ' ' LEU . 71.5 mt -64.57 -43.74 96.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 115.945 -0.571 . . . . 73.42 112.008 177.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 84.5 p -65.72 -22.76 66.63 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.003 0.372 . . . . 64.52 112.003 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' B' ' 25' ' ' VAL . 20.5 ptmt -97.46 13.19 30.71 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 111.934 0.346 . . . . 72.24 111.934 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -66.33 179.2 1.02 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.696 0.76 . . . . 72.12 111.931 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -26.23 34.85 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.395 -0.82 . . . . 72.34 110.944 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.5 t -96.0 171.26 8.74 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.549 -0.75 . . . . 61.55 112.661 -173.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -99.95 131.97 45.59 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.308 -0.406 . . . . 54.54 111.268 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.464 ' HA ' HG22 ' B' ' 51' ' ' ILE . 58.5 mt -81.9 105.7 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.448 -0.342 . . . . 75.4 111.884 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.06 -23.34 22.57 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.99 -0.443 . . . . 73.14 111.747 178.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 18.6 m -156.09 144.4 19.94 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.645 0.259 . . . . 53.15 110.891 173.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.518 HG22 ' HB3' ' A' ' 38' ' ' LEU . 20.3 tt -160.48 129.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.88 0.372 . . . . 63.32 111.031 173.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.584 HG13 HG22 ' A' ' 37' ' ' VAL . 59.9 t -128.88 104.0 10.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 120.863 0.363 . . . . 63.23 111.509 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.677 ' HB3' HG22 ' A' ' 36' ' ' ILE . 7.5 tt -106.19 125.07 50.54 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 109.534 -0.543 . . . . 64.22 109.534 174.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -136.03 120.98 18.71 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.208 0.528 . . . . 63.34 111.367 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -92.99 110.72 22.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.691 -0.686 . . . . 54.44 110.482 176.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -126.07 135.54 51.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.916 -0.584 . . . . 73.2 111.089 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.4 t70 70.11 -31.4 0.22 Allowed 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.213 0.819 . . . . 44.34 113.213 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.47 -8.18 0.46 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 122.169 -0.332 . . . . 51.24 112.623 -174.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.6 159.58 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 122.423 -0.457 . . . . 54.12 110.268 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.537 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 31.9 p90 -126.06 143.31 51.16 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 122.136 -0.352 . . . . 65.23 111.379 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.5 t -119.58 105.83 11.59 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.091 0.472 . . . . 73.24 111.251 174.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' B' ' 38' ' ' LEU . 44.1 t -95.09 105.84 17.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.003 0.43 . . . . 71.44 111.112 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.479 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 2.2 m-20 -91.04 110.01 21.27 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.223 -0.444 . . . . 63.12 110.9 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.484 HD23 HD12 ' B' ' 8' ' ' ILE . 40.9 tp -98.21 135.41 39.9 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.995 0.426 . . . . 70.53 111.941 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.586 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 61.5 mmm -129.87 113.06 14.19 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.341 -0.391 . . . . 75.11 111.254 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -143.55 160.32 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.147 -0.479 . . . . 52.3 111.844 -175.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -90.68 132.19 35.94 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.952 0.406 . . . . 70.33 111.636 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 23.2 m -124.83 155.9 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 116.363 -0.381 . . . . 74.42 111.272 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -82.78 -17.75 43.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.724 0.297 . . . . 73.42 111.797 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -166.99 169.04 13.34 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.023 0.439 . . . . 72.1 111.81 -176.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 56.2 p -69.82 -31.11 68.81 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.288 -0.414 . . . . 73.12 111.614 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.19 -36.58 84.52 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.622 0.725 . . . . 70.2 110.25 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -57.93 -44.3 86.8 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.312 -0.858 . . . . 75.12 110.965 173.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.435 HD13 ' HB1' ' B' ' 6' ' ' ALA . 52.5 tp -64.74 -46.68 81.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.094 -0.503 . . . . 52.44 111.467 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 82.5 p -63.49 -29.54 70.8 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.814 0.34 . . . . 72.4 111.546 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 98.8 m -65.81 -43.42 88.68 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.92 0.39 . . . . 64.23 111.516 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.1 -36.14 76.77 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.488 -0.324 . . . . 64.23 111.418 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.409 ' CE ' ' HB2' ' B' ' 77' ' ' ARG . 60.2 mtt -54.1 -51.4 64.29 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.996 0.427 . . . . 71.42 111.065 176.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.07 -36.51 81.88 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.028 -0.533 . . . . 64.04 111.297 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -63.11 -37.77 88.53 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.097 -0.501 . . . . 43.32 111.26 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.599 HD13 HD11 ' B' ' 10' ' ' ILE . 58.7 mt -77.86 -35.05 51.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.025 -0.534 . . . . 61.15 111.68 179.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -64.88 -6.83 9.17 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 112.371 0.508 . . . . 74.01 112.371 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -70.89 -13.87 62.18 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.884 0.373 . . . . 74.41 111.832 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 44.8 t -92.12 111.92 24.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 120.921 0.391 . . . . 63.23 111.205 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -58.37 -27.72 64.48 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.622 0.601 . . . . 74.23 112.622 -175.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.82 -23.32 75.77 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 121.215 -0.516 . . . . 45.12 113.513 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 84.0 t -88.44 135.91 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 122.468 -0.431 . . . . 64.01 111.395 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -116.09 -16.43 11.03 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.422 0.527 . . . . 61.03 112.422 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.627 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 4.6 p -129.81 119.15 22.91 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.169 0.509 . . . . 72.25 111.724 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 41.1 t -126.35 103.86 12.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.296 -0.631 . . . . 73.51 109.296 169.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.552 ' HG3' ' HB3' ' B' ' 9' ' ' ARG . 8.1 pt-20 -128.78 160.81 31.39 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.364 0.602 . . . . 72.12 112.542 -169.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.409 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 20.0 ttp85 -90.98 144.55 25.55 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.777 -0.647 . . . . 72.4 111.95 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' B' ' 9' ' ' ARG . 98.5 mt -101.38 99.37 9.72 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.216 -0.447 . . . . 54.31 110.8 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 77.3 p -73.11 -57.8 3.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.276 0.56 . . . . 74.14 110.651 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -79.08 118.05 20.7 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.686 -0.688 . . . . 62.03 110.453 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 44.6 mt -95.72 166.6 11.74 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.945 0.878 . . . . 50.42 113.066 -174.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.97 20.24 17.92 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.65 -1.159 . . . . 71.35 111.545 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.55 ' NE2' ' HG3' ' B' ' 50' ' ' MET . 22.9 m-70 -98.37 103.1 15.02 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.257 0.551 . . . . 71.13 112.462 -171.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -163.42 175.07 11.15 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.444 -0.798 . . . . 73.43 110.501 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -49.07 123.82 7.83 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 111.91 0.337 . . . . 74.21 111.91 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 33.9 m170 71.62 95.86 0.07 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.626 0.77 . . . . 62.52 111.911 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -112.61 127.9 56.22 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.151 -0.477 . . . . 75.41 111.606 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 6.4 t60 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.638 -0.696 . . . . 74.35 110.609 175.462 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.3 ttm . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.745 0.307 . . . . 71.12 110.34 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 m -104.89 139.94 38.88 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.527 0.566 . . . . 51.21 112.527 -172.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.82 151.66 43.28 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.975 -0.557 . . . . 72.31 111.269 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -125.28 151.05 46.48 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.19 0.519 . . . . 70.44 111.022 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.3 tp -76.05 103.86 6.31 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.302 0.572 . . . . 54.31 111.276 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.455 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -98.12 142.29 29.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.748 -0.66 . . . . 70.42 111.858 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.52 149.67 18.25 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 121.257 -0.497 . . . . 73.12 113.054 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.42 HD12 HD23 ' A' ' 49' ' ' LEU . 28.5 mt -136.47 144.93 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 O-C-N 122.665 -0.315 . . . . 73.12 110.755 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.559 ' HB2' HD21 ' A' ' 78' ' ' LEU . 46.6 ttt180 -121.21 120.21 34.55 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.208 -0.308 . . . . 74.51 110.699 175.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.685 HD11 HD13 ' A' ' 66' ' ' LEU . 45.1 mt -109.59 117.08 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.373 -0.376 . . . . 74.32 111.247 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.641 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 70.6 t -119.97 115.43 47.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.58 0.705 . . . . 72.43 111.0 174.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.51 169.88 25.33 Favored Glycine 0 CA--C 1.523 0.554 0 CA-C-N 115.642 -0.708 . . . . 62.2 112.614 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -70.8 126.15 28.79 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.374 0.607 . . . . 50.02 111.412 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.66 102.21 5.27 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.413 -0.358 . . . . 61.23 111.14 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 18' ' ' MET . 0.0 OUTLIER -160.21 156.64 26.88 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.045 0.387 . . . . 71.54 112.045 178.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 52.98 26.6 4.85 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 112.916 0.71 . . . . 74.21 112.916 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.408 ' HA2' ' OD1' ' B' ' 32' ' ' ASN . . . 69.58 34.08 72.79 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.039 -0.6 . . . . 25.3 112.959 -177.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 35.0 mtp -57.41 -31.84 66.24 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.171 0.434 . . . . 71.02 112.171 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.8 p -58.46 -40.79 83.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.755 0.312 . . . . 72.51 111.488 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.35 -48.7 69.37 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.228 0.537 . . . . 64.42 110.662 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.482 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.9 pt20 -66.61 -37.66 85.35 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.73 -0.668 . . . . 73.53 111.329 -177.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.511 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 14.3 mm -61.74 -53.74 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 111.826 0.306 . . . . 70.5 111.826 -177.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.561 HG21 HG21 ' B' ' 23' ' ' THR . 6.2 m -72.94 -27.88 62.1 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.354 -0.539 . . . . 70.43 110.426 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.54 -50.24 66.79 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 121.139 -0.553 . . . . 33.41 112.164 172.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.541 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 94.6 t -59.19 -41.77 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.881 0.372 . . . . 52.32 111.289 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.498 HG21 HD13 ' A' ' 49' ' ' LEU . 67.0 mt -56.01 -43.96 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.229 -0.441 . . . . 61.12 111.786 176.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 m -53.35 -30.39 39.13 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.046 0.45 . . . . 73.4 111.841 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.541 ' HE3' ' HA ' ' A' ' 25' ' ' VAL . 5.5 mtmp? -81.18 -8.73 59.81 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.704 0.631 . . . . 65.3 112.704 -171.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -61.01 159.16 12.01 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.541 0.686 . . . . 73.43 112.81 -176.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.92 -8.18 34.59 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.341 -0.845 . . . . 64.33 111.8 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.4 t -113.21 168.54 9.63 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.312 0.577 . . . . 52.15 112.116 -174.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -98.8 131.52 44.86 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.061 -0.518 . . . . 73.34 111.453 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.71 108.64 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-O 120.839 0.352 . . . . 74.22 110.918 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -89.29 -33.44 16.94 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.241 0.543 . . . . 64.22 111.049 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 26.0 m -158.36 148.05 19.64 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.025 -0.534 . . . . 70.45 110.131 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.541 HG22 ' HB3' ' B' ' 38' ' ' LEU . 17.8 tt -159.03 140.82 4.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.04 0.448 . . . . 64.24 112.151 175.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.5 t -136.51 104.88 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 115.858 -0.61 . . . . 75.33 111.187 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.67 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.7 tt -113.71 118.58 34.73 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 122.099 -0.376 . . . . 72.42 110.359 176.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -140.97 138.48 33.79 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.2 0.524 . . . . 55.5 111.52 177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.25 141.99 32.34 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.605 0.595 . . . . 65.54 112.605 -175.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -155.4 143.17 19.8 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.602 -0.727 . . . . 73.33 110.523 178.281 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 60.04 27.6 17.03 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 113.137 0.791 . . . . 74.34 113.137 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.47 4.73 90.07 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.958 -0.639 . . . . 73.33 112.603 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -117.86 172.53 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.453 -0.573 . . . . 72.23 109.453 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.549 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 36.5 p90 -137.88 154.86 49.43 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.962 -0.461 . . . . 71.42 110.767 172.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 4.2 t -127.58 118.07 23.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.914 0.388 . . . . 75.32 110.852 174.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 52.2 t -109.25 102.99 11.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.261 -0.427 . . . . 65.31 111.643 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.499 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 14.3 m120 -82.99 106.28 14.68 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.881 0.472 . . . . 64.03 111.281 175.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.498 HD13 HG21 ' A' ' 26' ' ' ILE . 49.5 tp -98.63 137.63 36.99 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.78 0.324 . . . . 51.23 111.809 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.527 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 72.4 mmm -130.36 113.19 14.04 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.851 0.358 . . . . 65.44 111.61 176.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.22 167.48 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 116.347 -0.388 . . . . 73.02 111.92 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -97.17 139.54 32.99 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.875 0.369 . . . . 75.15 111.712 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.1 m -129.47 141.91 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-O 121.024 0.44 . . . . 62.43 111.794 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.592 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.4 ptpt -73.79 -20.27 60.52 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.396 0.517 . . . . 64.0 112.396 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.592 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.1 p30 -156.83 162.48 39.7 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 122.6 0.36 . . . . 71.22 110.087 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -74.45 -28.1 60.89 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.829 0.347 . . . . 65.1 111.756 -173.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.72 -35.53 80.86 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.632 0.73 . . . . 51.51 110.267 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 49.0 tptt -57.91 -39.25 77.48 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.275 -0.875 . . . . 75.23 111.137 173.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.455 HD13 ' HB1' ' A' ' 6' ' ' ALA . 53.9 tp -66.02 -48.86 69.75 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.857 0.361 . . . . 73.14 111.953 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.454 ' HA ' ' SD ' ' A' ' 63' ' ' MET . 5.1 t -67.64 -28.74 67.98 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.915 0.388 . . . . 74.31 111.435 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.8 m -60.39 -40.23 90.16 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.126 0.489 . . . . 71.42 110.657 172.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.73 -39.29 93.94 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.207 -0.451 . . . . 75.24 111.292 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.454 ' SD ' ' HA ' ' A' ' 60' ' ' THR . 50.0 mtt -52.67 -50.96 62.23 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.269 -0.423 . . . . 71.12 110.704 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.48 -48.77 79.68 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.312 -0.404 . . . . 75.55 110.822 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -51.29 -36.8 44.11 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.933 0.397 . . . . 74.05 111.687 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.685 HD13 HD11 ' A' ' 10' ' ' ILE . 57.9 mt -81.15 -28.3 35.11 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.163 0.506 . . . . 74.2 111.51 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 63' ' ' MET . 99.1 mtt180 -75.64 -7.69 54.93 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.315 -0.402 . . . . 74.43 111.969 177.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -71.4 -9.4 58.1 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.007 0.432 . . . . 62.23 110.946 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.23 115.76 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.884 0.373 . . . . 74.31 110.708 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -57.88 -30.49 65.89 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 112.781 0.66 . . . . 74.01 112.781 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.35 -18.06 79.49 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 121.002 -0.618 . . . . 70.32 114.193 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.3 t -89.32 139.73 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 121.899 -0.765 . . . . 73.21 111.363 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.97 -7.78 8.36 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.793 0.664 . . . . 62.14 112.793 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.641 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.7 p -138.39 125.23 21.09 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.074 0.464 . . . . 71.54 111.632 174.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.561 HG11 ' HB2' ' A' ' 66' ' ' LEU . 45.2 t -142.62 102.85 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 N-CA-C 109.512 -0.551 . . . . 75.2 109.512 171.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -131.8 167.41 19.6 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.073 0.463 . . . . 72.14 112.042 -173.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -80.21 143.94 33.35 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.067 0.46 . . . . 74.21 111.512 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' A' ' 9' ' ' ARG . 93.9 mt -88.97 102.17 14.81 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.975 0.417 . . . . 75.22 110.801 174.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.1 p -66.87 -48.4 68.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.161 0.505 . . . . 74.34 111.07 177.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -81.86 128.44 34.04 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.991 -0.55 . . . . 72.23 110.687 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.42 ' HB3' ' CD2' ' A' ' 83' ' ' HIS . 35.4 mt -130.42 120.13 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.418 0.628 . . . . 72.45 109.839 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 4.2 pm0 -78.09 27.63 0.19 Allowed 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.591 -0.731 . . . . 74.21 111.104 -177.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.42 ' CD2' ' HB3' ' A' ' 81' ' ' LEU . 14.5 m-70 -101.33 -8.5 22.02 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.883 -0.599 . . . . 71.23 111.805 -172.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -75.78 86.32 2.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.276 0.56 . . . . 71.34 111.078 -177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -139.85 -166.8 2.15 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.432 -0.803 . . . . 75.42 110.335 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -96.8 117.93 32.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.012 -0.366 . . . . 64.13 110.012 171.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -45.15 126.86 6.45 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.928 0.714 . . . . 65.34 112.928 -175.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 115.563 -0.744 . . . . 64.35 110.148 172.713 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.4 mmt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 120.635 0.255 . . . . 51.3 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 10.3 t -144.52 33.08 1.17 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.345 0.498 . . . . 72.21 112.345 -177.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 2.1 m-20 -47.24 113.0 0.6 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 120.743 0.306 . . . . 43.2 111.239 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -106.88 161.02 15.07 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.185 0.517 . . . . 72.51 110.991 -173.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.2 tp -80.08 112.24 17.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.916 -0.584 . . . . 53.4 111.082 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -109.61 150.68 27.86 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.789 -0.641 . . . . 71.01 111.496 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.42 144.24 17.54 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 121.387 -0.435 . . . . 64.43 112.821 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.585 HD12 HD23 ' B' ' 49' ' ' LEU . 54.0 mt -129.44 147.22 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 120.788 0.328 . . . . 70.22 110.751 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.571 ' HB3' ' HB2' ' B' ' 76' ' ' GLU . 47.3 ttt180 -126.77 118.88 25.58 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.776 0.322 . . . . 75.24 110.841 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.562 HD11 HD13 ' B' ' 66' ' ' LEU . 40.5 mt -112.23 117.62 55.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.528 -0.306 . . . . 72.33 111.247 -177.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.594 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 61.1 t -119.66 117.36 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-O 121.546 0.689 . . . . 64.2 111.561 177.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.82 171.69 25.33 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-N 115.616 -0.72 . . . . 64.11 112.407 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.82 138.94 55.18 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.029 0.442 . . . . 61.5 111.9 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -73.96 82.05 1.7 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.254 0.549 . . . . 73.55 111.647 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -90.97 160.71 15.5 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.618 0.723 . . . . 73.32 112.657 172.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.551 HD22 ' N ' ' B' ' 16' ' ' ASN . 0.1 OUTLIER -72.61 48.14 0.19 Allowed 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.914 -1.039 . . . . 72.12 112.961 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.06 -26.42 0.1 OUTLIER Glycine 0 CA--C 1.528 0.883 0 CA-C-N 116.291 -0.413 . . . . 52.01 113.069 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.517 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 53.0 mmm -53.29 -50.93 63.87 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.926 0.713 . . . . 72.23 112.926 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 65.6 p -57.28 -32.44 66.63 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 111.962 0.356 . . . . 61.45 111.962 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -76.43 -43.27 40.88 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.097 0.475 . . . . 74.01 111.384 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.517 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.6 pt20 -72.37 -35.53 68.51 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.401 -0.363 . . . . 74.43 111.613 -177.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.428 ' O ' HG13 ' B' ' 26' ' ' ILE . 15.5 mm -60.93 -54.57 33.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 112.156 0.428 . . . . 72.33 112.156 -176.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.561 HG21 HG21 ' A' ' 23' ' ' THR . 2.9 m -73.62 -29.14 62.18 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.209 0.528 . . . . 73.3 110.579 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.72 -43.23 98.01 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.992 -0.549 . . . . 44.34 112.624 174.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.559 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . 80.7 t -69.48 -37.89 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 O-C-N 122.621 -0.341 . . . . 71.01 111.32 176.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.428 HG13 ' O ' ' B' ' 22' ' ' ILE . 70.6 mt -56.03 -45.54 80.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.881 0.372 . . . . 75.34 111.807 176.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 85.6 p -58.66 -22.25 56.34 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.192 0.442 . . . . 73.21 112.192 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' B' ' 25' ' ' VAL . 45.2 mtmt -81.07 0.18 37.13 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.373 0.509 . . . . 73.34 112.373 -178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -71.09 156.76 39.22 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 120.95 0.405 . . . . 71.45 111.468 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.27 -20.76 66.2 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.191 0.52 . . . . 64.21 111.468 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . 0.435 HG21 HD13 ' B' ' 51' ' ' ILE . 7.0 t -92.98 161.34 14.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.993 -0.549 . . . . 52.11 112.201 -174.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.408 ' OD1' ' HA2' ' A' ' 17' ' ' GLY . 42.1 t30 -99.84 129.59 45.95 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.904 -0.589 . . . . 63.11 110.936 -178.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.521 ' HA ' HG22 ' B' ' 51' ' ' ILE . 73.0 mt -67.03 126.86 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.206 0.527 . . . . 61.42 111.08 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -103.27 -31.6 10.0 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.353 0.596 . . . . 73.54 110.201 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 53.7 m -154.79 132.04 11.07 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.562 -0.745 . . . . 63.33 110.392 174.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.67 HG22 ' HB3' ' A' ' 38' ' ' LEU . 10.4 tp -139.17 128.02 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 121.218 0.532 . . . . 70.04 110.628 176.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 57.6 t -128.35 143.8 39.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.422 -0.353 . . . . 63.2 110.704 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.541 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.3 tt -144.29 128.19 17.4 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.575 0.226 . . . . 55.14 110.501 176.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -143.91 145.5 32.32 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.738 0.304 . . . . 75.14 110.998 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -111.33 121.44 45.25 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.29 0.567 . . . . 62.43 111.657 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -138.4 150.26 46.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.517 -0.765 . . . . 52.35 109.92 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 59.88 20.01 8.96 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.855 0.36 . . . . 54.42 111.788 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.04 4.7 90.49 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 121.208 -0.52 . . . . 61.4 113.13 -175.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.7 mt -119.77 164.6 15.98 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 N-CA-C 109.447 -0.575 . . . . 72.05 109.447 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 18.2 p90 -125.33 150.9 46.72 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.735 -0.603 . . . . 44.45 110.773 175.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.404 ' HB ' HG22 ' B' ' 11' ' ' VAL . 3.6 t -128.32 125.62 39.13 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.046 0.45 . . . . 65.52 110.794 174.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.663 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.9 t -112.7 126.03 54.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.152 -0.476 . . . . 72.12 111.598 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -101.81 106.3 17.26 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.532 0.333 . . . . 74.24 110.782 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.585 HD23 HD12 ' B' ' 8' ' ' ILE . 56.8 tp -100.55 121.44 41.6 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.969 0.414 . . . . 62.2 111.977 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.413 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.0 mmm -115.99 109.03 17.0 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.863 0.363 . . . . 63.33 111.159 177.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.521 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -143.61 160.97 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 116.229 -0.441 . . . . 72.33 111.957 -176.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -89.18 139.19 30.73 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.901 0.381 . . . . 73.21 111.689 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 13.7 m -131.0 141.8 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-O 121.005 0.431 . . . . 54.25 111.639 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.528 ' HE2' ' ND2' ' B' ' 55' ' ' ASN . 21.4 ptmt -64.21 -40.48 96.16 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.112 -0.495 . . . . 61.44 111.973 175.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.528 ' ND2' ' HE2' ' B' ' 54' ' ' LYS . 89.6 m-20 -139.77 162.56 34.83 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.18 0.514 . . . . 63.11 111.894 -174.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 77.8 p -63.79 -40.53 96.89 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.874 -0.603 . . . . 74.3 111.221 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.7 -40.94 96.81 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.31 0.576 . . . . 62.23 111.183 176.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -56.62 -39.79 74.24 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.822 -0.627 . . . . 53.43 110.668 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.86 -47.66 74.16 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.271 -0.422 . . . . 71.42 111.216 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' B' ' 63' ' ' MET . 69.1 p -64.59 -27.71 69.13 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.992 0.425 . . . . 51.23 111.307 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 99.3 m -66.57 -39.75 88.63 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.903 0.382 . . . . 70.23 111.234 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.23 -36.83 78.61 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.929 0.395 . . . . 52.41 110.579 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.412 ' HA ' HG11 ' B' ' 75' ' ' VAL . 61.7 mtt -56.11 -46.57 79.07 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.081 -0.508 . . . . 75.31 110.64 174.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.512 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 31.3 t70 -55.74 -50.11 71.27 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.947 -0.57 . . . . 71.21 111.006 177.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -57.47 -45.96 84.21 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.208 0.528 . . . . 63.13 111.876 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.562 HD13 HD11 ' B' ' 10' ' ' ILE . 56.1 mt -72.78 -30.43 64.09 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.27 0.557 . . . . 60.21 111.55 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 67' ' ' ARG . 46.2 ttm180 -71.89 -13.25 61.6 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.036 -0.529 . . . . 70.51 111.869 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 74.7 mmtt -72.29 -15.45 61.9 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 111.988 0.366 . . . . 71.13 111.988 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 49.0 t -80.82 117.82 27.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 120.822 0.344 . . . . 71.11 111.594 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -56.54 -31.31 64.02 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.447 0.536 . . . . 52.15 112.447 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.487 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -69.09 -21.4 75.53 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 121.293 -0.48 . . . . 73.22 113.774 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -95.34 141.63 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 117.214 0.507 . . . . 73.5 111.267 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.78 -14.39 7.69 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.457 0.539 . . . . 64.15 112.457 176.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.594 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.0 OUTLIER -130.31 128.56 41.76 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.12 0.486 . . . . 74.25 111.559 175.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.412 HG11 ' HA ' ' B' ' 63' ' ' MET . 25.9 t -128.25 105.33 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 109.622 -0.511 . . . . 74.54 109.622 173.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' B' ' 9' ' ' ARG . 43.5 mt-10 -118.32 164.64 14.91 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.395 0.617 . . . . 72.32 112.654 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -101.87 141.7 34.32 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.79 -0.641 . . . . 54.34 110.751 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -96.13 106.53 18.72 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.036 0.446 . . . . 64.14 110.706 176.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 83.6 p -81.93 -56.95 3.64 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.0 0.429 . . . . 71.14 111.967 -178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -77.29 100.05 5.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.022 0.439 . . . . 75.53 111.357 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.0 mt -96.87 149.91 21.33 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.319 0.58 . . . . 61.54 112.197 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -105.42 30.41 5.71 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.874 -0.603 . . . . 63.02 111.65 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -92.03 -5.78 52.29 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.959 0.725 . . . . 61.41 112.959 -173.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -149.26 159.67 44.06 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.586 0.231 . . . . 53.51 110.764 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -61.02 119.08 7.62 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.082 0.468 . . . . 52.32 111.506 -172.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -127.67 125.29 39.82 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.945 0.402 . . . . 64.13 111.557 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -75.38 142.89 43.02 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.315 -0.402 . . . . 75.22 111.434 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.592 -0.718 . . . . 72.41 111.398 175.777 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 120.766 0.317 . . . . 73.43 111.261 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 t -126.54 85.49 2.39 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 121.619 0.723 . . . . 65.32 112.308 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.98 142.36 52.84 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.899 -0.592 . . . . 75.02 110.917 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -119.14 153.94 34.06 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.219 0.533 . . . . 74.15 111.09 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -78.08 103.68 8.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.918 -0.583 . . . . 75.2 111.215 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.22 158.69 15.32 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.903 -0.59 . . . . 71.31 111.43 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.91 151.0 20.08 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 121.056 -0.592 . . . . 54.4 113.469 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 mt -136.91 146.04 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 122.984 0.514 . . . . 70.32 110.506 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.499 ' HB2' HD21 ' A' ' 78' ' ' LEU . 59.2 ttt180 -122.18 131.42 53.94 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 122.025 -0.422 . . . . 60.14 110.947 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 46' ' ' THR . 31.8 mt -120.72 117.51 53.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 116.242 -0.435 . . . . 64.22 111.247 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.59 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 73.3 t -118.01 116.93 53.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.686 0.755 . . . . 75.34 111.122 175.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.01 167.76 25.56 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.373 -0.831 . . . . 71.3 112.412 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.45 139.79 57.99 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.025 0.441 . . . . 64.03 111.738 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.41 75.16 3.97 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.346 0.593 . . . . 71.53 111.778 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -88.42 154.42 20.39 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.096 0.474 . . . . 72.4 112.174 170.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -46.98 -38.84 11.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.445 -0.798 . . . . 62.54 112.962 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.77 -12.65 34.28 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.912 -0.661 . . . . 43.22 114.142 -176.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.551 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 56.0 mmm -69.75 -51.83 30.64 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 117.841 0.82 . . . . 63.13 112.704 -173.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.4 p -59.78 -33.94 72.36 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.042 0.449 . . . . 74.22 111.387 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.517 ' HA ' HD12 ' B' ' 33' ' ' ILE . 1.9 m-20 -76.39 -48.63 19.16 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.074 0.464 . . . . 75.31 110.908 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.551 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.2 pt20 -67.25 -35.64 79.96 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.375 -0.375 . . . . 73.12 111.738 -176.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.1 mm -63.56 -54.31 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 112.28 0.474 . . . . 72.11 112.28 -177.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.3 m -71.01 -27.45 63.7 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.261 0.553 . . . . 75.13 110.257 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.498 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -62.94 -49.65 70.47 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.168 -0.539 . . . . 72.45 112.265 172.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.513 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 54.2 t -59.42 -36.35 63.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 O-C-N 122.556 -0.379 . . . . 62.24 111.372 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 49' ' ' LEU . 75.2 mt -60.36 -44.89 96.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.286 -0.416 . . . . 75.53 111.604 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.4 p -63.39 -24.94 68.06 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.08 0.467 . . . . 40.03 111.022 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 54.4 mtpt -77.68 -4.74 47.65 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.052 -0.522 . . . . 73.41 111.812 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -65.48 166.51 10.24 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.963 0.887 . . . . 74.11 113.388 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.84 34.08 0.66 Allowed 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 114.616 -1.174 . . . . 73.23 110.898 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.9 t -151.88 149.22 28.72 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.343 -0.389 . . . . 73.43 111.135 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.405 HD22 ' NH1' ' A' ' 34' ' ' ARG . 8.0 t30 -90.31 127.74 36.25 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.04 0.448 . . . . 73.52 111.181 -177.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.416 ' HA ' HG22 ' A' ' 51' ' ' ILE . 66.8 mt -63.03 123.16 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 112.34 0.496 . . . . 71.25 112.34 -175.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.405 ' NH1' HD22 ' A' ' 32' ' ' ASN . 28.1 mmt180 -96.87 -39.29 9.47 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.245 0.545 . . . . 73.45 110.598 176.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.548 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 24.8 m -149.79 146.1 26.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.999 -0.546 . . . . 74.42 110.19 172.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.584 HG22 ' HB3' ' B' ' 38' ' ' LEU . 19.3 tt -157.88 131.63 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.085 0.469 . . . . 73.5 111.726 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.627 HG13 HG22 ' B' ' 37' ' ' VAL . 62.1 t -133.64 104.82 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 116.332 -0.394 . . . . 72.52 111.726 -178.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.573 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.0 tt -104.72 116.58 32.27 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.771 -0.455 . . . . 70.21 109.771 174.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -128.73 128.9 44.95 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.901 0.382 . . . . 61.43 111.321 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -96.77 109.95 22.52 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.029 0.442 . . . . 72.05 111.247 177.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.708 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -123.93 141.06 52.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.062 -0.517 . . . . 73.44 110.603 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 64.24 6.81 3.15 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.622 0.601 . . . . 51.22 112.622 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.74 7.5 50.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 121.174 -0.536 . . . . 64.43 113.544 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.5 mt -131.89 149.83 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 122.331 -0.511 . . . . 53.32 110.02 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.533 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 39.1 p90 -114.51 146.22 40.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.027 0.441 . . . . 43.34 111.634 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 2.1 t -122.99 102.61 8.1 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.874 -0.603 . . . . 74.21 111.058 174.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 38' ' ' LEU . 42.2 t -91.32 111.29 22.71 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.025 0.441 . . . . 72.43 111.303 177.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.3 m-20 -97.47 111.2 23.56 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.207 -0.451 . . . . 62.54 111.14 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD13 HG21 ' A' ' 26' ' ' ILE . 57.7 tp -98.65 138.09 36.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.921 0.391 . . . . 70.43 111.783 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.548 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.5 mmm -131.38 114.22 14.71 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.392 -0.367 . . . . 71.53 111.126 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.416 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.6 pp -145.48 162.16 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 122.569 0.347 . . . . 71.24 111.876 -176.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -89.6 139.88 30.1 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.87 0.367 . . . . 73.31 111.869 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.5 m -135.96 152.38 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 116.1 -0.5 . . . . 62.34 110.776 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -84.4 -32.36 24.19 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.919 0.39 . . . . 75.21 111.77 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.529 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 79.0 m-20 -131.39 155.67 46.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.329 -0.396 . . . . 74.54 111.374 -176.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.6 p -72.84 -30.62 64.16 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 122.18 -0.325 . . . . 74.45 111.108 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.11 -32.49 74.08 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.755 0.788 . . . . 71.22 109.814 175.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 51.5 tptt -61.87 -47.32 85.53 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.917 -1.038 . . . . 75.25 110.812 172.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.43 -47.34 86.53 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.141 -0.481 . . . . 74.25 111.748 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.5 p -62.1 -27.33 68.84 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.688 0.28 . . . . 72.43 111.58 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.0 m -61.96 -42.97 99.73 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.053 0.454 . . . . 63.22 111.219 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.5 -39.48 91.14 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.322 -0.399 . . . . 62.12 111.189 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.4 mtt -52.98 -51.07 62.79 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.139 0.495 . . . . 73.54 110.735 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.98 -47.11 81.58 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.742 -0.663 . . . . 71.44 111.132 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.434 ' NZ ' ' HB3' ' A' ' 65' ' ' LYS . 8.6 mtpm? -58.16 -34.23 70.08 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.12 -0.491 . . . . 70.5 111.866 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.404 HD13 HD11 ' A' ' 10' ' ' ILE . 60.3 mt -79.38 -33.47 42.79 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.129 0.49 . . . . 62.42 111.488 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' HE ' ' HB ' ' A' ' 75' ' ' VAL . 99.2 mtt180 -70.37 -6.5 35.86 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.139 -0.482 . . . . 71.15 112.213 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -71.11 -17.09 62.59 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.68 0.276 . . . . 73.42 111.298 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -86.61 122.52 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-O 121.189 0.519 . . . . 61.3 112.204 -172.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -53.1 -39.96 63.77 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.267 0.84 . . . . 73.44 113.267 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.38 -18.36 79.3 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 121.073 -0.584 . . . . 65.25 114.495 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.459 HG23 ' HE1' ' A' ' 18' ' ' MET . 61.1 t -89.73 139.08 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 117.667 0.734 . . . . 73.31 111.799 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -121.64 -12.02 8.56 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.51 0.559 . . . . 64.14 112.51 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.59 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 2.8 p -134.09 123.14 23.97 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 120.999 0.428 . . . . 62.2 111.623 174.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.417 ' HB ' ' HE ' ' A' ' 67' ' ' ARG . 45.1 t -134.23 104.82 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 109.625 -0.509 . . . . 75.54 109.625 172.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -129.33 170.03 14.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.021 0.438 . . . . 72.53 112.075 -171.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -92.31 133.95 35.37 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.465 -0.334 . . . . 72.31 111.427 176.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 9' ' ' ARG . 95.4 mt -83.87 95.34 8.45 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.461 -0.57 . . . . 72.31 109.461 170.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 75.3 p -84.0 -53.42 5.57 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.989 0.424 . . . . 74.32 111.586 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.422 HD22 ' C ' ' A' ' 80' ' ' ASN . 0.2 OUTLIER -69.43 97.13 0.95 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.252 0.549 . . . . 71.33 110.493 178.364 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 83' ' ' HIS . 77.1 mt -106.86 150.96 25.84 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.062 -0.517 . . . . 72.45 112.023 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -130.13 28.61 5.01 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.073 -0.512 . . . . 53.13 111.316 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.428 ' HD2' ' HB3' ' A' ' 81' ' ' LEU . 28.5 m-70 -70.86 90.74 0.81 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.189 0.518 . . . . 60.42 111.393 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -127.59 97.61 4.92 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.962 -0.563 . . . . 63.22 110.996 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -100.61 150.07 23.09 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.034 -0.53 . . . . 75.02 110.671 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -56.4 108.41 0.48 Allowed 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 120.954 0.407 . . . . 74.35 110.522 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -124.63 170.92 10.47 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.149 0.5 . . . . 70.52 111.878 -174.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.666 -0.697 . . . . 71.12 111.439 171.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.5 mtm . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.648 0.261 . . . . 73.45 111.055 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 88.8 m -125.54 109.4 12.63 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.807 0.337 . . . . 64.25 111.165 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -65.12 158.92 24.57 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.179 0.514 . . . . 65.21 112.217 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -139.04 153.78 48.13 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.922 0.392 . . . . 72.52 110.5 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 51.2 tp -75.54 105.7 6.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.286 0.565 . . . . 65.0 110.694 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.411 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -94.42 152.97 18.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.772 -0.649 . . . . 72.34 111.889 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.77 128.56 5.36 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.308 -0.472 . . . . 73.22 113.319 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' B' ' 48' ' ' ASN . 50.4 mt -115.63 147.23 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 122.562 0.345 . . . . 62.34 110.936 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -123.55 128.63 50.02 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.737 0.303 . . . . 54.0 110.994 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.924 HD11 HD13 ' B' ' 66' ' ' LEU . 51.6 mt -123.08 117.84 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 116.347 -0.388 . . . . 70.11 111.393 -178.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.598 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 70.5 t -118.81 117.71 55.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.643 0.735 . . . . 60.23 111.21 175.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.15 169.74 26.18 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.398 -0.819 . . . . 63.03 112.491 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.49 126.83 30.69 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.271 0.557 . . . . 72.53 111.655 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.04 114.22 4.01 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.985 0.422 . . . . 72.34 110.657 177.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.442 ' HB2' ' CG ' ' B' ' 18' ' ' MET . 22.4 mtpp -123.26 -177.38 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.508 0.671 . . . . 64.42 112.121 -177.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -46.82 -29.85 2.17 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.723 -1.126 . . . . 73.35 113.493 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.79 31.44 0.41 Allowed Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.807 -0.711 . . . . 73.13 113.515 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.487 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 30.3 mmm -73.6 -49.69 24.93 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 122.411 -0.464 . . . . 74.02 112.199 -177.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 73.4 p -58.99 -32.28 69.54 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.022 0.439 . . . . 71.44 111.298 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -76.45 -48.89 18.14 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.103 -0.499 . . . . 73.31 111.163 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.538 ' O ' HG23 ' B' ' 25' ' ' VAL . 8.7 pt20 -64.12 -39.64 94.46 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 116.617 -0.265 . . . . 71.53 111.272 -177.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.41 HD13 HG21 ' B' ' 69' ' ' VAL . 12.3 mm -60.69 -53.95 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.936 0.398 . . . . 62.0 111.881 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.419 ' HA ' HD12 ' B' ' 26' ' ' ILE . 6.3 m -70.18 -27.05 64.21 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.306 0.574 . . . . 53.45 110.367 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.534 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -61.92 -52.24 51.62 Favored Glycine 0 CA--C 1.527 0.832 0 CA-C-N 115.975 -0.557 . . . . 54.02 112.015 172.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 21' ' ' GLN . 90.8 t -55.85 -40.28 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 121.003 0.43 . . . . 64.32 110.904 175.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.452 ' CG2' HD13 ' B' ' 49' ' ' LEU . 57.9 mt -54.53 -47.2 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 CA-C-N 115.908 -0.587 . . . . 64.51 111.628 174.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 82.7 p -70.64 -21.47 62.62 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 120.743 0.306 . . . . 62.24 111.431 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 99.0 mttt -75.32 -6.65 51.0 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.268 0.47 . . . . 62.53 112.268 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -69.66 170.05 11.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.866 0.841 . . . . 73.13 112.733 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.39 -29.44 26.21 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.15 -0.932 . . . . 54.4 111.924 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.9 t -77.74 160.27 28.53 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.117 0.484 . . . . 40.32 112.109 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -94.32 124.35 38.29 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.976 0.417 . . . . 75.2 111.855 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.518 ' HA ' HG22 ' B' ' 51' ' ' ILE . 67.4 mt -67.12 112.86 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 116.127 -0.488 . . . . 74.33 111.571 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' B' ' 34' ' ' ARG . 0.1 OUTLIER -89.53 -32.6 17.09 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.337 0.589 . . . . 73.41 110.343 177.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 19.0 m -157.44 149.37 22.36 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.994 -0.548 . . . . 71.03 110.813 175.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.573 HG22 ' HB3' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -149.17 133.74 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 120.743 0.306 . . . . 75.33 110.309 172.424 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.627 HG22 HG13 ' A' ' 37' ' ' VAL . 62.5 t -133.76 105.75 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 120.776 0.322 . . . . 71.3 111.716 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.584 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.3 tt -113.48 133.17 55.36 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 122.334 0.253 . . . . 55.3 110.691 178.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -141.03 133.44 28.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.185 0.517 . . . . 72.42 111.302 172.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -105.09 127.56 52.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.252 0.548 . . . . 73.45 111.02 177.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.587 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -142.77 140.94 31.6 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.836 -0.62 . . . . 75.34 110.451 179.33 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 56.14 27.03 10.91 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.202 0.525 . . . . 72.01 111.864 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.68 5.75 81.15 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-N 116.207 -0.451 . . . . 73.41 114.172 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 mt -128.62 140.43 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 117.542 0.671 . . . . 64.22 111.282 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.573 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 38.6 p90 -110.81 146.85 35.69 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.915 0.388 . . . . 73.44 111.265 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.489 ' HB ' HG22 ' B' ' 11' ' ' VAL . 3.0 t -124.31 107.32 11.03 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.084 -0.507 . . . . 63.3 110.747 172.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' B' ' 36' ' ' ILE . 42.2 t -101.1 122.25 43.25 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.125 -0.488 . . . . 54.41 111.3 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' B' ' 8' ' ' ILE . 64.7 m-20 -105.22 117.66 34.58 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.79 0.329 . . . . 74.13 111.219 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' B' ' 26' ' ' ILE . 28.4 tp -98.96 126.93 44.77 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.922 0.391 . . . . 74.21 111.605 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.528 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 65.7 mmm -118.47 106.93 13.19 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.146 0.498 . . . . 72.41 111.386 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.518 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.2 pp -138.96 160.75 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 115.977 -0.556 . . . . 43.22 111.506 -177.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.25 132.35 36.18 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.928 0.394 . . . . 65.24 111.611 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.1 m -126.78 145.78 33.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 116.118 -0.492 . . . . 63.01 110.894 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -81.13 -18.35 46.73 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.881 0.372 . . . . 74.22 111.597 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -158.44 164.94 35.76 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.111 -0.495 . . . . 70.22 111.064 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 81.4 p -70.52 -30.68 67.51 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.231 0.456 . . . . 75.13 112.231 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -59.11 -41.26 87.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.0 0.429 . . . . 64.33 111.496 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -57.27 -51.15 70.51 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.084 0.469 . . . . 72.13 110.648 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.411 HD13 ' HB1' ' B' ' 6' ' ' ALA . 50.5 tp -57.23 -47.35 81.56 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.833 -0.621 . . . . 74.11 112.407 -177.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . 0.426 ' HA ' ' HG3' ' B' ' 63' ' ' MET . 9.2 t -73.46 -29.44 62.54 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.182 0.438 . . . . 72.31 112.182 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 97.3 m -63.67 -33.85 76.56 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.087 0.47 . . . . 71.34 110.508 173.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.55 -37.69 88.44 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.527 -0.306 . . . . 74.22 110.616 173.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.426 ' HG3' ' HA ' ' B' ' 60' ' ' THR . 50.0 mtt -53.99 -50.7 65.97 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.226 0.536 . . . . 74.32 109.803 173.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.15 -53.66 50.28 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.459 -0.791 . . . . 72.25 111.95 176.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -58.09 -36.28 72.62 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.128 0.418 . . . . 62.32 112.128 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.924 HD13 HD11 ' B' ' 10' ' ' ILE . 63.5 mt -81.57 -25.81 35.5 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.981 0.419 . . . . 74.34 111.365 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' B' ' 67' ' ' ARG . 37.0 ttm180 -73.68 -14.33 61.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.852 0.358 . . . . 74.32 111.774 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -72.4 -3.92 27.0 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.1 0.408 . . . . 75.21 112.1 -177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.442 HG12 ' H ' ' B' ' 71' ' ' GLY . 88.7 t -85.91 126.58 40.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 121.214 0.53 . . . . 71.0 111.378 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.22 -31.42 69.03 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.036 0.754 . . . . 72.05 113.036 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.442 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -79.05 -12.92 83.58 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 121.063 -0.589 . . . . 53.21 114.414 -175.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 59.8 t -92.02 142.7 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 117.694 0.747 . . . . 72.02 112.225 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -127.68 -4.2 5.91 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.562 0.579 . . . . 55.4 112.562 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.598 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.2 p -137.78 129.09 27.81 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 122.021 -0.424 . . . . 72.41 111.474 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 t -141.76 106.5 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 109.568 -0.53 . . . . 72.32 109.568 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -143.07 160.08 41.06 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.733 0.642 . . . . 70.12 112.733 -169.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -87.62 120.02 28.51 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.215 -0.448 . . . . 74.0 111.381 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.3 -40.69 78.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.209 -0.45 . . . . 63.41 111.25 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 47.7 m 69.84 -71.49 0.12 Allowed 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.635 -0.711 . . . . 73.44 112.565 173.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -81.11 130.61 35.1 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.77 0.319 . . . . 75.41 110.556 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.4 mt -126.26 142.93 51.33 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.29 0.478 . . . . 72.22 112.29 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.428 ' HB3' ' CD2' ' B' ' 88' ' ' HIS . 13.0 pt-20 -102.13 22.27 13.47 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.418 0.628 . . . . 54.22 111.081 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -72.63 177.5 4.69 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.901 -0.591 . . . . 63.53 111.122 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 33.4 m170 61.73 32.01 18.39 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.819 0.343 . . . . 74.24 111.165 -173.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 67.4 20.71 9.87 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.207 0.527 . . . . 74.32 111.801 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -90.77 43.65 1.16 Allowed 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.295 0.569 . . . . 72.41 111.44 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.418 ' HA ' ' HB2' ' B' ' 82' ' ' GLU . 81.1 t60 -60.32 131.76 51.8 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.977 0.418 . . . . 74.22 112.02 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' B' ' 82' ' ' GLU . 15.6 p80 . . . . . 0 C--O 1.251 1.17 0 CA-C-N 116.277 -0.419 . . . . 72.22 111.825 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 120.627 0.251 . . . . 71.41 111.275 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 t -100.3 88.43 3.68 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.468 0.651 . . . . 73.03 111.476 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.19 141.01 38.94 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.044 -0.526 . . . . 74.31 110.851 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -121.5 155.88 34.0 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.116 0.484 . . . . 74.21 110.379 177.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.7 tp -78.78 105.89 10.39 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.476 . . . . 73.41 111.377 -178.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.49 143.68 32.4 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.932 -0.576 . . . . 70.21 111.506 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.83 144.17 18.13 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 121.158 -0.544 . . . . 71.03 112.945 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.671 HD12 HD23 ' A' ' 49' ' ' LEU . 46.2 mt -131.83 145.2 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.809 0.444 . . . . 75.22 110.282 177.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.492 ' HB2' HD21 ' A' ' 78' ' ' LEU . 73.3 ttt180 -128.83 128.03 43.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.942 0.401 . . . . 42.11 111.18 175.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.473 HD11 HD13 ' A' ' 66' ' ' LEU . 14.8 mt -117.17 117.13 54.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 115.878 -0.601 . . . . 74.14 110.926 -178.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.603 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 73.6 t -117.41 108.41 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 121.701 0.763 . . . . 51.44 111.277 175.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.12 158.68 23.69 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.139 -0.937 . . . . 70.32 111.841 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.56 133.4 43.54 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 117.367 0.584 . . . . 64.31 111.631 -176.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.77 106.26 3.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.187 0.518 . . . . 54.53 111.241 -177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 18' ' ' MET . 22.3 ptmt -156.69 141.73 17.19 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.336 -0.393 . . . . 74.2 112.042 -178.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.648 HD22 ' N ' ' A' ' 16' ' ' ASN . 0.7 OUTLIER 60.66 11.06 2.9 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.764 0.653 . . . . 62.15 112.764 171.693 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.92 34.43 8.95 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 121.034 -0.603 . . . . 51.12 113.014 -177.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 15' ' ' LYS . 45.1 mtp -59.14 -40.01 84.15 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.565 -0.374 . . . . 72.33 111.822 178.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.4 p -55.01 -34.83 63.8 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.871 0.367 . . . . 74.21 111.665 177.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.563 ' O ' ' HB2' ' B' ' 27' ' ' SER . 15.6 m120 -76.06 -49.37 17.68 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.314 -0.403 . . . . 73.02 110.957 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.561 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 10.1 pt20 -64.92 -42.59 94.58 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.768 0.318 . . . . 71.04 111.27 -178.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 13.1 mm -58.03 -53.87 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 112.198 0.444 . . . . 74.33 112.198 -177.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.425 ' O ' ' HB ' ' A' ' 26' ' ' ILE . 7.0 m -70.45 -26.07 63.48 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.221 0.534 . . . . 72.11 110.299 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.0 -43.21 99.48 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.084 -0.579 . . . . 61.32 112.362 170.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 21' ' ' GLN . 88.8 t -62.9 -35.35 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.945 0.402 . . . . 61.3 110.85 175.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.715 HD12 HD22 ' A' ' 49' ' ' LEU . 47.5 mm -51.76 -46.17 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 116.057 -0.519 . . . . 75.25 111.752 176.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.4 p -64.59 -22.89 67.09 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.86 0.362 . . . . 64.25 111.373 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -86.13 20.26 2.38 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 111.877 0.325 . . . . 71.42 111.877 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.446 ' CG ' HD22 ' A' ' 62' ' ' LEU . 21.3 m-30 -97.24 -4.77 38.28 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.674 0.62 . . . . 70.23 112.674 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.8 t70 69.42 -2.09 2.0 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 112.166 0.432 . . . . 65.31 112.166 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.9 t -100.5 155.1 18.03 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 122.038 -0.414 . . . . 52.13 112.035 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.451 ' O ' HG22 ' A' ' 51' ' ' ILE . 27.0 t-20 -80.5 123.57 28.19 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.941 0.4 . . . . 72.05 111.757 -177.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.506 ' HA ' HG22 ' A' ' 51' ' ' ILE . 68.6 mt -74.94 106.61 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 116.253 -0.43 . . . . 74.32 111.456 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.19 -35.39 21.69 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.015 0.436 . . . . 73.51 110.459 177.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.559 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 5.8 m -153.94 146.97 24.53 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.957 -0.565 . . . . 75.14 110.705 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.592 HG22 ' HB3' ' B' ' 38' ' ' LEU . 16.7 tt -157.12 133.26 1.9 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 120.863 0.364 . . . . 63.23 111.205 172.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.509 HG22 HG13 ' B' ' 37' ' ' VAL . 59.0 t -135.34 105.19 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 120.907 0.384 . . . . 73.32 111.543 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.63 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.4 tt -109.03 119.36 39.33 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.969 -0.382 . . . . 63.4 109.969 176.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -131.55 133.45 45.06 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.939 0.399 . . . . 74.25 111.019 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.71 117.04 34.01 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.22 0.533 . . . . 75.11 111.592 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HG2' ' OD2' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -141.09 153.65 45.55 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.888 -0.597 . . . . 72.1 109.68 176.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' OD2' ' HG2' ' A' ' 41' ' ' LYS . 32.1 m-20 64.09 11.43 6.18 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.763 0.316 . . . . 54.24 111.528 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.53 2.24 76.58 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 121.65 -0.31 . . . . 71.51 113.216 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.6 mt -125.39 150.49 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 122.541 0.336 . . . . 72.11 110.738 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.541 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 43.4 p90 -115.04 143.62 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.243 0.544 . . . . 71.51 111.481 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 1.8 t -118.32 100.37 7.45 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.781 -0.645 . . . . 51.12 111.002 176.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.3 t -88.06 108.39 19.21 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.016 0.436 . . . . 63.45 111.461 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.457 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.1 m-20 -94.38 110.8 22.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.294 -0.412 . . . . 74.53 111.185 177.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.715 HD22 HD12 ' A' ' 26' ' ' ILE . 48.3 tp -98.14 134.23 41.48 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.916 0.389 . . . . 72.22 111.761 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.559 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 70.6 mmm -127.92 108.68 10.89 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.059 0.457 . . . . 70.01 111.164 176.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.506 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -141.07 168.0 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.154 -0.475 . . . . 61.4 111.747 -175.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -96.18 138.26 34.05 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.891 0.377 . . . . 73.21 111.535 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.4 m -132.26 142.35 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.944 0.402 . . . . 53.54 111.417 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -61.86 -41.42 97.82 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.203 0.525 . . . . 61.24 111.876 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -149.49 171.59 16.35 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.324 -0.398 . . . . 60.12 111.353 -176.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.8 p -71.31 -25.59 62.49 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.55 0.574 . . . . 61.23 112.55 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.11 -40.4 90.68 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.406 0.622 . . . . 74.22 110.229 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -58.17 -41.17 83.26 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.497 -0.774 . . . . 62.43 110.791 173.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.6 tp -65.32 -48.0 74.6 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.283 -0.417 . . . . 75.33 111.501 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.6 p -65.09 -27.98 69.14 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.684 0.278 . . . . 70.33 111.182 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.5 m -63.59 -42.75 98.25 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.966 0.412 . . . . 60.52 110.735 175.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.446 HD22 ' CG ' ' A' ' 29' ' ' PHE . 12.2 mt -63.98 -50.15 69.71 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.373 -0.376 . . . . 63.02 111.109 178.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.411 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 75.7 mtm -58.79 -34.69 71.77 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.479 -0.328 . . . . 63.21 111.359 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -63.75 -48.16 78.1 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.966 0.412 . . . . 75.34 110.774 174.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -55.85 -33.97 65.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.077 -0.51 . . . . 63.51 111.571 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.473 HD13 HD11 ' A' ' 10' ' ' ILE . 59.1 mt -78.64 -36.92 43.25 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.109 -0.496 . . . . 63.41 111.91 177.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 63' ' ' MET . 97.7 mtt180 -67.08 -7.45 23.06 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.758 0.651 . . . . 72.44 112.758 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -75.21 -12.41 60.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.429 0.529 . . . . 75.12 112.429 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 63.4 t -82.35 115.51 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.037 0.446 . . . . 72.41 111.555 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -59.06 -31.34 68.78 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.569 0.581 . . . . 64.32 112.569 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.528 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -74.09 -17.7 79.56 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 120.829 -0.7 . . . . 71.34 113.628 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -92.18 137.62 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 122.196 -0.591 . . . . 74.02 111.279 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -122.6 -2.51 8.88 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.757 0.651 . . . . 70.31 112.757 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.603 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 5.1 p -143.42 123.27 13.45 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.892 0.377 . . . . 75.15 111.446 173.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.433 HG11 ' HB2' ' A' ' 66' ' ' LEU . 26.4 t -139.27 102.78 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 109.438 -0.579 . . . . 73.31 109.438 171.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -133.79 162.12 32.86 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.517 -0.31 . . . . 72.02 111.441 -173.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -74.5 143.6 44.51 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.934 0.397 . . . . 74.12 111.512 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 9' ' ' ARG . 64.9 mt -89.51 119.34 29.86 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.756 0.312 . . . . 73.21 111.683 176.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.3 t -92.68 -14.04 28.6 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.441 0.639 . . . . 72.23 110.529 173.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -110.73 109.99 20.46 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.044 -0.526 . . . . 54.53 110.611 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.442 HD22 ' SD ' ' A' ' 50' ' ' MET . 36.7 mt -112.8 172.55 6.86 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.122 0.487 . . . . 72.55 111.793 -176.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.51 15.29 12.01 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 112.696 0.628 . . . . 72.15 112.696 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.425 ' HD2' ' HB3' ' A' ' 81' ' ' LEU . 22.7 m-70 -79.53 129.8 34.8 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 122.292 -0.255 . . . . 75.22 111.125 -176.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 60.87 15.96 6.45 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 122.645 0.378 . . . . 75.44 111.768 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -80.37 140.44 36.07 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.058 0.456 . . . . 70.34 111.298 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -108.46 125.15 51.45 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.142 0.496 . . . . 65.52 111.275 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -69.59 113.29 6.73 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.16 -0.473 . . . . 74.31 111.6 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.97 -0.538 . . . . 72.34 111.016 176.013 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 110.627 -0.138 . . . . 71.32 110.627 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 80.7 m -79.32 70.51 5.75 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.551 0.691 . . . . 74.33 110.126 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.493 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 7.4 m-20 -94.49 128.76 41.29 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.792 -0.64 . . . . 65.3 110.839 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -130.75 156.15 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.234 0.54 . . . . 74.24 110.566 176.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 56.3 tp -81.62 105.7 12.98 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.78 -0.645 . . . . 74.2 110.532 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.498 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -93.18 147.24 23.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.112 -0.494 . . . . 73.02 111.846 -176.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' B' ' 49' ' ' LEU . . . -125.14 142.86 14.15 Favored Glycine 0 CA--C 1.524 0.62 0 CA-C-N 115.95 -0.568 . . . . 65.11 113.381 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.576 HD12 HD23 ' B' ' 49' ' ' LEU . 38.7 mt -128.08 140.36 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 122.689 0.396 . . . . 64.54 110.612 177.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.558 ' HB2' HD21 ' B' ' 78' ' ' LEU . 49.6 ttt180 -114.49 122.89 47.97 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.942 0.401 . . . . 74.52 111.182 173.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' B' ' 47' ' ' CYS . 28.2 mt -111.99 117.43 55.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.96 -0.564 . . . . 74.14 110.812 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.648 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 59.3 t -120.38 110.79 29.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-O 121.519 0.676 . . . . 75.22 111.023 175.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.58 161.42 23.99 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.384 -0.826 . . . . 63.2 112.395 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.95 149.58 48.68 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.778 0.659 . . . . 74.02 112.778 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -67.87 97.81 0.69 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.842 -0.617 . . . . 74.12 110.599 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.502 ' HB2' ' HB2' ' B' ' 18' ' ' MET . 58.3 mmtt -100.71 -178.9 3.92 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 122.172 0.987 . . . . 73.13 111.739 175.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.422 ' H ' ' ND2' ' B' ' 16' ' ' ASN . 23.0 m-80 -57.34 -46.48 83.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 113.802 -1.544 . . . . 75.53 111.625 173.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.29 25.35 2.18 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 120.756 -0.735 . . . . 73.41 114.351 -175.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.512 ' SD ' HG11 ' B' ' 69' ' ' VAL . 22.4 mmm -67.88 -50.47 56.21 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 117.502 0.651 . . . . 74.42 111.603 177.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 77.1 p -56.58 -32.26 65.04 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.068 0.461 . . . . 72.01 111.349 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -75.7 -48.26 22.7 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.06 -0.518 . . . . 72.33 110.938 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.562 ' O ' HG23 ' B' ' 25' ' ' VAL . 10.4 pt20 -67.73 -38.77 84.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.257 -0.429 . . . . 72.43 111.467 -178.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.551 ' O ' HG12 ' B' ' 26' ' ' ILE . 14.3 mm -59.87 -54.35 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 112.236 0.458 . . . . 65.1 112.236 -176.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.5 m -70.63 -26.52 63.51 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.235 0.54 . . . . 53.1 110.318 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.27 -41.4 99.73 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.961 -0.563 . . . . 73.11 111.96 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 21' ' ' GLN . 84.2 t -64.98 -41.05 91.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 120.956 0.408 . . . . 74.41 110.497 173.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.551 HG12 ' O ' ' B' ' 22' ' ' ILE . 50.4 mm -56.63 -45.69 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 121.059 0.457 . . . . 75.41 111.659 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . 0.563 ' HB2' ' O ' ' A' ' 20' ' ' ASN . 68.3 p -61.99 -41.27 97.86 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.385 -0.371 . . . . 63.1 111.783 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -87.75 15.15 7.31 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.191 0.441 . . . . 72.44 112.191 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . 0.415 ' HD1' ' HA ' ' B' ' 29' ' ' PHE . 0.4 OUTLIER -64.16 166.48 7.78 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 122.143 0.973 . . . . 75.21 113.09 177.758 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.79 35.26 0.67 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.39 -1.277 . . . . 71.24 111.604 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 10.2 t -155.89 167.2 31.17 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.022 -0.535 . . . . 65.14 110.848 173.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -93.81 126.78 39.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.965 0.412 . . . . 63.01 111.551 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.498 ' HA ' HG22 ' B' ' 51' ' ' ILE . 70.2 mt -66.97 127.97 29.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 116.238 -0.437 . . . . 43.11 111.235 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 34' ' ' ARG . 17.3 mmm180 -104.61 -38.01 6.9 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.542 0.687 . . . . 72.23 109.724 174.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.555 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 87.0 m -153.23 131.64 12.1 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.435 -0.802 . . . . 70.31 110.124 174.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.63 HG22 ' HB3' ' A' ' 38' ' ' LEU . 9.6 tp -134.96 132.42 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.026 0.441 . . . . 73.15 110.56 176.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.509 HG13 HG22 ' A' ' 37' ' ' VAL . 60.4 t -127.0 147.3 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.387 -0.369 . . . . 72.45 110.515 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.592 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.6 tt -144.7 114.58 7.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.506 -0.553 . . . . 75.23 109.506 172.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -119.33 107.32 13.24 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 111.575 0.213 . . . . 64.54 111.575 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -88.47 107.98 19.15 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.132 0.491 . . . . 33.23 110.207 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -128.98 152.2 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.004 -0.544 . . . . 74.05 110.457 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 62.61 -72.97 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.407 0.623 . . . . 74.52 111.26 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.66 19.18 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 CA-C-N 115.804 -0.634 . . . . 51.14 111.724 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 mt -141.59 157.59 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 123.087 0.555 . . . . 74.35 109.72 -176.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.521 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.1 p90 -119.65 136.22 54.49 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.929 0.395 . . . . 74.04 111.743 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.0 t -109.51 100.66 9.7 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.114 0.483 . . . . 71.03 110.744 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 42.5 t -92.27 116.88 29.35 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.261 -0.427 . . . . 61.51 111.22 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -104.51 112.08 25.0 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.667 0.27 . . . . 71.53 111.053 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.576 HD23 HD12 ' B' ' 8' ' ' ILE . 49.9 tp -98.41 131.38 44.73 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.874 0.369 . . . . 74.32 111.737 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.555 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 64.2 mmm -126.92 111.81 14.56 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.127 -0.488 . . . . 43.03 111.169 177.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.498 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.5 pp -143.96 159.36 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 116.218 -0.446 . . . . 63.53 111.612 -177.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -87.03 142.32 28.02 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.421 0.629 . . . . 54.34 112.363 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 21.4 m -141.1 160.6 22.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 115.58 -0.736 . . . . 72.41 110.592 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.588 ' H ' ' HD2' ' B' ' 54' ' ' LYS . 0.0 OUTLIER -99.04 -3.46 34.73 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.892 0.377 . . . . 73.52 111.495 177.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.632 HD22 ' N ' ' B' ' 55' ' ' ASN . 0.0 OUTLIER -172.49 164.65 5.63 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.657 0.383 . . . . 75.2 111.158 179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.401 ' O ' HG23 ' B' ' 60' ' ' THR . 76.8 p -73.05 -26.76 61.4 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.255 0.465 . . . . 54.32 112.255 -177.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.3 -37.14 86.44 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.584 0.706 . . . . 62.25 110.288 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -57.7 -42.68 84.21 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.442 -0.799 . . . . 53.13 110.649 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.501 HD21 ' HG3' ' B' ' 77' ' ' ARG . 54.7 tp -66.98 -44.12 81.25 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.712 -0.677 . . . . 72.43 111.781 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . 0.401 HG23 ' O ' ' B' ' 56' ' ' THR . 67.9 p -62.24 -28.05 69.42 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 122.291 -0.256 . . . . 74.12 111.517 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.476 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 81.9 m -60.09 -47.62 85.11 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.138 0.494 . . . . 62.54 110.564 177.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.12 -46.18 85.33 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.059 -0.518 . . . . 64.13 111.779 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 68.1 mtm -60.24 -33.77 72.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 111.619 0.229 . . . . 72.34 111.619 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 16.0 t70 -66.29 -45.42 80.49 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.892 0.377 . . . . 72.13 110.344 174.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' B' ' 61' ' ' THR . 57.3 mtpt -55.33 -35.73 65.49 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.975 -0.557 . . . . 65.23 111.324 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 66.2 mt -76.05 -41.28 51.21 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.951 -0.568 . . . . 74.51 111.867 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -63.62 -8.09 9.03 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.386 0.513 . . . . 74.23 112.386 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' B' ' 68' ' ' LYS . 0.0 OUTLIER -73.02 -13.5 61.23 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 112.164 0.431 . . . . 61.23 112.164 176.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.512 HG11 ' SD ' ' B' ' 18' ' ' MET . 62.5 t -89.89 121.78 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 O-C-N 122.086 -0.384 . . . . 70.32 111.695 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -57.66 -34.76 69.71 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.136 -0.484 . . . . 74.23 112.278 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.425 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -64.19 -25.81 69.97 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 114.085 0.394 . . . . 35.23 114.085 -177.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 59.3 t -89.84 141.17 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 117.009 0.405 . . . . 71.14 111.49 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.9 -22.05 7.49 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.288 0.477 . . . . 75.05 112.288 175.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.648 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.8 p -123.08 118.43 27.7 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.245 0.545 . . . . 72.11 111.782 176.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.8 t -133.35 104.35 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.149 -0.686 . . . . 54.11 109.149 169.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -137.45 162.52 33.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.238 0.542 . . . . 74.24 112.053 -173.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.501 ' HG3' HD21 ' B' ' 59' ' ' LEU . 14.1 ttp180 -86.07 133.03 33.92 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.83 -0.623 . . . . 74.55 112.147 -177.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' B' ' 9' ' ' ARG . 98.1 mt -85.27 111.38 19.81 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.127 0.489 . . . . 72.13 111.033 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 77.8 p -80.34 -66.61 0.86 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.118 0.485 . . . . 60.5 111.096 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -73.32 103.65 4.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.101 -0.5 . . . . 71.15 111.311 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' B' ' 83' ' ' HIS . 48.1 mt -90.97 144.86 25.23 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.196 0.522 . . . . 62.23 112.233 -177.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -84.59 3.88 34.76 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.956 -0.565 . . . . 73.44 111.295 176.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.404 ' NE2' ' HE2' ' B' ' 50' ' ' MET . 34.9 m-70 -74.6 -28.25 60.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.985 -0.552 . . . . 73.12 112.127 -173.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -78.44 85.17 4.55 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 109.458 -0.571 . . . . 54.42 109.458 170.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -72.97 71.55 1.08 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.329 0.585 . . . . 75.24 110.619 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -133.74 80.24 1.86 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.837 -0.619 . . . . 72.42 111.537 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -126.17 18.95 7.67 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.367 0.603 . . . . 71.31 110.071 171.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 24.3 t60 . . . . . 0 C--O 1.251 1.136 0 CA-C-N 115.148 -0.933 . . . . 75.21 110.621 -177.305 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttp . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.781 0.324 . . . . 63.44 111.237 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -174.6 171.44 3.27 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.844 0.354 . . . . 65.33 111.134 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -72.87 139.53 46.97 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.478 -0.328 . . . . 74.5 111.176 176.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -116.1 153.09 32.37 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.22 0.533 . . . . 62.23 111.11 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.8 tp -75.36 103.61 5.58 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.197 0.523 . . . . 72.23 111.424 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.58 158.61 15.8 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.828 -0.624 . . . . 61.22 111.631 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.2 144.03 15.06 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 121.3 -0.476 . . . . 64.44 112.661 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.3 mt -133.19 140.14 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 122.601 -0.352 . . . . 63.32 110.763 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HB2' HD21 ' A' ' 78' ' ' LEU . 47.2 ttp180 -118.04 126.45 52.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.9 0.381 . . . . 73.15 110.841 175.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.585 HD11 HD13 ' A' ' 66' ' ' LEU . 24.7 mt -113.31 116.0 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 116.077 -0.51 . . . . 74.53 110.632 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.605 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 71.5 t -115.99 113.54 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.6 0.714 . . . . 72.13 111.705 178.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.08 171.88 22.9 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.331 -0.85 . . . . 11.34 112.388 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -67.45 124.71 23.94 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.238 0.542 . . . . 71.32 112.169 -178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -64.54 104.74 0.84 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.996 -0.547 . . . . 73.12 111.52 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -130.51 175.85 8.64 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.636 0.731 . . . . 60.21 112.808 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -77.4 48.5 0.65 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 114.669 -1.151 . . . . 72.02 112.629 -174.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.33 -28.84 0.24 Allowed Glycine 0 CA--C 1.526 0.736 0 C-N-CA 121.101 -0.571 . . . . 72.52 113.296 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.463 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 70.1 mmm -53.09 -50.46 64.34 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.667 0.617 . . . . 74.43 112.667 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -60.02 -29.74 68.7 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.055 0.455 . . . . 53.0 111.614 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' B' ' 27' ' ' SER . 13.3 m120 -76.32 -48.68 19.18 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.147 0.498 . . . . 73.51 110.985 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.7 pt20 -66.19 -37.62 86.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.241 -0.436 . . . . 74.35 111.629 -176.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.1 mm -61.06 -54.3 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 112.598 0.592 . . . . 74.34 112.598 -176.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 m -73.36 -26.91 61.21 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.436 0.636 . . . . 63.23 110.078 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -57.18 -41.24 92.66 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 115.669 -0.696 . . . . 74.35 112.38 171.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 21' ' ' GLN . 69.8 t -67.23 -39.99 84.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 121.045 0.45 . . . . 75.23 110.853 174.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.471 HG21 HD13 ' A' ' 49' ' ' LEU . 68.2 mt -57.08 -42.04 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 116.146 -0.479 . . . . 75.32 112.096 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 63.3 p -62.23 -21.97 65.58 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.775 0.321 . . . . 73.22 111.742 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 25.0 mtpp -79.71 -0.5 34.37 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 111.936 0.347 . . . . 73.04 111.936 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -75.71 165.66 24.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.788 0.804 . . . . 61.23 112.977 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.32 -28.94 38.09 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.718 -1.128 . . . . 75.12 111.203 -177.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 t -86.24 170.09 12.43 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.786 -0.643 . . . . 74.41 112.463 -174.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.414 ' O ' HG22 ' A' ' 51' ' ' ILE . 26.5 t-20 -99.9 136.83 39.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.059 0.457 . . . . 70.44 111.267 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.544 HG13 ' ND2' ' B' ' 20' ' ' ASN . 62.4 mt -79.1 103.19 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 121.058 0.456 . . . . 72.54 111.662 -177.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -75.5 -35.54 60.76 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.072 0.463 . . . . 64.42 110.447 174.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.628 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 56.1 m -156.92 132.7 9.47 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.065 -0.516 . . . . 54.54 111.739 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.762 HD11 ' SG ' ' A' ' 47' ' ' CYS . 9.1 tp -135.66 126.18 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 120.623 0.249 . . . . 74.12 110.333 172.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.422 HG22 HG13 ' B' ' 37' ' ' VAL . 58.6 t -135.1 104.24 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.83 0.348 . . . . 74.14 111.758 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.628 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.8 tt -107.49 124.25 49.61 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 110.067 -0.346 . . . . 74.43 110.067 177.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -131.14 124.98 31.87 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.134 0.492 . . . . 70.35 111.436 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -98.4 116.39 30.53 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.056 -0.52 . . . . 53.21 110.729 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.459 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -142.58 146.79 34.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.957 -0.565 . . . . 73.13 110.7 -177.203 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.0 t70 66.09 6.38 4.1 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.157 0.428 . . . . 74.45 112.157 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.06 -1.4 47.62 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.132 -0.556 . . . . 74.33 113.233 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mt -123.4 164.39 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.61 -0.515 . . . . 71.02 109.61 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.511 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 30.5 p90 -131.52 143.12 50.15 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.98 -0.45 . . . . 74.13 111.375 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.532 ' HB ' HG22 ' A' ' 11' ' ' VAL . 2.1 t -120.72 114.08 21.15 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.043 0.449 . . . . 73.01 111.355 173.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.762 ' SG ' HD11 ' A' ' 36' ' ' ILE . 42.8 t -93.62 116.86 29.38 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.112 -0.495 . . . . 75.31 110.94 175.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.419 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.3 m-20 -100.88 106.24 17.58 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.775 0.321 . . . . 70.24 111.246 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.471 HD13 HG21 ' A' ' 26' ' ' ILE . 62.0 tp -98.68 128.41 44.94 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.048 0.451 . . . . 64.33 111.874 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.564 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 75.8 mmm -121.59 106.82 11.72 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.167 -0.47 . . . . 53.04 110.716 176.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -142.12 166.0 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 116.113 -0.494 . . . . 65.45 111.922 -175.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -92.47 135.38 34.1 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.028 0.442 . . . . 75.45 111.666 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.2 m -125.46 142.05 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 120.993 0.425 . . . . 55.24 111.182 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -63.8 -29.09 70.33 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.36 0.504 . . . . 71.32 112.36 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -166.37 175.94 7.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.995 0.426 . . . . 73.33 111.464 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.7 p -64.26 -35.12 79.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.291 -0.413 . . . . 61.01 111.954 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -60.77 -41.94 96.51 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.856 0.836 . . . . 71.52 110.593 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -60.95 -43.08 99.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.782 -1.099 . . . . 73.53 111.093 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.0 -47.44 83.09 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.035 -0.53 . . . . 73.03 111.559 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.8 p -62.77 -29.62 70.84 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.862 0.363 . . . . 73.23 111.264 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.4 m -67.55 -41.76 83.73 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.863 0.363 . . . . 61.22 111.383 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.87 -37.35 84.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.829 0.347 . . . . 74.41 110.973 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.5 mtt -58.37 -44.2 88.77 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.052 0.453 . . . . 74.34 111.06 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 25.8 t70 -62.72 -43.83 97.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.753 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -56.09 -48.32 76.35 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.248 0.547 . . . . 73.52 111.617 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 10' ' ' ILE . 52.5 mt -71.26 -26.36 62.86 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.988 -0.551 . . . . 70.52 111.643 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -79.8 -6.69 57.82 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 120.951 0.405 . . . . 74.34 111.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 75.5 mmtt -70.66 -7.22 42.8 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 122.17 -0.331 . . . . 53.12 111.614 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.1 t -93.36 115.63 32.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-O 120.901 0.381 . . . . 74.04 111.405 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -57.35 -29.77 64.28 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.631 0.604 . . . . 63.12 112.631 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.72 -9.83 84.89 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.957 -0.64 . . . . 63.41 113.949 -178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.6 t -100.93 128.41 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 117.325 0.563 . . . . 63.22 111.679 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.09 -20.74 13.32 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.42 0.526 . . . . 74.21 112.42 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.605 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.2 p -126.01 124.91 41.74 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.346 0.593 . . . . 62.15 111.91 177.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.21 104.88 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 109.207 -0.664 . . . . 71.53 109.207 172.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -137.01 161.24 36.6 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.276 0.473 . . . . 72.22 112.276 -168.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -84.22 136.02 34.12 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.045 0.45 . . . . 75.22 111.496 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 9' ' ' ARG . 97.9 mt -82.18 97.76 8.38 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.16 169.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.8 p -75.37 -60.78 2.15 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.089 0.471 . . . . 63.1 110.938 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -68.31 105.08 2.03 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.126 -0.488 . . . . 72.0 111.283 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' HB3' ' HD2' ' A' ' 83' ' ' HIS . 81.3 mt -110.3 152.71 25.85 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.121 -0.49 . . . . 74.44 111.778 -178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.04 8.3 44.97 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.1 -0.5 . . . . 74.2 111.968 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.468 ' HD2' ' HB3' ' A' ' 81' ' ' LEU . 31.2 m-70 -72.89 100.69 2.98 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 120.916 0.388 . . . . 61.44 111.609 -176.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -71.18 -44.28 65.77 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.07 0.462 . . . . 63.3 111.039 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -112.84 119.12 36.9 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.188 -0.46 . . . . 62.21 109.919 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -89.76 -11.48 42.08 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.046 0.758 . . . . 75.23 113.046 -168.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -141.87 116.25 9.55 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.562 0.22 . . . . 64.14 111.437 177.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 53.6 t60 . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.518 -0.753 . . . . 71.0 111.713 177.799 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tpt . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.915 0.388 . . . . 70.24 111.261 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 14.4 t -160.9 -35.59 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.198 0.523 . . . . 73.22 110.705 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -74.87 156.72 36.12 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.86 -0.609 . . . . 62.41 110.918 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -129.12 158.77 38.03 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.217 0.532 . . . . 75.53 111.173 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.523 HD21 ' CE1' ' B' ' 83' ' ' HIS . 47.1 tp -77.03 107.04 9.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.834 -0.621 . . . . 74.33 110.797 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.441 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -101.18 154.38 18.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.117 -0.492 . . . . 54.34 112.101 -177.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' B' ' 49' ' ' LEU . . . -131.26 142.65 14.04 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.203 -0.453 . . . . 70.34 113.081 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.74 HD12 HD23 ' B' ' 49' ' ' LEU . 46.4 mt -127.44 145.45 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 O-C-N 122.476 -0.426 . . . . 65.42 111.53 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.678 HH21 ' ND2' ' B' ' 48' ' ' ASN . 17.6 tpp85 -119.79 121.53 39.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.741 0.416 . . . . 73.4 111.255 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.794 HD11 HD13 ' B' ' 66' ' ' LEU . 42.5 mt -119.44 118.1 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.406 -0.361 . . . . 75.53 111.163 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.577 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 74.6 t -120.31 116.94 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.385 0.612 . . . . 74.24 111.028 174.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.43 171.08 26.6 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.694 -0.685 . . . . 54.51 112.899 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -71.74 138.57 48.58 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.459 0.647 . . . . 72.32 112.365 -177.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -78.41 85.02 4.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.816 -0.629 . . . . 73.53 111.898 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -96.03 161.16 14.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.536 0.684 . . . . 73.45 112.441 170.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -47.58 -37.03 11.56 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.605 -1.179 . . . . 72.24 112.9 -175.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.11 -0.68 20.86 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.944 -0.646 . . . . 22.55 114.151 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.469 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 34.7 mmm -69.32 -52.0 31.57 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 117.808 0.804 . . . . 65.42 112.9 -176.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 67.7 p -63.09 -28.99 70.46 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.3 0.571 . . . . 72.41 111.051 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.544 ' ND2' HG13 ' A' ' 33' ' ' ILE . 11.6 m120 -76.1 -48.33 21.12 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.902 -0.59 . . . . 73.41 111.089 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.535 ' O ' HG23 ' B' ' 25' ' ' VAL . 10.1 pt20 -66.78 -38.49 86.65 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.063 -0.517 . . . . 61.12 111.336 -177.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.542 ' O ' HG12 ' B' ' 26' ' ' ILE . 11.9 mm -60.81 -54.17 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 112.006 0.373 . . . . 54.34 112.006 -177.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.1 m -70.52 -26.94 63.81 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.466 0.65 . . . . 75.43 110.449 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.61 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -60.18 -52.28 53.73 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 120.979 -0.629 . . . . 64.33 112.277 172.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 21' ' ' GLN . 88.2 t -57.09 -38.08 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 120.696 0.284 . . . . 64.31 111.161 177.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.702 HD12 HD22 ' B' ' 49' ' ' LEU . 51.2 mm -52.76 -47.85 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 CA-C-O 121.403 0.62 . . . . 45.02 110.921 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' ASN . 5.6 m -61.12 -30.59 70.46 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.656 -0.702 . . . . 75.41 111.391 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 44.7 mtpt -81.49 -0.29 41.17 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.999 -0.546 . . . . 62.1 112.334 -173.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -72.54 169.49 16.37 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.565 0.698 . . . . 73.01 112.537 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -27.53 57.72 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.364 -0.835 . . . . 61.53 111.526 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 9.9 t -86.43 168.82 13.43 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.766 -0.652 . . . . 63.11 112.607 -172.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -99.45 128.43 45.56 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.964 -0.562 . . . . 63.35 110.837 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.51 ' HA ' HG22 ' B' ' 51' ' ' ILE . 64.7 mt -76.51 112.38 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 112.52 0.563 . . . . 54.1 112.52 -175.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -84.63 -40.63 17.22 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.017 0.437 . . . . 61.02 110.85 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.511 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 31.2 m -152.11 133.33 14.4 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.921 0.391 . . . . 63.12 111.517 178.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.628 HG22 ' HB3' ' A' ' 38' ' ' LEU . 9.3 tp -138.24 131.5 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 120.921 0.391 . . . . 73.33 110.426 174.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.52 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 85.1 t -126.29 141.88 44.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.477 -0.329 . . . . 64.33 110.841 178.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.628 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.0 tt -144.65 112.67 6.37 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.392 -0.596 . . . . 65.44 109.392 169.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.421 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 3.0 p-10 -125.67 115.98 20.96 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.218 0.533 . . . . 71.23 111.047 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -103.35 129.81 50.49 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.737 0.643 . . . . 51.51 112.737 -175.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.493 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 0.1 OUTLIER -144.45 151.85 39.79 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.688 -0.687 . . . . 70.44 110.605 176.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 67.01 9.46 6.92 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 112.356 0.502 . . . . 70.2 112.356 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.87 15.73 59.08 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 120.915 -0.659 . . . . 14.1 112.637 -173.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.5 mt -131.35 159.94 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 122.898 0.479 . . . . 74.03 109.779 175.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.562 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 42.7 p90 -129.37 148.98 51.34 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.942 -0.474 . . . . 75.43 111.449 177.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -122.81 101.05 7.22 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.274 0.559 . . . . 63.33 111.446 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.607 ' HB3' ' HB ' ' B' ' 10' ' ' ILE . 45.8 t -88.02 131.52 34.61 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.104 -0.498 . . . . 72.0 111.998 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.678 ' ND2' HH21 ' B' ' 9' ' ' ARG . 3.3 m-20 -113.25 108.19 16.92 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.304 -0.407 . . . . 72.4 110.455 177.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.74 HD23 HD12 ' B' ' 8' ' ' ILE . 39.2 tp -98.43 128.45 44.81 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.695 0.283 . . . . 70.32 111.692 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.511 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 63.2 mmm -125.17 106.29 9.79 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.921 0.391 . . . . 51.12 111.303 177.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.51 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -145.86 159.86 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.095 0.474 . . . . 55.11 111.931 -176.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -87.49 131.03 34.49 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.085 0.469 . . . . 75.34 111.823 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 20.1 m -122.23 141.83 41.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 121.049 0.452 . . . . 74.53 111.534 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.581 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 18.3 ptpt -69.36 -25.9 64.4 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.135 -0.484 . . . . 71.34 112.274 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.581 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 8.9 p30 -158.39 169.76 23.75 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.892 0.377 . . . . 63.23 111.57 177.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.0 p -68.81 -36.98 78.92 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.222 0.452 . . . . 64.24 112.222 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.33 -34.58 78.67 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.36 0.6 . . . . 73.41 110.374 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -58.07 -44.13 87.34 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.719 -0.673 . . . . 72.2 110.515 172.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.442 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 61.4 tp -63.77 -47.51 80.67 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.955 -0.566 . . . . 61.42 111.351 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . 0.499 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 71.7 p -66.11 -29.84 70.23 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.56 -0.291 . . . . 63.22 111.253 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 45.3 m -61.74 -42.75 99.38 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.793 0.33 . . . . 60.03 111.019 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 64.2 mt -59.18 -40.86 86.99 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.713 0.292 . . . . 74.52 110.79 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.499 ' SD ' ' HA ' ' B' ' 60' ' ' THR . 55.3 mtt -54.04 -51.65 63.34 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.091 0.472 . . . . 73.42 110.848 174.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.422 ' O ' ' HE2' ' B' ' 68' ' ' LYS . 20.6 t70 -58.12 -44.6 87.82 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.688 -0.687 . . . . 62.13 110.869 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -57.52 -45.4 85.04 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.079 0.466 . . . . 74.42 111.68 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.794 HD13 HD11 ' B' ' 10' ' ' ILE . 41.2 mt -75.71 -26.39 57.48 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.989 -0.55 . . . . 74.31 111.631 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -74.93 -8.7 57.24 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.319 -0.4 . . . . 75.34 112.0 -177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' B' ' 64' ' ' ASP . 72.5 mmtt -72.75 -18.64 61.49 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.698 0.285 . . . . 61.32 111.668 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 45.0 t -75.98 120.34 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.04 0.448 . . . . 61.11 111.812 -175.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -32.24 48.71 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.035 0.754 . . . . 61.23 113.035 -177.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.26 -24.98 72.0 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 121.15 -0.548 . . . . 71.24 113.658 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 52.7 t -86.69 136.74 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 122.266 -0.549 . . . . 73.24 111.437 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -122.02 -7.01 8.93 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.08 0.4 . . . . 73.34 112.08 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.577 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.2 p -137.93 121.94 17.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.978 0.418 . . . . 74.44 111.319 174.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 34.4 t -132.15 104.84 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 N-CA-C 109.855 -0.424 . . . . 72.02 109.855 173.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -128.13 175.26 8.56 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.241 0.543 . . . . 54.23 112.43 -172.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.441 ' HB2' ' HE2' ' B' ' 63' ' ' MET . 31.2 ttp180 -98.18 142.07 30.32 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.858 -0.61 . . . . 73.13 111.374 175.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' B' ' 9' ' ' ARG . 93.4 mt -95.61 121.73 37.61 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.543 -0.299 . . . . 52.44 110.545 174.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 33.1 t -99.83 -40.83 7.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.871 0.367 . . . . 73.21 111.306 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -83.53 82.68 8.19 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.622 0.725 . . . . 73.13 111.229 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.511 ' HB3' ' CD2' ' B' ' 83' ' ' HIS . 52.4 mt -85.94 -27.29 25.03 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.745 -0.662 . . . . 72.04 112.596 -176.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.724 ' HG3' ' H ' ' B' ' 83' ' ' HIS . 9.9 pt-20 58.46 -89.54 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.63 1.172 . . . . 70.34 110.68 -173.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.724 ' H ' ' HG3' ' B' ' 82' ' ' GLU . 10.8 m-70 68.25 -26.34 0.14 Allowed 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 113.791 1.034 . . . . 73.1 113.791 172.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -141.57 100.01 3.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.999 0.519 . . . . 74.43 109.711 174.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -67.94 98.48 0.75 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.513 0.56 . . . . 70.4 112.513 -174.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -116.37 -6.34 11.77 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.019 -0.537 . . . . 74.11 111.446 174.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -150.94 125.04 9.3 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.427 -0.352 . . . . 73.55 110.896 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.585 -0.721 . . . . 62.3 111.429 178.47 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.566 ' SD ' ' N ' ' A' ' 1' ' ' MET . 3.1 mpp? . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 121.05 0.452 . . . . 65.4 110.779 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.9 m -88.43 81.83 7.12 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.106 0.479 . . . . 61.34 110.379 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -161.18 152.42 18.8 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.844 -0.616 . . . . 75.42 111.034 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -142.49 162.78 34.6 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.976 0.417 . . . . 73.45 111.288 -178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.7 tp -84.33 105.54 15.25 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.17 0.509 . . . . 62.45 111.073 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -96.74 161.01 14.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.909 -0.587 . . . . 74.33 111.617 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -139.26 146.32 17.89 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 120.987 -0.625 . . . . 54.43 113.438 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.0 mt -135.18 127.72 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.596 0.359 . . . . 64.32 110.592 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HB2' HD21 ' A' ' 78' ' ' LEU . 16.3 ttt180 -102.47 127.06 49.68 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.158 0.504 . . . . 73.14 111.491 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.429 HD11 HD13 ' A' ' 66' ' ' LEU . 36.0 mt -116.01 117.73 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 115.718 -0.674 . . . . 71.31 111.211 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.611 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 68.8 t -119.58 115.48 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 121.535 0.683 . . . . 61.1 110.802 173.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.04 169.36 24.99 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.449 -0.796 . . . . 54.3 112.443 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -75.98 129.67 37.25 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.228 0.537 . . . . 64.42 111.825 -176.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -72.37 117.0 13.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.103 -0.499 . . . . 62.51 110.761 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -163.93 135.55 4.73 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.314 0.487 . . . . 64.33 112.314 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 p30 41.84 22.08 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.136 1.532 . . . . 73.33 115.136 173.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.79 22.71 7.87 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 121.072 -0.585 . . . . 61.22 114.342 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.481 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 24.4 mmm -53.8 -44.18 69.95 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.118 0.485 . . . . 74.32 111.613 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 64.1 p -59.56 -30.17 68.45 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.262 -0.426 . . . . 74.25 111.726 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.421 ' OD1' ' HA ' ' B' ' 32' ' ' ASN . 14.0 m120 -76.72 -49.32 16.32 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.96 0.41 . . . . 74.04 110.814 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.481 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.0 pt20 -64.33 -40.93 96.87 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.224 -0.443 . . . . 74.11 111.521 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 22' ' ' ILE . 11.2 mm -56.86 -53.61 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.494 0.553 . . . . 62.44 112.494 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.497 HG21 HG21 ' B' ' 23' ' ' THR . 17.4 m -73.77 -27.44 61.16 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.074 0.464 . . . . 74.32 110.618 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.23 98.32 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 121.03 -0.605 . . . . 72.01 112.33 173.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 21' ' ' GLN . 87.2 t -67.24 -38.94 81.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.916 0.388 . . . . 54.32 111.105 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG21 HD13 ' A' ' 49' ' ' LEU . 61.9 mt -53.89 -44.31 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 N-CA-C 112.318 0.488 . . . . 73.33 112.318 178.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.8 p -60.24 -22.33 62.9 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.236 0.458 . . . . 71.14 112.236 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -80.63 -5.26 56.65 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 112.517 0.562 . . . . 72.33 112.517 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -67.53 173.42 4.15 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.942 0.719 . . . . 72.25 112.942 -176.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.44 7.88 10.76 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.697 -0.683 . . . . 73.45 111.813 -178.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -134.43 168.81 18.26 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.437 0.532 . . . . 52.33 112.437 -172.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.643 ' HA ' HD21 ' B' ' 20' ' ' ASN . 22.2 m120 -105.82 127.94 53.42 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.207 0.527 . . . . 73.23 111.721 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.489 ' HA ' HG22 ' A' ' 51' ' ' ILE . 3.1 mp -70.79 121.59 20.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.891 -0.595 . . . . 63.25 111.2 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.22 -23.45 16.17 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.073 0.463 . . . . 72.53 111.12 176.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 70.5 m -155.59 132.69 10.77 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.157 -0.474 . . . . 71.12 110.927 177.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.695 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.7 tp -137.98 126.43 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 120.919 0.39 . . . . 72.12 110.389 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.5 t -126.63 104.32 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 120.707 0.289 . . . . 70.33 110.921 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.532 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.5 tt -115.43 114.89 25.67 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.918 -0.401 . . . . 71.31 109.918 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.485 ' HB3' HG23 ' B' ' 35' ' ' THR . 4.2 p-10 -130.82 119.85 22.85 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.398 0.618 . . . . 72.43 111.545 178.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -99.63 123.27 43.74 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.818 -0.628 . . . . 61.22 111.582 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.517 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -137.54 145.33 42.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.098 -0.501 . . . . 64.13 110.796 178.28 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 57.61 19.79 5.71 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.89 0.7 . . . . 75.13 112.89 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.41 0.8 59.39 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.206 -0.521 . . . . 71.45 113.968 177.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.5 mt -124.95 159.71 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 117.057 0.429 . . . . 74.21 110.057 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.534 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 42.7 p90 -127.67 146.17 50.65 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 122.212 -0.305 . . . . 71.54 111.303 177.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.414 HG23 ' OD1' ' A' ' 39' ' ' ASN . 2.0 t -122.06 99.85 6.66 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.101 0.477 . . . . 74.21 110.865 174.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.695 ' SG ' HD11 ' A' ' 36' ' ' ILE . 52.9 t -96.93 118.46 33.4 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.449 -0.341 . . . . 64.03 111.641 -178.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.456 ' O ' HD12 ' A' ' 36' ' ' ILE . 70.1 m-20 -99.11 112.34 24.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.815 0.34 . . . . 74.31 110.757 178.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.473 HD13 HG21 ' A' ' 26' ' ' ILE . 33.6 tp -97.34 123.87 41.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.15 -0.477 . . . . 71.03 111.413 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.429 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 63.5 mmm -118.97 111.72 18.69 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.028 0.442 . . . . 75.24 111.23 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.489 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -140.53 158.43 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 116.011 -0.54 . . . . 63.22 111.836 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -92.0 133.7 35.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.91 0.386 . . . . 74.42 111.948 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.05 153.0 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 116.246 -0.434 . . . . 70.32 111.217 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . 41.5 mtmt -85.74 -31.8 22.22 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.239 0.542 . . . . 75.55 110.566 173.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -137.12 148.6 46.78 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.853 -0.612 . . . . 54.21 111.757 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.4 p -64.77 -20.47 66.38 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.304 -0.407 . . . . 74.32 111.4 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.4 -49.99 75.37 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.249 -0.432 . . . . 73.43 111.351 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.88 -32.81 73.2 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.951 0.405 . . . . 64.24 109.941 177.573 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.7 tp -65.48 -47.55 75.65 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.948 -0.569 . . . . 65.31 111.456 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.7 p -68.74 -30.34 68.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.104 0.478 . . . . 62.44 111.143 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 95.3 m -61.4 -43.41 98.91 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.286 -0.416 . . . . 63.54 111.115 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 58' ' ' LYS . 63.7 mt -59.33 -38.33 80.05 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.501 -0.318 . . . . 72.42 111.217 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.8 mtt -54.55 -50.56 67.62 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.279 -0.418 . . . . 62.14 111.092 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 18.8 t70 -57.09 -43.5 82.25 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.231 -0.441 . . . . 73.45 110.95 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -58.23 -45.01 88.51 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.264 0.554 . . . . 75.21 111.245 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.429 HD13 HD11 ' A' ' 10' ' ' ILE . 64.7 mt -68.53 -32.14 71.88 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.056 -0.52 . . . . 73.45 111.429 178.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -75.01 -8.76 57.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.283 -0.417 . . . . 62.34 111.816 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.576 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -72.4 -12.82 61.27 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.631 0.253 . . . . 73.54 111.235 175.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 68.8 t -86.52 123.96 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.214 0.531 . . . . 71.03 111.375 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -59.58 -34.44 72.72 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.399 0.518 . . . . 74.45 112.399 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.22 -20.32 74.91 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 121.032 -0.604 . . . . 62.31 114.325 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.3 t -93.17 145.97 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 117.839 0.819 . . . . 71.35 111.831 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -127.68 -11.23 5.55 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.752 0.649 . . . . 72.31 112.752 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.611 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.4 p -134.55 124.28 25.22 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.877 -0.515 . . . . 74.42 111.816 175.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.6 t -135.99 106.4 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.703 -0.48 . . . . 74.2 109.703 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -128.47 163.38 25.04 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.405 0.52 . . . . 55.11 112.405 -170.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -85.04 142.93 29.22 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.051 0.453 . . . . 75.15 111.418 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 9' ' ' ARG . 96.7 mt -105.05 100.81 10.4 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.839 0.352 . . . . 74.41 110.824 175.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 p -79.99 -60.82 2.19 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.124 0.488 . . . . 74.14 111.206 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -72.92 119.36 17.06 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.046 -0.524 . . . . 74.33 110.4 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 83' ' ' HIS . 91.8 mt -122.06 148.93 44.24 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.293 0.568 . . . . 71.35 112.306 -175.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -92.87 27.46 2.39 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.52 0.676 . . . . 74.05 110.691 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.402 ' HD2' ' HB3' ' A' ' 81' ' ' LEU . 32.6 m-70 -91.75 162.91 14.27 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.835 -0.62 . . . . 63.34 111.591 -176.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -118.4 97.04 5.56 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.407 -0.361 . . . . 73.51 111.753 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -79.31 -15.36 58.07 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 122.371 -0.206 . . . . 72.43 111.553 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 37.3 m80 58.24 77.43 0.29 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.565 -0.531 . . . . 64.24 109.565 -171.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -51.26 112.74 0.78 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.333 0.864 . . . . 63.52 113.333 -172.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 48.6 m80 . . . . . 0 C--O 1.253 1.277 0 CA-C-N 115.299 -0.864 . . . . 74.21 110.88 176.016 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.0 mmm . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 112.046 0.387 . . . . 62.03 112.046 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -88.93 12.35 15.56 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 121.399 0.619 . . . . 71.25 111.002 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER -92.06 153.55 19.32 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.654 -0.703 . . . . 74.15 112.421 -174.144 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -151.85 158.47 43.29 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.912 -0.585 . . . . 74.23 111.102 177.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.8 tp -77.56 109.02 11.15 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.018 -0.537 . . . . 75.22 111.083 177.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.449 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -102.61 158.94 15.88 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.968 -0.56 . . . . 75.34 111.849 -178.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.07 137.74 9.47 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 121.221 -0.514 . . . . 23.53 113.342 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 mt -121.93 147.18 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 122.74 0.416 . . . . 32.11 110.754 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.589 ' NE ' HG23 ' B' ' 11' ' ' VAL . 0.5 OUTLIER -122.25 118.46 28.6 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 116.543 -0.298 . . . . 55.13 110.199 -179.114 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.606 HD11 HD13 ' B' ' 66' ' ' LEU . 34.3 mt -115.04 118.62 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 122.389 0.276 . . . . 64.44 111.448 -176.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.589 HG23 ' NE ' ' B' ' 9' ' ' ARG . 55.4 t -119.72 120.26 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.247 0.546 . . . . 43.5 111.781 175.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.23 169.24 28.92 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.731 -0.668 . . . . 75.33 112.851 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.65 137.44 58.1 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 122.446 -0.444 . . . . 71.52 111.973 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -79.43 46.32 0.73 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.764 0.653 . . . . 75.31 112.764 -170.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -61.94 158.24 16.69 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 114.797 1.406 . . . . 73.2 114.797 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.08 64.88 0.06 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 113.48 -1.691 . . . . 53.41 111.472 171.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.31 -38.35 0.59 Allowed Glycine 0 CA--C 1.528 0.873 0 CA-C-N 116.056 -0.52 . . . . 54.2 113.179 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.575 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 35.0 mmm -52.68 -50.61 62.94 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.697 0.629 . . . . 71.21 112.697 -178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -56.73 -31.74 64.83 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.023 0.379 . . . . 65.15 112.023 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.643 HD21 ' HA ' ' A' ' 32' ' ' ASN . 1.8 m-20 -76.82 -48.3 18.89 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.108 0.48 . . . . 63.35 110.877 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.511 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 8.5 pt20 -65.55 -34.55 78.52 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.033 -0.53 . . . . 74.54 111.531 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.433 ' O ' HG13 ' B' ' 26' ' ' ILE . 10.0 mm -62.22 -53.78 43.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 111.923 0.342 . . . . 71.02 111.923 -178.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.497 HG21 HG21 ' A' ' 23' ' ' THR . 4.7 m -73.49 -27.13 61.22 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.034 0.445 . . . . 71.42 110.463 177.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.433 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -58.94 -48.39 85.95 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.277 -0.487 . . . . 64.34 112.475 173.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 85.3 t -64.18 -36.1 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 O-C-N 122.328 -0.513 . . . . 74.44 110.946 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' B' ' 29' ' ' PHE . 77.7 mt -62.74 -36.81 77.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 111.906 0.336 . . . . 63.21 111.906 176.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 82.7 p -70.56 -22.81 62.55 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.887 -0.508 . . . . 73.23 110.786 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 50.1 mtpt -82.11 -5.54 58.5 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.259 -0.428 . . . . 72.02 111.551 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . 0.451 ' CE1' ' HD3' ' B' ' 65' ' ' LYS . 2.3 m-30 -64.66 160.57 19.54 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.548 1.166 . . . . 72.43 113.85 -173.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.71 -27.87 68.65 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.5 -1.682 . . . . 72.13 112.329 177.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.4 t -105.19 169.22 8.57 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.351 0.5 . . . . 72.5 112.351 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.51 ' O ' HG22 ' B' ' 51' ' ' ILE . 14.6 m120 -97.99 128.92 44.85 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.991 0.424 . . . . 72.22 111.755 -176.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.5 103.47 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 116.205 -0.452 . . . . 71.31 111.395 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -82.13 -38.39 24.84 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.378 0.608 . . . . 75.13 110.302 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.595 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 27.3 m -155.7 152.42 28.57 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.619 -0.719 . . . . 73.13 109.956 175.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.532 HG22 ' HB3' ' A' ' 38' ' ' LEU . 20.1 tt -162.35 135.8 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-O 121.051 0.453 . . . . 70.22 111.893 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 62.5 t -130.73 109.92 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.049 -0.523 . . . . 75.53 111.083 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.603 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.1 tt -110.02 112.21 24.07 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.975 -0.38 . . . . 62.13 109.975 175.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -131.66 135.24 46.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 120.989 0.423 . . . . 72.02 111.547 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -108.6 129.14 55.32 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.174 0.511 . . . . 73.1 112.08 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.71 151.39 37.93 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.878 -0.601 . . . . 71.42 110.43 175.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 61.4 13.35 4.95 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.079 0.466 . . . . 72.54 111.767 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.19 19.12 61.38 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-N 116.377 -0.374 . . . . 75.41 113.063 -176.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mt -135.03 145.94 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 O-C-N 122.461 -0.435 . . . . 71.34 110.216 175.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.508 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 36.1 p90 -115.45 144.37 43.92 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.011 0.434 . . . . 64.11 111.251 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.58 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 2.5 t -118.14 107.27 13.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 72.52 111.112 175.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.477 ' SG ' HD11 ' B' ' 36' ' ' ILE . 47.8 t -94.26 97.43 10.24 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.19 -0.459 . . . . 71.31 111.172 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 3.1 m-20 -83.56 111.76 19.39 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.4 -0.364 . . . . 75.1 111.314 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.404 HD13 HD12 ' B' ' 36' ' ' ILE . 54.4 tp -99.99 130.7 46.18 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.954 0.407 . . . . 73.42 111.807 -178.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.595 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.0 mmm -120.95 113.62 20.36 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.936 0.398 . . . . 64.24 110.774 176.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.51 HG22 ' O ' ' B' ' 32' ' ' ASN . 2.3 pp -144.68 162.15 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 116.336 -0.393 . . . . 73.4 111.695 -176.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -90.35 135.48 33.65 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.102 0.477 . . . . 74.11 111.765 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 12.9 m -129.47 160.15 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.142 -0.481 . . . . 65.42 110.768 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -88.74 -11.6 44.6 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.762 0.315 . . . . 60.01 111.808 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 5.6 p30 -175.28 163.83 3.13 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.859 0.463 . . . . 75.41 110.584 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.7 p -64.45 -29.7 70.75 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.626 0.602 . . . . 73.34 112.626 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -68.32 -36.07 78.74 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.922 0.868 . . . . 53.21 110.125 177.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 22.7 tptp -62.35 -29.8 70.72 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.173 -0.921 . . . . 75.44 110.795 172.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.626 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 58.8 tp -77.13 -48.05 18.75 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.929 -0.578 . . . . 70.11 111.485 177.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 68.7 p -58.65 -37.61 76.34 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.032 0.444 . . . . 74.05 111.356 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 31.7 m -52.22 -40.24 61.33 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.04 -0.527 . . . . 63.51 112.007 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.24 -33.8 73.83 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.845 0.355 . . . . 74.2 110.97 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.626 ' HE3' ' HG ' ' B' ' 59' ' ' LEU . 51.1 mtt -61.72 -46.6 88.97 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.001 0.429 . . . . 64.33 110.62 176.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.442 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 34.8 t70 -57.83 -45.77 85.68 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.999 -0.546 . . . . 63.32 110.772 176.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.451 ' HD3' ' CE1' ' B' ' 29' ' ' PHE . 72.9 mttt -53.71 -49.59 67.74 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.215 0.531 . . . . 74.3 111.804 175.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.606 HD13 HD11 ' B' ' 10' ' ' ILE . 43.7 mt -70.71 -29.36 65.62 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.869 -0.605 . . . . 62.25 111.782 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -76.89 -8.22 56.95 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 120.704 0.288 . . . . 75.51 111.659 -177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 68.6 mmtt -74.07 -5.98 44.82 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.615 0.245 . . . . 65.21 111.56 176.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.434 HG12 ' H ' ' B' ' 71' ' ' GLY . 66.3 t -86.52 128.93 39.09 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 120.963 0.411 . . . . 71.42 111.601 -176.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -64.72 -30.09 71.09 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.759 0.651 . . . . 63.12 112.759 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.575 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -79.95 -17.74 74.07 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 120.834 -0.698 . . . . 71.03 114.106 -177.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.572 HG23 ' HE1' ' B' ' 18' ' ' MET . 58.9 t -95.81 141.28 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 117.372 0.586 . . . . 65.11 111.437 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.05 -20.06 9.49 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.233 0.457 . . . . 75.14 112.233 177.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.52 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.3 p -131.12 118.87 21.11 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.862 0.363 . . . . 63.31 111.847 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.485 HG11 ' HB2' ' B' ' 66' ' ' LEU . 21.8 t -130.74 103.25 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 109.733 -0.469 . . . . 64.41 109.733 171.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -129.9 177.92 6.91 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.092 0.472 . . . . 53.2 111.683 -173.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -92.23 145.48 24.46 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.212 0.53 . . . . 70.52 112.026 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -93.27 100.33 12.71 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.07 -0.514 . . . . 55.45 110.155 171.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 34.3 t -80.31 -21.25 42.75 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.208 -0.451 . . . . 71.03 112.05 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -112.68 108.72 17.87 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.721 0.296 . . . . 65.31 111.218 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 63.7 mt -108.74 166.77 10.56 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.036 0.446 . . . . 74.02 111.605 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.05 16.39 2.45 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.565 0.58 . . . . 60.41 112.565 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -59.08 -30.03 67.77 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.045 0.387 . . . . 63.54 112.045 -174.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -93.6 97.51 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.011 -0.737 . . . . 70.05 109.011 162.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -71.85 73.69 0.85 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.538 -0.756 . . . . 74.31 112.462 -169.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -82.88 93.34 7.47 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.365 -0.38 . . . . 75.4 110.733 173.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -71.85 126.42 29.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.902 0.382 . . . . 71.23 111.896 -175.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 14.0 p80 . . . . . 0 C--O 1.254 1.291 0 CA-C-O 118.492 -0.766 . . . . 75.21 111.338 176.031 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 ptp . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 120.8 0.334 . . . . 72.21 111.118 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t -168.02 162.33 13.2 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.418 -0.356 . . . . 61.41 111.164 173.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -159.94 152.23 20.82 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.853 0.359 . . . . 54.15 111.442 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 p90 -147.43 157.08 43.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.972 0.415 . . . . 75.4 110.724 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.8 tp -79.75 107.08 12.25 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.093 0.473 . . . . 74.41 110.641 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.514 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -96.32 144.73 26.22 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.101 0.408 . . . . 64.23 112.101 -177.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.27 137.64 13.82 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 121.373 -0.442 . . . . 72.32 113.241 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.484 HD12 HD23 ' A' ' 49' ' ' LEU . 35.8 mt -126.71 148.82 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.01 0.524 . . . . 71.22 110.371 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' HD21 ' A' ' 78' ' ' LEU . 59.7 ttt180 -131.14 121.88 25.67 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.844 0.355 . . . . 72.32 111.01 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.778 HD11 HD13 ' A' ' 66' ' ' LEU . 28.7 mt -113.03 116.68 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 116.1 -0.5 . . . . 65.33 110.929 -178.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.617 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.9 t -116.95 114.6 46.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 121.581 0.705 . . . . 63.34 111.555 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.21 172.55 26.78 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 115.46 -0.791 . . . . 54.41 112.631 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 71' ' ' GLY . 15.3 pt-20 -65.27 139.07 58.58 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.974 0.416 . . . . 72.12 111.56 -178.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -78.56 45.78 0.6 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 112.793 0.664 . . . . 73.42 112.793 -171.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -63.35 161.0 14.83 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 114.212 1.19 . . . . 74.23 114.212 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -45.38 -33.83 2.74 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 113.426 -1.715 . . . . 73.14 114.282 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.25 -0.09 8.12 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 120.801 -0.714 . . . . 41.23 114.097 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.595 ' SD ' ' HA3' ' A' ' 71' ' ' GLY . 38.2 mmm -68.43 -52.03 37.26 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.062 0.764 . . . . 73.34 113.062 -175.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.7 p -60.51 -31.09 70.16 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.09 0.471 . . . . 74.33 111.459 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -75.79 -47.76 24.48 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.979 -0.555 . . . . 54.41 110.771 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.485 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.4 pt20 -67.16 -35.24 79.25 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.036 0.384 . . . . 74.13 112.036 -177.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.2 mm -60.57 -53.32 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 112.213 0.449 . . . . 72.12 112.213 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.2 m -71.03 -27.65 63.82 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.098 0.475 . . . . 74.31 110.54 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.09 -45.15 95.7 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 121.166 -0.54 . . . . 73.35 112.445 172.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 21' ' ' GLN . 96.4 t -64.74 -37.72 80.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 121.117 0.484 . . . . 65.03 111.009 175.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.448 HG21 HD13 ' A' ' 49' ' ' LEU . 69.0 mt -59.06 -39.31 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.095 0.474 . . . . 75.51 111.392 175.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 m -58.67 -22.3 56.57 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.241 0.543 . . . . 75.41 111.503 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -84.49 -1.68 56.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.196 -0.456 . . . . 72.35 112.109 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -74.59 161.37 29.78 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.343 0.592 . . . . 75.23 112.044 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -24.06 58.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.776 -0.647 . . . . 75.11 111.428 -178.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.483 HG21 HD13 ' A' ' 51' ' ' ILE . 4.2 t -91.19 165.41 13.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.147 0.795 . . . . 73.31 113.147 -170.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -88.89 126.3 35.32 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.681 -0.691 . . . . 62.1 111.311 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' B' ' 20' ' ' ASN . 66.9 mt -67.33 94.49 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.226 0.536 . . . . 75.35 110.635 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -73.25 -35.47 66.24 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.389 0.614 . . . . 54.22 110.53 -178.043 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.537 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 23.5 m -158.46 149.42 20.56 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.466 -0.788 . . . . 41.34 110.048 178.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.426 HD12 HD13 ' A' ' 49' ' ' LEU . 18.6 tt -158.15 135.83 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 120.966 0.412 . . . . 75.23 111.684 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.574 HG22 HG13 ' B' ' 37' ' ' VAL . 60.3 t -132.28 104.71 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 116.188 -0.46 . . . . 75.53 111.422 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.545 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.1 tt -107.28 125.11 50.74 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.532 -0.544 . . . . 73.23 109.532 174.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.424 ' O ' ' HA ' ' A' ' 45' ' ' PHE . 8.5 p30 -139.47 127.81 22.74 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.763 0.316 . . . . 65.12 111.2 175.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -93.09 100.2 12.65 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.309 0.576 . . . . 60.23 111.186 176.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.648 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -112.6 139.06 48.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.951 -0.568 . . . . 73.2 110.301 179.078 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.6 t70 63.77 17.46 10.49 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.391 0.615 . . . . 65.43 111.484 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.72 5.52 71.36 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 116.208 -0.451 . . . . 60.51 113.354 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.422 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 8.9 mt -129.07 144.52 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 122.251 -0.558 . . . . 73.41 110.643 176.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.562 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 37.3 p90 -108.65 139.09 43.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.986 0.422 . . . . 63.3 111.704 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 t -115.35 100.54 8.19 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.098 0.475 . . . . 50.4 110.794 173.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.45 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 47.0 t -89.64 101.3 13.99 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.254 -0.43 . . . . 74.05 111.486 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -88.32 108.72 19.48 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.286 -0.416 . . . . 74.31 110.98 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.484 HD23 HD12 ' A' ' 8' ' ' ILE . 58.9 tp -98.21 135.2 40.2 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.67 0.388 . . . . 33.32 111.75 -178.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.537 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 64.7 mmm -125.95 110.35 13.5 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.962 0.41 . . . . 64.25 111.069 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.499 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -140.75 160.15 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 121.007 0.432 . . . . 74.34 111.978 -176.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' HE2' ' HD2' ' A' ' 34' ' ' ARG . 19.2 m-85 -91.79 121.93 33.87 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.296 0.57 . . . . 70.31 112.048 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.9 m -111.58 145.49 17.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 115.844 -0.617 . . . . 71.24 111.402 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.477 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -75.29 -17.99 60.15 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.204 0.446 . . . . 72.0 112.204 176.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.477 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 11.3 p30 -169.59 179.34 3.82 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.87 0.366 . . . . 73.13 111.539 177.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.2 p -69.97 -35.82 74.75 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.286 0.476 . . . . 60.21 112.286 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.16 -36.85 85.39 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.521 0.677 . . . . 72.43 110.124 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -46.38 83.53 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.559 -0.746 . . . . 72.52 110.569 173.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.514 HD13 ' HB1' ' A' ' 6' ' ' ALA . 51.5 tp -65.89 -48.14 72.49 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 111.997 0.369 . . . . 63.45 111.997 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 79.9 p -64.6 -34.62 78.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.715 0.293 . . . . 61.54 111.267 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 74.6 m -61.64 -47.75 83.96 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.522 -0.308 . . . . 72.34 110.748 173.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.7 mt -56.39 -50.96 70.07 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.122 0.415 . . . . 73.3 112.122 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 61.9 mtm -61.87 -35.34 78.04 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.82 0.343 . . . . 74.12 111.184 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -65.65 -39.73 91.72 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.837 0.351 . . . . 75.4 110.335 175.415 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 61' ' ' THR . 56.8 mtpt -57.79 -51.23 70.45 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.235 0.541 . . . . 71.44 111.255 175.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.778 HD13 HD11 ' A' ' 10' ' ' ILE . 38.0 mt -66.72 -30.18 70.35 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.825 -0.625 . . . . 74.21 112.105 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.471 ' HA ' HG21 ' A' ' 75' ' ' VAL . 42.7 ttm180 -71.09 -8.41 53.24 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.096 0.406 . . . . 72.11 112.096 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 26.4 mmtp -88.89 9.47 24.73 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 122.02 -0.425 . . . . 73.44 112.032 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.66 112.28 26.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 121.164 0.507 . . . . 73.13 110.876 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.467 ' H ' ' CD ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -54.11 -22.74 11.8 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.689 0.996 . . . . 72.13 113.689 -178.421 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.595 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -77.28 -14.83 82.14 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.639 -0.791 . . . . 74.35 113.551 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.464 HG23 ' HE1' ' A' ' 18' ' ' MET . 51.9 t -103.39 143.63 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 O-C-N 122.437 -0.449 . . . . 63.45 111.364 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -119.75 -15.2 8.93 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.346 0.499 . . . . 75.3 112.346 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.617 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -133.0 123.92 26.76 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.07 0.462 . . . . 72.24 111.256 175.271 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.471 HG21 ' HA ' ' A' ' 67' ' ' ARG . 41.7 t -133.3 103.13 5.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 109.305 -0.628 . . . . 72.01 109.305 171.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -125.76 162.78 24.3 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.119 -0.492 . . . . 72.53 111.768 -169.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.409 HH11 ' CD2' ' A' ' 59' ' ' LEU . 23.8 ttt85 -87.19 139.74 30.26 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.212 0.529 . . . . 63.33 111.35 175.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 9' ' ' ARG . 95.8 mt -87.05 91.02 8.56 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.218 0.532 . . . . 50.41 110.171 174.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.9 m -63.32 -41.39 98.9 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.818 -0.628 . . . . 62.41 112.316 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -105.38 103.11 12.58 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.936 0.398 . . . . 52.21 110.999 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.2 mt -80.47 141.93 34.74 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.388 0.613 . . . . 75.25 112.143 -177.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -85.24 8.9 16.76 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.723 -0.671 . . . . 73.43 111.301 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -81.35 106.23 13.16 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.08 0.467 . . . . 62.31 111.893 -172.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -148.98 140.34 23.25 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.052 -0.522 . . . . 71.25 110.972 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -75.68 162.53 28.15 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 122.136 -0.353 . . . . 72.43 110.668 176.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.468 ' CG ' ' H ' ' A' ' 87' ' ' HIS . 7.1 t-80 -96.31 -155.53 0.48 Allowed 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 109.919 -0.4 . . . . 74.43 109.919 176.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.468 ' H ' ' CG ' ' A' ' 86' ' ' HIS . 5.0 t60 -47.4 -30.25 3.17 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.307 0.484 . . . . 70.25 112.307 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 18.2 p80 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.409 -0.805 . . . . 74.33 111.039 170.646 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.893 0.378 . . . . 75.52 111.099 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t -109.48 29.83 7.2 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.761 0.791 . . . . 61.03 109.566 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -156.93 176.35 12.87 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.029 -0.987 . . . . 70.42 111.216 -168.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -162.05 157.28 23.25 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.137 0.494 . . . . 72.33 111.358 170.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -81.08 104.12 11.35 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.995 -0.548 . . . . 72.3 110.522 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.596 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -95.48 130.24 42.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.101 -0.5 . . . . 64.45 112.054 -175.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.11 134.68 11.93 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-N 116.144 -0.48 . . . . 63.05 113.098 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.14 150.8 28.84 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 122.671 0.388 . . . . 72.5 110.664 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.487 ' HB2' HD21 ' B' ' 78' ' ' LEU . 74.6 ttt180 -123.9 127.12 47.53 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.941 -0.474 . . . . 53.33 111.065 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.438 HD12 HD11 ' B' ' 26' ' ' ILE . 34.5 mt -113.46 117.92 56.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.1 -0.5 . . . . 72.04 111.342 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.603 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 62.3 t -122.48 118.37 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.531 0.681 . . . . 64.24 110.916 174.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' B' ' 72' ' ' VAL . . . -142.86 166.83 26.49 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.52 -0.763 . . . . 62.14 112.25 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.93 122.81 18.2 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.411 0.624 . . . . 75.33 111.338 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -67.29 103.89 1.36 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.037 -0.529 . . . . 55.22 111.441 -177.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' B' ' 15' ' ' LYS . 7.9 mmpt? -103.42 -177.86 3.49 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.681 0.753 . . . . 75.12 112.145 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -43.49 -43.31 5.33 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.569 -1.196 . . . . 70.14 113.071 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.43 11.06 2.47 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.634 -0.793 . . . . 63.05 114.386 -175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.547 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 29.7 mmm -57.81 -49.65 75.93 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.584 0.587 . . . . 54.43 112.584 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.7 p -55.74 -36.44 67.27 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.91 0.386 . . . . 73.5 111.757 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.564 ' HA ' HD12 ' A' ' 33' ' ' ILE . 45.4 t-20 -76.43 -48.63 19.04 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.085 0.469 . . . . 75.54 110.873 -178.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.547 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -65.23 -35.91 82.51 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.311 -0.404 . . . . 73.42 111.492 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.493 HG13 ' CZ ' ' B' ' 45' ' ' PHE . 10.5 mm -64.01 -53.16 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.054 0.39 . . . . 61.11 112.054 -178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.407 ' HA ' HD12 ' B' ' 26' ' ' ILE . 14.1 m -67.37 -27.14 66.86 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.255 0.55 . . . . 73.33 109.988 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.76 -51.72 57.31 Favored Glycine 0 CA--C 1.528 0.894 0 CA-C-N 115.877 -0.601 . . . . 41.41 112.049 169.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 21' ' ' GLN . 90.1 t -56.31 -37.43 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.242 0.544 . . . . 72.52 110.952 175.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.438 HD11 HD12 ' B' ' 10' ' ' ILE . 72.8 mt -61.0 -43.3 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 116.004 -0.544 . . . . 73.25 111.474 175.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.8 p -69.83 -26.36 64.2 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 121.012 0.434 . . . . 42.23 110.647 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.473 ' HD3' ' HA ' ' B' ' 25' ' ' VAL . 56.1 mtpt -69.7 -6.92 34.93 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.26 -0.427 . . . . 72.21 111.834 176.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -66.94 174.35 3.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.792 0.806 . . . . 72.4 112.278 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.73 15.42 29.38 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.307 -0.86 . . . . 54.13 111.462 -176.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 t -128.86 165.81 20.3 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 120.992 0.425 . . . . 64.21 111.98 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.43 ' O ' HG22 ' B' ' 51' ' ' ILE . 27.3 t-20 -91.29 129.29 37.3 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.151 0.5 . . . . 53.2 112.047 -177.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.464 ' HA ' HG22 ' B' ' 51' ' ' ILE . 61.5 mt -76.26 101.07 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.145 -0.48 . . . . 53.14 111.328 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -74.22 -33.65 63.44 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.225 0.536 . . . . 74.34 110.55 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 18.6 m -157.47 149.85 22.77 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.7 -0.682 . . . . 65.1 110.606 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.545 HG22 ' HB3' ' A' ' 38' ' ' LEU . 18.0 tt -159.81 135.02 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 120.968 0.413 . . . . 70.04 111.405 173.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.574 HG13 HG22 ' A' ' 37' ' ' VAL . 59.3 t -134.91 105.19 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-O 120.767 0.317 . . . . 44.02 111.555 -178.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 35' ' ' THR . 9.2 tt -108.86 128.5 54.96 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 122.396 -0.19 . . . . 73.41 110.734 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -135.87 123.86 22.82 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.082 0.467 . . . . 73.3 111.062 170.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -96.24 119.27 34.43 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.07 0.462 . . . . 74.14 110.737 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.79 145.23 29.85 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.097 -0.501 . . . . 75.11 111.001 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 t70 63.56 19.14 11.55 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 112.673 0.62 . . . . 72.31 112.673 175.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.62 1.97 63.56 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 121.05 -0.595 . . . . 72.41 113.258 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -127.81 169.87 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.715 -0.476 . . . . 73.23 109.715 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.539 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 34.8 p90 -133.84 148.48 51.3 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.954 -0.466 . . . . 74.35 110.898 172.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.8 t -126.17 112.05 15.34 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.944 0.402 . . . . 52.43 110.82 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 51.9 t -108.1 112.43 24.96 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.301 -0.409 . . . . 75.02 111.418 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 3.3 m-20 -93.63 110.74 22.33 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.389 -0.369 . . . . 70.24 110.951 177.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.401 HD13 HG21 ' B' ' 26' ' ' ILE . 53.9 tp -98.58 137.4 37.29 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.954 0.407 . . . . 74.04 111.848 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.549 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 72.4 mmm -127.66 109.97 12.2 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.969 0.414 . . . . 63.43 111.253 176.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.7 pp -138.53 166.53 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 116.304 -0.407 . . . . 55.14 111.408 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -97.15 137.48 36.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.971 0.415 . . . . 72.51 111.828 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 25.8 m -128.66 153.97 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 116.169 -0.469 . . . . 71.2 111.025 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -88.29 -19.87 26.18 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.333 0.494 . . . . 71.12 112.333 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -156.25 172.23 18.84 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 120.991 0.424 . . . . 74.42 111.835 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 74.3 p -68.86 -34.48 75.53 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.723 0.638 . . . . 70.34 112.723 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -65.33 -36.8 85.13 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.442 0.639 . . . . 74.53 109.973 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -57.44 -42.94 83.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.229 -0.896 . . . . 73.14 110.722 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.596 HD13 ' HB1' ' B' ' 6' ' ' ALA . 29.0 tp -67.04 -47.55 71.05 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.92 -0.582 . . . . 73.21 111.503 177.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 64.6 p -65.78 -28.25 68.88 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.927 0.343 . . . . 75.34 111.927 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 98.2 m -66.31 -40.83 90.23 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.885 0.374 . . . . 45.43 111.094 177.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.92 -35.05 74.07 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.379 -0.373 . . . . 62.43 111.185 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 59.0 mtt -58.69 -51.61 69.23 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.28 -0.418 . . . . 72.2 110.812 176.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.01 -44.09 82.45 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.167 -0.47 . . . . 52.43 111.192 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -56.91 -42.35 79.78 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.227 -0.442 . . . . 71.01 111.666 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 60.2 mt -72.7 -38.0 67.67 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.143 0.497 . . . . 72.43 111.562 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.46 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 99.8 mtt180 -65.66 -6.72 12.18 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.422 0.527 . . . . 62.42 112.422 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -71.01 -20.3 62.42 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.118 -0.364 . . . . 72.22 111.307 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -84.43 108.12 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.57 0.7 . . . . 71.32 110.916 177.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . 0.406 ' CD ' ' H ' ' B' ' 70' ' ' GLN . 4.7 pm0 -47.12 -30.61 2.9 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.816 -1.084 . . . . 72.31 112.81 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.48 -27.47 72.57 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 121.23 -0.509 . . . . 65.21 113.887 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.451 ' HA ' ' HA3' ' B' ' 12' ' ' GLY . 57.2 t -88.96 143.45 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 122.328 -0.513 . . . . 74.1 111.24 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.57 -19.2 6.41 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.566 0.58 . . . . 73.34 112.566 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.603 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.7 p -127.23 120.34 28.48 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.073 0.463 . . . . 55.4 112.001 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.46 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 40.6 t -128.59 103.34 9.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.06 -0.719 . . . . 53.14 109.06 169.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -123.67 162.55 22.85 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.38 0.61 . . . . 64.52 112.64 -168.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.481 ' HG3' HD21 ' B' ' 59' ' ' LEU . 9.7 ttm180 -92.01 123.4 35.34 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.812 -0.631 . . . . 75.32 110.968 176.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' B' ' 9' ' ' ARG . 95.8 mt -69.61 -53.98 16.2 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.657 0.265 . . . . 70.23 111.18 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 38.9 t 66.56 -66.41 0.18 Allowed 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.669 0.618 . . . . 63.14 112.669 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.95 112.02 7.7 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.874 0.368 . . . . 63.11 110.609 177.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.8 mt -117.72 158.55 24.52 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.451 0.643 . . . . 62.11 111.619 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -90.9 -16.13 28.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.413 -0.812 . . . . 73.03 111.278 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -51.31 -65.39 0.56 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.829 -0.623 . . . . 74.21 112.099 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -138.55 100.88 4.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.028 0.442 . . . . 65.24 110.733 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -91.25 39.14 0.99 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.594 0.711 . . . . 63.32 110.223 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.431 ' HE1' ' HB2' ' B' ' 88' ' ' HIS . 32.0 t-80 -110.97 139.96 45.88 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.726 -0.67 . . . . 74.02 111.991 -173.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -134.8 127.85 31.64 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.698 174.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . 0.431 ' HB2' ' HE1' ' B' ' 86' ' ' HIS . 59.9 t-80 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.893 -0.575 . . . . 65.11 111.502 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 120.561 0.22 . . . . 31.11 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.1 m -125.95 120.25 29.88 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 122.279 -0.263 . . . . 52.05 110.374 173.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -64.98 142.58 58.39 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.068 0.461 . . . . 70.31 111.563 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -133.08 155.64 48.87 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.976 0.417 . . . . 73.23 110.655 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.0 tp -81.41 102.93 10.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.345 0.593 . . . . 74.21 110.81 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.424 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -93.89 145.53 24.56 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.718 -0.674 . . . . 70.22 111.997 -176.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -117.79 144.23 18.11 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 121.118 -0.563 . . . . 64.42 113.541 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.1 mt -130.99 130.7 64.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.631 0.373 . . . . 75.03 110.856 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -105.3 124.64 49.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.822 0.344 . . . . 72.22 111.339 177.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.738 HD11 HD13 ' A' ' 66' ' ' LEU . 47.9 mt -117.68 117.6 55.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.179 -0.464 . . . . 75.04 110.966 178.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.63 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 66.3 t -118.46 118.49 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 121.651 0.739 . . . . 62.21 111.381 175.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.92 170.87 25.1 Favored Glycine 0 CA--C 1.522 0.511 0 CA-C-N 115.339 -0.846 . . . . 71.11 111.904 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -71.97 142.69 49.4 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.22 0.533 . . . . 61.15 112.393 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.29 83.78 0.77 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.137 0.494 . . . . 62.31 111.366 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HB2' ' CG ' ' A' ' 18' ' ' MET . 34.6 mttp -101.36 154.82 18.46 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.319 0.581 . . . . 64.12 112.474 170.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -41.84 -39.03 1.66 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.326 1.232 . . . . 70.35 114.326 -176.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.46 2.08 15.97 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 120.789 -0.72 . . . . 64.44 113.932 -176.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.516 ' SD ' ' HA3' ' A' ' 71' ' ' GLY . 37.2 mmm -69.24 -51.47 37.3 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.803 0.668 . . . . 71.13 112.803 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.7 p -62.54 -31.66 72.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.955 0.407 . . . . 72.33 111.598 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -76.14 -48.07 21.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.87 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.9 pt20 -63.78 -38.3 90.59 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.493 -0.321 . . . . 73.44 111.53 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.436 HD11 ' CG2' ' A' ' 72' ' ' VAL . 11.2 mm -59.0 -53.96 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.854 0.359 . . . . 70.01 111.938 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -72.43 -27.18 62.17 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.307 0.575 . . . . 72.22 110.453 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.9 -46.55 93.92 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 121.194 -0.527 . . . . 73.45 112.151 172.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.552 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 84.4 t -62.71 -41.29 91.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 120.907 0.384 . . . . 75.31 110.776 175.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.433 HG21 HD13 ' A' ' 49' ' ' LEU . 72.6 mt -55.71 -44.88 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 116.165 -0.471 . . . . 71.04 111.76 175.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.5 p -65.92 -21.28 66.43 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 122.156 -0.34 . . . . 75.15 111.344 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 25' ' ' VAL . 53.5 mtmt -81.32 4.22 21.39 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.199 0.444 . . . . 74.51 112.199 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -79.49 167.84 20.24 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.626 0.726 . . . . 64.51 111.98 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -84.43 -21.45 30.73 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.531 -0.759 . . . . 64.4 111.795 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.2 t -87.35 158.13 19.1 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.18 0.514 . . . . 60.01 112.238 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -87.23 125.9 34.48 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.299 -0.41 . . . . 74.24 111.591 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' B' ' 20' ' ' ASN . 69.4 mt -69.39 104.04 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 116.385 -0.37 . . . . 73.35 110.971 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -83.99 -33.18 24.62 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.146 0.498 . . . . 64.34 110.647 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 61.4 m -155.1 132.3 10.99 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.996 -0.547 . . . . 53.44 110.908 175.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.67 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.6 tp -135.74 128.15 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.072 0.463 . . . . 74.23 110.373 174.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 62.8 t -126.16 142.56 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.535 -0.302 . . . . 71.51 110.533 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.634 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.2 tt -145.56 136.65 24.74 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.936 -0.394 . . . . 74.22 109.936 175.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 45' ' ' PHE . 8.7 p30 -151.02 128.77 11.58 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.777 0.323 . . . . 63.33 110.858 173.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -102.6 106.14 16.77 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.12 0.486 . . . . 52.13 111.484 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.694 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -121.92 145.37 48.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.703 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 63.05 7.78 2.9 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.545 0.572 . . . . 64.52 112.545 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.34 -1.14 46.65 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 121.315 -0.469 . . . . 55.24 113.329 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.0 mt -126.11 150.47 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 122.61 -0.347 . . . . 55.24 110.783 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.553 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 37.5 p90 -116.42 146.8 42.24 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.199 0.523 . . . . 64.22 111.792 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -121.58 106.76 11.66 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.951 -0.568 . . . . 70.5 110.938 174.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.67 ' SG ' HD11 ' A' ' 36' ' ' ILE . 49.7 t -95.07 123.03 38.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.294 -0.412 . . . . 73.44 111.568 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -103.73 108.65 20.03 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.53 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.459 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 40.8 tp -98.08 131.33 44.57 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.838 0.351 . . . . 65.52 111.863 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.568 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 63.8 mmm -127.89 112.5 14.78 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.395 -0.366 . . . . 73.43 111.318 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.437 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.6 pp -143.11 162.12 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 116.303 -0.408 . . . . 73.02 111.719 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -92.08 137.83 32.04 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.86 0.362 . . . . 65.11 111.968 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.8 m -132.55 152.04 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.812 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.472 ' H ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.5 -17.73 35.57 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.22 0.452 . . . . 73.51 112.22 179.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -154.25 167.82 28.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.778 0.323 . . . . 73.21 111.27 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -73.72 -31.33 63.32 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.841 0.682 . . . . 74.43 112.841 -175.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -67.21 -33.86 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.494 0.664 . . . . 75.42 110.625 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -57.16 -36.58 70.92 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.467 -0.788 . . . . 72.54 110.837 173.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.503 ' HG ' ' HE3' ' A' ' 63' ' ' MET . 61.3 tp -71.64 -47.68 52.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.998 -0.546 . . . . 63.25 111.684 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.4 p -62.92 -30.1 71.29 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.889 0.376 . . . . 63.13 111.73 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 100.0 m -61.62 -41.71 97.86 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.035 0.445 . . . . 74.23 111.462 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.38 -39.85 94.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.952 0.406 . . . . 64.15 111.577 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.505 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 58.2 mtt -52.18 -49.75 63.23 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.147 -0.479 . . . . 42.24 111.454 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.75 -42.47 93.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.254 -0.43 . . . . 64.34 110.818 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -58.55 -35.65 72.67 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.043 0.449 . . . . 73.32 111.446 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.738 HD13 HD11 ' A' ' 10' ' ' ILE . 64.1 mt -79.92 -26.7 40.04 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.972 -0.558 . . . . 52.23 111.778 179.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 63' ' ' MET . 1.0 OUTLIER -72.61 -7.4 50.05 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.207 0.447 . . . . 74.43 112.207 179.003 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -72.53 -6.98 47.66 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 111.793 0.294 . . . . 71.25 111.793 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.409 HG21 HD13 ' A' ' 22' ' ' ILE . 92.8 t -89.7 117.48 33.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-O 121.104 0.478 . . . . 52.34 111.519 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -54.72 -33.73 61.48 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.057 0.762 . . . . 64.35 113.057 -177.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.516 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -76.66 -12.71 84.21 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 121.092 -0.575 . . . . 51.13 114.292 -175.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.436 ' CG2' HD11 ' A' ' 22' ' ' ILE . 50.4 t -91.46 149.0 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 117.551 0.675 . . . . 72.43 111.748 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.38 -14.06 4.29 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.371 0.508 . . . . 70.45 112.371 175.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.63 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 3.1 p -131.98 125.2 30.99 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.01 0.433 . . . . 62.42 111.531 175.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.2 t -139.62 105.14 2.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 109.658 -0.497 . . . . 65.04 109.658 173.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -141.42 178.1 7.66 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.136 0.421 . . . . 62.42 112.136 -174.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -90.31 152.77 20.88 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.741 0.645 . . . . 75.51 112.741 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.7 mt -109.54 105.17 14.38 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.489 -0.778 . . . . 75.52 110.45 172.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.8 t -92.82 -20.58 20.57 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 120.758 0.314 . . . . 53.5 111.784 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -98.96 98.95 9.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.301 0.572 . . . . 73.31 111.187 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.5 mt -104.32 155.16 19.0 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.8 0.667 . . . . 74.2 112.8 -174.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -114.31 43.28 1.91 Allowed 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.562 -0.745 . . . . 52.05 110.865 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.442 ' CE1' ' HG3' ' A' ' 50' ' ' MET . 27.3 m-70 -111.08 -28.16 8.43 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.434 0.901 . . . . 75.05 113.434 -172.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 86' ' ' HIS . 98.5 m-70 -65.52 -49.0 70.57 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 112.534 0.568 . . . . 74.42 112.534 -174.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 48.38 -71.12 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 113.765 1.024 . . . . 73.23 113.765 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 84' ' ' HIS . 48.7 t-80 -79.36 94.18 5.47 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.598 -0.689 . . . . 72.44 111.463 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 -104.65 -16.81 14.88 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.162 -0.472 . . . . 62.13 110.764 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.741 -0.647 . . . . 74.3 110.915 176.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 120.505 0.193 . . . . 53.43 111.169 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.7 t -67.86 -13.01 61.8 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.132 0.491 . . . . 60.24 110.903 172.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.85 144.71 54.47 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.625 -0.716 . . . . 63.13 110.716 174.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -137.62 158.82 43.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.246 0.546 . . . . 74.11 111.562 -178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.501 ' O ' HD11 ' B' ' 81' ' ' LEU . 56.4 tp -78.66 104.79 9.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.867 -0.606 . . . . 72.03 110.528 176.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.517 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -93.52 127.61 39.26 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.893 0.378 . . . . 74.21 111.524 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.0 147.78 17.48 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.326 -0.464 . . . . 74.25 112.591 177.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.487 HD12 HD23 ' B' ' 49' ' ' LEU . 58.1 mt -133.49 126.72 52.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 117.227 0.514 . . . . 54.1 111.535 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.511 ' HB2' HD21 ' B' ' 78' ' ' LEU . 11.4 tpp85 -97.18 118.79 34.4 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.843 0.354 . . . . 64.25 111.182 175.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.557 HD11 HD13 ' B' ' 66' ' ' LEU . 41.9 mt -117.28 118.08 57.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-N 116.506 -0.315 . . . . 51.04 111.23 178.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.603 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 54.8 t -122.23 122.55 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.535 0.683 . . . . 71.33 111.575 175.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.09 171.12 31.44 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.66 -0.7 . . . . 71.41 112.951 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.1 135.89 47.92 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-O 120.945 0.402 . . . . 73.41 111.95 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.95 47.79 0.67 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.079 0.77 . . . . 73.3 113.079 -171.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -80.8 170.09 16.74 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 114.86 1.43 . . . . 73.21 114.86 -171.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -63.68 73.98 0.03 OUTLIER 'General case' 0 C--O 1.235 0.325 0 CA-C-N 113.609 -1.632 . . . . 75.32 112.468 -169.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.36 -14.91 5.58 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.27 -0.877 . . . . 72.31 112.856 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.527 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 33.0 mmm -62.39 -52.41 63.71 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.375 0.509 . . . . 74.51 112.375 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 60.3 p -60.48 -31.05 70.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.038 0.446 . . . . 71.51 111.632 177.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.44 ' HA ' HD12 ' A' ' 33' ' ' ILE . 15.0 m120 -75.13 -43.62 51.6 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.235 -0.439 . . . . 75.21 111.114 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.503 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -73.66 -34.75 65.08 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.154 -0.475 . . . . 71.53 111.86 -176.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.438 ' O ' HG13 ' B' ' 26' ' ' ILE . 12.6 mm -61.71 -54.32 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.206 0.447 . . . . 75.13 112.206 -176.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -74.12 -27.02 60.67 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.207 0.527 . . . . 64.11 110.254 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.452 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.43 -49.66 76.1 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.974 -0.557 . . . . 44.15 112.541 173.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 21' ' ' GLN . 86.4 t -63.52 -38.49 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 O-C-N 122.328 -0.513 . . . . 73.14 111.231 177.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.453 HG21 HD13 ' B' ' 49' ' ' LEU . 74.4 mt -56.86 -43.84 80.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 112.017 0.377 . . . . 62.45 112.017 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 83.4 p -62.74 -22.0 66.23 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.889 0.376 . . . . 65.34 111.578 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 57.4 mttm -81.09 -0.1 38.44 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 111.999 0.37 . . . . 74.13 111.999 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -73.62 164.4 26.71 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.481 0.658 . . . . 72.11 112.349 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.13 -31.2 68.62 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.424 -0.807 . . . . 71.23 111.165 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 8.0 t -88.28 168.07 13.02 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.335 -0.848 . . . . 73.02 112.322 -172.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -102.91 128.27 49.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.175 -0.466 . . . . 72.03 111.743 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.433 ' HA ' HG22 ' B' ' 51' ' ' ILE . 62.0 mt -70.55 104.35 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-N 116.151 -0.477 . . . . 74.33 111.499 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 32.5 mmm-85 -82.7 -30.84 28.9 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.27 0.557 . . . . 54.21 110.459 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 77.8 m -155.03 147.01 23.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.914 -0.585 . . . . 72.32 110.597 177.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.634 HG22 ' HB3' ' A' ' 38' ' ' LEU . 18.8 tt -160.26 139.53 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 120.954 0.407 . . . . 72.01 111.314 174.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 95.8 t -137.08 105.28 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 116.533 -0.303 . . . . 75.13 111.34 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.628 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.8 tt -108.87 113.91 27.23 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.825 -0.435 . . . . 71.32 109.825 173.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -132.35 127.78 36.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.021 0.438 . . . . 72.34 111.251 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.557 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -94.91 108.07 20.11 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.173 0.511 . . . . 64.34 112.079 -178.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.718 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.1 OUTLIER -114.06 137.92 51.08 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.074 -0.512 . . . . 74.44 110.65 177.213 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 60.15 16.74 6.27 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.22 0.452 . . . . 65.13 112.22 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.74 11.19 64.12 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.576 -0.345 . . . . 73.34 113.478 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mt -129.46 142.18 44.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 122.331 -0.511 . . . . 74.5 110.193 173.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.557 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 38.4 p90 -108.16 143.28 37.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.924 0.392 . . . . 72.53 111.297 -177.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -119.05 99.26 6.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.333 0.587 . . . . 74.04 110.873 175.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 53.7 t -94.06 107.66 19.56 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.951 -0.568 . . . . 72.05 111.996 -178.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 97.4 m-20 -90.04 112.5 23.96 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.691 -0.231 . . . . 75.25 110.79 174.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.487 HD23 HD12 ' B' ' 8' ' ' ILE . 51.7 tp -98.5 132.08 44.22 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.693 0.282 . . . . 73.22 111.31 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.536 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.3 mmm -124.34 109.72 13.69 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.007 0.432 . . . . 55.34 111.312 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.433 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -141.78 161.01 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 CA-C-N 116.101 -0.5 . . . . 73.41 111.792 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -93.81 137.89 32.56 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.242 0.544 . . . . 65.51 112.285 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 12.2 m -132.61 154.51 40.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.138 -0.483 . . . . 73.33 111.13 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.564 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 17.2 tppt? -75.36 -45.87 36.65 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.384 -0.371 . . . . 70.32 111.249 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.564 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 33.7 m-80 -134.76 165.2 25.83 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.011 0.434 . . . . 64.52 111.548 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 78.2 p -68.25 -26.45 65.68 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.329 -0.396 . . . . 72.03 111.803 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.04 -38.77 92.29 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.795 0.807 . . . . 72.22 110.422 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -59.52 -38.85 82.05 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.302 -0.863 . . . . 73.34 110.527 172.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.517 HD13 ' HB1' ' B' ' 6' ' ' ALA . 39.2 tp -67.86 -45.66 73.95 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.923 -0.581 . . . . 43.25 111.569 177.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 72.3 p -62.35 -37.04 84.13 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.881 0.372 . . . . 72.21 111.237 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 67.0 m -57.86 -41.88 83.35 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.314 -0.403 . . . . 70.32 111.188 175.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.0 mt -64.58 -42.38 95.67 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.702 -0.226 . . . . 74.23 111.527 178.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.453 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 47.6 mtt -52.66 -54.39 34.02 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.34 0.59 . . . . 73.33 110.308 175.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -53.74 -44.68 70.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.105 -0.952 . . . . 74.34 111.254 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 61' ' ' THR . 49.4 mtpt -59.09 -40.17 84.45 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.146 0.498 . . . . 75.32 111.707 177.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.557 HD13 HD11 ' B' ' 10' ' ' ILE . 51.8 mt -76.14 -26.98 56.83 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.168 0.509 . . . . 74.23 111.583 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' B' ' 63' ' ' MET . 92.3 mtt180 -74.87 -7.55 53.81 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.319 0.489 . . . . 73.5 112.319 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -72.48 -15.56 61.8 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 122.202 -0.311 . . . . 61.1 111.533 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 51.3 t -84.16 123.83 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 121.048 0.452 . . . . 64.34 111.632 -175.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -59.88 -36.32 76.68 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.929 -0.578 . . . . 60.21 112.537 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.527 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -70.24 -17.53 74.17 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 121.098 -0.573 . . . . 70.21 114.208 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.425 HG23 ' HE1' ' B' ' 18' ' ' MET . 60.4 t -92.36 145.53 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 122.154 -0.615 . . . . 73.2 111.268 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.33 -8.99 5.24 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.406 0.521 . . . . 71.12 112.406 176.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.603 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.0 p -136.02 121.91 19.95 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.891 0.377 . . . . 72.24 111.497 174.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 49.2 t -139.64 103.81 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 110.096 -0.335 . . . . 73.44 110.096 173.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -136.85 164.83 27.38 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.574 -0.284 . . . . 51.35 110.354 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -87.42 152.32 22.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.877 0.846 . . . . 73.14 111.476 176.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' B' ' 9' ' ' ARG . 96.0 mt -94.63 82.03 3.92 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.977 -1.01 . . . . 70.22 109.62 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 32.4 t -56.43 -44.48 80.45 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.211 -0.449 . . . . 75.21 111.81 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -97.88 106.43 18.73 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.256 0.551 . . . . 60.54 110.671 175.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.501 HD11 ' O ' ' B' ' 5' ' ' LEU . 28.0 mt -78.06 152.78 32.78 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.64 0.978 . . . . 74.04 113.64 -172.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -93.3 31.84 1.43 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 114.461 -1.245 . . . . 73.53 110.677 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -107.55 66.37 0.66 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.441 0.639 . . . . 73.44 111.476 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -150.24 48.11 0.9 Allowed 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.552 -0.749 . . . . 74.41 110.314 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -80.77 5.08 16.86 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 112.503 0.557 . . . . 73.14 112.503 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -105.77 108.69 20.34 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.017 0.437 . . . . 64.11 110.439 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -65.49 164.19 14.45 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.385 0.883 . . . . 72.55 113.385 -173.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 . . . . . 0 C--O 1.25 1.095 0 CA-C-N 115.213 -0.903 . . . . 73.51 111.084 173.876 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.433 ' SD ' ' HG2' ' A' ' 54' ' ' LYS . 25.2 mmt . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 120.807 0.337 . . . . 74.42 111.562 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' ' 54' ' ' LYS . 8.8 m -93.89 33.65 1.3 Allowed 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.882 0.849 . . . . 72.5 109.135 171.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.488 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 8.5 p-10 -64.04 139.2 58.74 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.546 0.943 . . . . 75.03 113.546 -168.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -145.52 154.1 41.83 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.42 -0.809 . . . . 51.43 109.809 173.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.9 tp -78.72 103.35 8.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.215 0.531 . . . . 74.53 110.96 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.449 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -93.93 153.4 18.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.696 -0.684 . . . . 62.01 111.557 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.503 ' HA3' ' HB2' ' A' ' 78' ' ' LEU . . . -132.05 147.15 18.62 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.139 -0.553 . . . . 75.42 112.964 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.609 HD12 HD23 ' A' ' 49' ' ' LEU . 49.6 mt -127.54 136.83 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-O 120.876 0.369 . . . . 73.53 110.735 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.501 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 20.4 tpt180 -110.22 120.22 41.74 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.484 -0.325 . . . . 71.32 111.216 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.846 HD11 HD13 ' A' ' 66' ' ' LEU . 63.5 mt -123.15 131.44 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 111.83 0.307 . . . . 65.22 111.83 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.5 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 25.3 t -132.85 119.44 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.568 0.699 . . . . 63.45 110.72 169.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.91 161.54 26.31 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 115.512 -0.767 . . . . 61.43 112.428 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.77 128.87 37.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.288 0.566 . . . . 74.34 111.868 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.95 107.33 4.63 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.917 -0.583 . . . . 64.2 111.749 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -133.64 164.92 26.12 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.718 0.77 . . . . 71.35 112.828 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -43.46 -35.02 1.47 Allowed 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.152 -1.386 . . . . 70.24 114.332 -174.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.79 -5.5 13.78 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 120.654 -0.784 . . . . 74.45 114.049 -176.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.464 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 63.2 mmm -72.13 -52.29 17.38 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.99 0.737 . . . . 75.34 112.99 -174.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.1 p -60.92 -32.58 72.07 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.96 0.409 . . . . 72.14 111.535 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.4 ' HA ' HD12 ' B' ' 33' ' ' ILE . 14.9 m120 -75.79 -45.77 34.34 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.001 0.429 . . . . 70.2 111.013 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.469 ' O ' HG23 ' A' ' 25' ' ' VAL . 9.4 pt20 -70.33 -35.6 73.72 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.502 -0.317 . . . . 54.03 111.847 -176.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.593 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 12.7 mm -60.71 -54.59 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 112.394 0.516 . . . . 73.35 112.394 -177.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -74.1 -27.65 60.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.094 0.473 . . . . 63.03 110.521 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -61.0 -52.13 54.2 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 121.114 -0.565 . . . . 70.53 112.523 174.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 21' ' ' GLN . 97.6 t -58.73 -40.27 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-O 120.816 0.341 . . . . 65.53 111.54 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.475 HG21 HD13 ' A' ' 49' ' ' LEU . 70.9 mt -55.71 -42.83 71.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.14 0.495 . . . . 72.4 111.73 175.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.8 m -60.27 -22.04 62.64 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 116.15 -0.477 . . . . 71.25 111.727 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 43.3 mtpt -85.87 -4.93 59.29 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.064 -0.517 . . . . 75.22 112.371 -172.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -67.61 171.72 5.96 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.691 0.758 . . . . 72.11 112.603 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.77 -33.84 60.2 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.408 -0.815 . . . . 73.42 110.762 178.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -82.9 160.78 22.05 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.562 -0.745 . . . . 71.51 112.574 -174.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -95.25 130.22 42.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.889 -0.596 . . . . 74.23 111.273 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.53 ' HA ' HG22 ' A' ' 51' ' ' ILE . 61.3 mt -67.49 111.15 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.573 -177.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.524 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -84.14 -36.53 22.83 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.22 0.533 . . . . 63.12 110.505 178.251 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 87.9 m -158.88 132.44 7.42 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.807 -0.633 . . . . 65.1 110.56 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.609 HG22 ' HB3' ' B' ' 38' ' ' LEU . 10.5 tp -134.17 138.18 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.028 0.442 . . . . 71.33 110.823 177.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 64.7 t -135.67 136.19 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 116.33 -0.395 . . . . 74.23 110.667 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.662 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.0 tt -144.62 123.45 12.66 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.734 -0.469 . . . . 64.33 109.734 173.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -139.09 138.67 37.29 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.887 0.375 . . . . 54.41 111.47 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -103.34 121.64 43.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.383 0.611 . . . . 31.51 111.297 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -136.27 143.18 44.1 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.507 -0.769 . . . . 74.25 110.54 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 60.77 10.14 2.54 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.044 0.757 . . . . 65.23 113.044 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.31 -9.81 39.07 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 121.426 -0.416 . . . . 60.31 113.524 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.6 mt -119.26 159.88 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 122.634 -0.333 . . . . 61.14 110.157 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.593 ' CZ ' HG13 ' A' ' 22' ' ' ILE . 21.3 p90 -119.01 149.76 41.1 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.964 -0.46 . . . . 74.33 110.791 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 t -124.0 119.75 30.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.09 0.471 . . . . 64.5 111.1 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 42.4 t -111.3 129.15 56.08 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.124 -0.489 . . . . 35.02 112.062 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.438 ' O ' HD12 ' A' ' 36' ' ' ILE . 90.1 m-20 -108.67 114.83 28.96 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.373 -0.376 . . . . 74.02 110.524 175.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 8' ' ' ILE . 38.6 tp -99.56 119.72 38.51 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.769 0.319 . . . . 60.4 111.858 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.513 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 68.1 mmm -115.78 111.99 21.33 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.896 0.379 . . . . 64.24 111.068 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.53 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.4 pp -142.47 159.54 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.981 0.42 . . . . 71.43 111.827 -177.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -94.6 133.64 38.03 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.046 0.45 . . . . 73.41 111.916 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 3.1 m -133.13 154.15 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 116.45 -0.341 . . . . 65.12 110.558 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.488 ' O ' ' HB ' ' A' ' 2' ' ' THR . 0.0 OUTLIER -86.14 -33.68 20.79 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.893 0.377 . . . . 72.22 111.285 178.26 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -132.61 145.82 51.4 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.51 -0.313 . . . . 72.25 110.947 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.7 p -63.14 -25.95 68.59 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.904 0.383 . . . . 54.11 111.643 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.81 -36.45 81.16 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.727 0.775 . . . . 53.02 110.242 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -62.22 -46.4 89.04 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.114 -0.948 . . . . 72.54 111.007 174.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.449 HD22 ' HB1' ' A' ' 6' ' ' ALA . 65.2 tp -62.87 -47.5 83.09 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.109 -0.496 . . . . 72.24 111.868 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.4 p -61.56 -30.17 70.49 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.761 0.315 . . . . 74.34 111.658 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.9 m -65.91 -43.87 86.88 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.314 -0.403 . . . . 71.44 111.63 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.79 -34.51 71.55 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.799 0.333 . . . . 64.42 111.481 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' A' ' 77' ' ' ARG . 62.2 mtt -54.93 -52.11 63.98 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.104 0.478 . . . . 74.15 110.997 175.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.46 -43.85 84.32 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.82 -0.627 . . . . 45.25 110.739 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -58.4 -47.22 84.6 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.109 -0.496 . . . . 63.41 111.899 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.846 HD13 HD11 ' A' ' 10' ' ' ILE . 81.4 mt -73.66 -26.54 60.8 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.178 0.513 . . . . 54.11 111.927 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -73.47 -8.38 55.65 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 116.379 -0.373 . . . . 74.53 111.925 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -79.09 -5.37 53.9 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 111.982 0.364 . . . . 74.0 111.982 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.509 HG11 HD11 ' A' ' 22' ' ' ILE . 89.1 t -76.4 134.7 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.693 0.759 . . . . 72.32 112.145 -175.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -49.11 -48.73 44.24 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.605 -1.18 . . . . 74.13 113.941 -176.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.89 4.61 63.27 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.775 -0.726 . . . . 41.53 114.794 -170.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.1 t -93.37 131.04 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-N 117.954 0.877 . . . . 62.32 111.562 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -120.81 -2.47 9.81 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.371 0.508 . . . . 74.14 112.371 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.5 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 29.9 p -138.83 122.12 17.05 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.746 0.308 . . . . 75.05 111.516 177.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.75 105.28 6.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 120.821 0.343 . . . . 74.41 110.355 174.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.501 ' HB2' ' HB3' ' A' ' 9' ' ' ARG . 40.7 mt-10 -122.92 177.7 5.38 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.284 0.564 . . . . 73.41 112.203 -174.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.465 ' HB2' ' CE ' ' A' ' 63' ' ' MET . 10.5 ttp180 -104.21 127.66 51.86 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.772 -0.649 . . . . 65.23 111.144 172.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.503 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . 95.9 mt -76.12 91.0 3.1 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.042 0.449 . . . . 75.11 110.189 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.7 t -78.47 -52.63 8.25 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.145 0.498 . . . . 71.41 111.045 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -86.93 101.71 13.66 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.311 0.577 . . . . 50.1 110.996 176.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.5 mt -92.65 166.41 12.49 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.3 0.571 . . . . 71.44 112.279 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.59 18.84 17.29 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.865 -0.607 . . . . 72.31 111.538 174.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -80.33 76.29 7.13 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.063 0.459 . . . . 62.23 111.288 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -108.29 124.51 50.44 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.28 -0.418 . . . . 73.4 111.309 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -73.23 77.72 1.3 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.284 0.564 . . . . 65.31 110.544 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.479 ' O ' ' HB3' ' A' ' 87' ' ' HIS . 13.9 t-80 -75.86 143.33 41.84 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.419 -0.586 . . . . 72.35 109.419 177.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 86' ' ' HIS . 33.4 t-80 67.65 88.83 0.11 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.309 0.576 . . . . 55.45 110.312 -172.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 30.1 p80 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.756 -0.64 . . . . 71.04 111.96 -175.363 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 120.706 0.289 . . . . 74.44 111.56 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 35.8 m -84.67 130.72 34.67 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.261 0.467 . . . . 74.13 112.261 -176.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -130.96 154.54 48.03 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.069 -0.514 . . . . 70.01 109.846 171.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -132.06 157.15 44.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.246 0.546 . . . . 64.43 111.308 -176.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 53.7 tp -80.73 103.46 10.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.635 . . . . 63.05 110.838 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.466 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -97.69 140.53 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.716 -0.675 . . . . 62.42 111.703 -177.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.56 146.37 18.72 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 121.205 -0.521 . . . . 72.35 112.951 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 20.9 mt -136.08 125.84 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 O-C-N 122.653 -0.322 . . . . 65.11 110.603 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.49 ' HB2' HD21 ' B' ' 78' ' ' LEU . 33.0 ttp-105 -103.56 123.01 46.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.935 0.398 . . . . 74.23 111.144 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.599 HD11 HD13 ' B' ' 66' ' ' LEU . 41.7 mt -108.86 116.92 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 116.065 -0.516 . . . . 70.11 110.698 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.596 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 76.0 t -114.63 114.62 47.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 CA-C-O 121.408 0.623 . . . . 31.41 111.049 177.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.2 166.76 25.95 Favored Glycine 0 CA--C 1.523 0.583 0 CA-C-N 115.769 -0.65 . . . . 64.43 112.97 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.458 ' HG3' ' HD3' ' B' ' 15' ' ' LYS . 7.8 pt-20 -60.93 117.97 6.12 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 121.226 0.536 . . . . 74.31 112.226 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.56 101.8 0.37 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.16 -0.473 . . . . 71.24 111.126 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.458 ' HD3' ' HG3' ' B' ' 13' ' ' GLU . 49.2 mtpt -138.53 168.65 19.31 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.911 1.078 . . . . 72.52 113.911 -173.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -51.69 -31.01 24.22 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.068 -1.424 . . . . 65.21 114.24 -172.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.26 -16.6 5.16 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.657 -0.782 . . . . 42.42 113.845 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.559 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 61.6 mmm -65.07 -51.8 59.36 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.377 0.88 . . . . 70.32 113.377 -173.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 64.3 p -60.55 -31.9 70.99 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.8 0.333 . . . . 73.41 111.595 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -76.51 -48.17 20.35 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.168 0.509 . . . . 55.04 111.127 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.525 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.1 pt20 -66.33 -39.97 89.6 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.118 -0.492 . . . . 75.31 111.622 -176.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.446 HG13 ' HZ ' ' B' ' 45' ' ' PHE . 9.9 mm -60.19 -54.47 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 112.501 0.556 . . . . 74.45 112.501 -176.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 13.3 m -74.15 -26.95 60.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.171 0.51 . . . . 74.42 110.624 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.94 -43.59 97.96 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.991 -0.623 . . . . 52.23 112.202 171.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.583 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 77.2 t -60.91 -39.16 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 122.748 -0.266 . . . . 63.3 111.139 175.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.729 HD12 HD22 ' B' ' 49' ' ' LEU . 51.3 mm -52.36 -48.46 44.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-O 121.035 0.445 . . . . 73.14 111.792 176.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 60.7 p -62.87 -22.45 66.71 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.052 0.39 . . . . 75.14 112.052 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.583 ' HE3' ' HA ' ' B' ' 25' ' ' VAL . 10.0 mtmp? -78.7 -6.72 56.54 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.267 0.469 . . . . 71.2 112.267 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -67.63 162.48 23.48 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.741 0.782 . . . . 74.35 112.403 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -80.49 -21.89 41.51 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.325 -0.852 . . . . 55.42 111.671 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 6.4 t -86.24 155.99 20.47 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.162 0.506 . . . . 70.42 111.95 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.407 ' O ' HG22 ' B' ' 51' ' ' ILE . 26.9 t-20 -90.54 129.49 36.69 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.106 0.479 . . . . 75.35 111.619 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.445 ' HA ' HG22 ' B' ' 51' ' ' ILE . 65.5 mt -66.72 120.43 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 115.989 -0.55 . . . . 64.23 111.426 -178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -97.06 -39.02 9.53 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.315 0.579 . . . . 70.23 110.512 176.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 55.3 m -152.24 132.06 13.26 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.735 -0.666 . . . . 72.12 110.799 174.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.677 HD11 ' SG ' ' B' ' 47' ' ' CYS . 9.8 tp -133.81 132.92 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 120.859 0.361 . . . . 50.42 110.462 174.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 57.8 t -134.87 143.93 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.743 0.306 . . . . 72.51 110.656 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' A' ' 36' ' ' ILE . 7.9 tt -144.32 115.71 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.081 -0.387 . . . . 72.32 110.048 175.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -130.76 134.75 47.15 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.891 0.377 . . . . 74.15 110.959 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -99.78 112.6 24.84 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.425 0.631 . . . . 63.23 111.637 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -125.02 144.35 50.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.525 -0.762 . . . . 73.21 110.339 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 61.42 15.97 7.08 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.134 0.42 . . . . 72.2 112.134 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.95 5.92 67.64 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 121.407 -0.425 . . . . 54.24 113.23 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.8 mt -128.85 151.15 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 122.725 0.41 . . . . 64.42 110.227 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.54 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 37.4 p90 -113.15 143.62 44.05 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.857 -0.527 . . . . 65.1 111.539 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 1.8 t -118.28 106.3 12.64 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.01 -0.541 . . . . 72.44 111.197 176.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.677 ' SG ' HD11 ' B' ' 36' ' ' ILE . 42.2 t -91.33 114.27 26.75 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.105 -0.498 . . . . 63.23 111.076 177.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -100.8 109.92 21.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.697 0.399 . . . . 74.13 111.066 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.729 HD22 HD12 ' B' ' 26' ' ' ILE . 52.4 tp -98.41 130.87 45.04 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.957 0.408 . . . . 73.41 111.711 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.486 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.3 mmm -123.28 111.02 15.93 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.224 -0.443 . . . . 74.32 110.72 176.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.445 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.5 pp -143.24 162.1 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 116.337 -0.392 . . . . 75.13 111.677 -177.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -91.33 132.92 35.85 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.948 0.404 . . . . 74.15 111.661 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 19.9 m -122.04 144.22 32.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.144 -0.48 . . . . 72.21 111.023 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.461 ' HG3' HD22 ' B' ' 55' ' ' ASN . 17.4 ptmt -79.35 -14.17 59.15 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.41 0.522 . . . . 74.34 112.41 -178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.461 HD22 ' HG3' ' B' ' 54' ' ' LYS . 10.9 p30 -163.77 172.1 14.6 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.823 0.344 . . . . 71.45 111.392 174.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -72.03 -33.85 68.34 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.86 0.689 . . . . 63.21 112.86 -176.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.54 -35.43 80.21 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.535 0.683 . . . . 71.31 110.298 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -57.8 -43.71 85.85 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.349 -0.842 . . . . 72.11 110.757 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.466 HD13 ' HB1' ' B' ' 6' ' ' ALA . 33.9 tp -63.5 -46.6 85.38 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.85 -0.613 . . . . 70.21 111.666 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 34.3 p -65.56 -29.95 70.63 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 111.99 0.367 . . . . 72.43 111.99 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 50.5 m -62.82 -41.22 99.22 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.808 0.337 . . . . 63.3 111.788 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.07 -35.21 76.36 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.774 0.287 . . . . 61.35 111.774 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.563 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 66.0 mtt -53.84 -53.93 45.61 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.477 -0.329 . . . . 64.23 110.986 177.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -52.98 -46.17 68.17 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.073 -0.512 . . . . 72.23 111.453 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -58.48 -35.34 72.05 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.831 -0.622 . . . . 72.34 111.168 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.599 HD13 HD11 ' B' ' 10' ' ' ILE . 70.1 mt -80.64 -29.1 36.76 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.067 0.46 . . . . 70.44 111.639 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' B' ' 63' ' ' MET . 47.3 mtp180 -73.47 -6.63 47.64 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.442 -0.344 . . . . 74.4 111.586 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.33 -15.07 62.83 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.972 0.36 . . . . 61.44 111.972 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.0 113.38 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 120.784 0.326 . . . . 73.33 111.501 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -57.96 -28.7 64.59 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.34 0.496 . . . . 63.55 112.34 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.559 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -64.48 -20.23 65.45 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 120.976 -0.63 . . . . 72.43 113.344 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.9 t -93.49 141.71 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 O-C-N 122.47 -0.429 . . . . 73.21 110.945 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.84 -23.71 6.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.469 -0.332 . . . . 75.3 111.836 176.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.596 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.0 OUTLIER -123.52 127.26 48.1 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.234 0.54 . . . . 73.11 111.578 176.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.457 HG21 ' HG2' ' B' ' 67' ' ' ARG . 51.9 t -132.69 104.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.164 -0.68 . . . . 63.44 109.164 171.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -128.77 154.54 46.28 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.141 0.496 . . . . 64.14 112.163 -170.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -83.99 133.5 34.68 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.092 -0.504 . . . . 72.24 112.137 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' B' ' 9' ' ' ARG . 87.5 mt -89.7 94.43 9.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.221 0.534 . . . . 74.33 110.004 170.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 60.1 p -79.4 -59.97 2.55 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.96 -0.564 . . . . 40.22 111.358 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -74.63 105.13 5.58 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.938 -0.574 . . . . 65.22 111.187 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 72.4 mt -106.85 159.72 16.04 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.101 0.477 . . . . 63.34 111.481 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -115.71 26.27 10.14 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.063 0.394 . . . . 42.12 112.063 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -79.11 37.18 0.31 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 120.915 0.388 . . . . 73.11 111.198 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -85.69 126.05 33.65 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 112.714 0.635 . . . . 75.44 112.714 -174.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -106.16 -5.0 19.65 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.034 0.445 . . . . 72.4 110.589 170.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -123.13 151.72 41.83 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.011 -0.54 . . . . 73.43 110.765 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -157.68 151.06 23.57 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.511 -0.313 . . . . 72.22 110.898 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 23.7 p80 . . . . . 0 C--O 1.254 1.291 0 CA-C-O 119.69 -0.195 . . . . 61.32 111.364 173.852 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 120.77 0.319 . . . . 72.1 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 93.3 m -95.83 126.42 41.07 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.182 0.438 . . . . 72.1 112.182 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.531 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 5.3 m-20 -88.9 150.84 22.67 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.185 -0.461 . . . . 45.13 111.428 176.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -129.06 154.1 46.99 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.815 -0.439 . . . . 64.32 109.815 172.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.4 tp -77.73 103.98 7.99 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.199 0.523 . . . . 71.32 111.299 -176.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.489 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -97.86 134.45 40.99 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.016 -0.538 . . . . 61.12 111.671 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.83 141.35 15.88 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.046 -0.597 . . . . 72.55 113.387 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 40.6 mt -128.88 136.85 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 122.622 0.369 . . . . 63.32 110.367 177.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.464 ' NH2' HD21 ' A' ' 48' ' ' ASN . 18.5 ttm180 -118.15 125.0 49.36 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.1 0.476 . . . . 72.21 111.489 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.662 HD11 HD13 ' A' ' 66' ' ' LEU . 25.9 mt -112.87 116.83 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 115.668 -0.696 . . . . 72.52 110.674 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.557 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 95.2 t -115.79 113.59 43.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.547 0.689 . . . . 63.1 110.948 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.19 175.25 21.27 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.468 -0.787 . . . . 75.44 112.639 -178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.64 133.37 40.87 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.409 0.623 . . . . 70.23 112.124 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -70.92 86.45 0.71 Allowed 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.294 0.568 . . . . 75.2 111.953 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' HB2' ' CG ' ' A' ' 18' ' ' MET . 43.0 mttp -102.09 158.54 16.09 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.508 0.67 . . . . 63.44 112.511 168.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -49.85 -31.32 11.67 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.657 -1.156 . . . . 71.43 113.599 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.67 0.2 17.94 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 120.601 -0.809 . . . . 35.13 114.399 -178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.449 ' CG ' ' HB2' ' A' ' 15' ' ' LYS . 53.5 mmm -74.29 -51.8 14.17 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 117.516 0.658 . . . . 63.01 112.53 -176.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -60.47 -31.26 70.28 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.266 0.555 . . . . 52.5 111.323 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.511 ' ND2' HG13 ' B' ' 33' ' ' ILE . 12.5 m120 -75.16 -48.3 24.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.652 -0.704 . . . . 74.34 110.948 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.1 pt20 -66.34 -37.42 85.29 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.174 -0.466 . . . . 71.45 111.474 -177.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 22' ' ' ILE . 12.1 mm -62.68 -54.89 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 112.234 0.457 . . . . 61.22 112.234 -177.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 m -72.97 -26.59 61.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.275 0.56 . . . . 71.2 110.193 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.532 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.03 -51.71 57.67 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 121.029 -0.605 . . . . 54.33 112.369 171.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 21' ' ' GLN . 87.4 t -59.66 -40.14 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-O 120.843 0.354 . . . . 74.33 111.174 175.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mt -54.0 -48.73 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 116.165 -0.471 . . . . 74.35 111.798 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.4 p -64.86 -22.02 66.91 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.607 0.241 . . . . 53.11 111.603 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 67.5 mttm -75.05 -5.59 44.89 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.16 0.43 . . . . 72.14 112.16 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -69.37 168.38 14.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.619 0.723 . . . . 73.25 112.338 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -83.34 -24.71 31.97 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.276 -0.875 . . . . 62.45 111.854 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 t -86.34 159.05 19.51 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.64 0.607 . . . . 72.24 112.64 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -91.06 124.2 35.11 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.924 -0.58 . . . . 62.4 111.804 -174.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.481 ' HA ' HG22 ' A' ' 51' ' ' ILE . 61.5 mt -76.43 110.67 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 116.455 -0.339 . . . . 61.24 111.747 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 21.8 mmt85 -94.14 -20.51 19.82 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 122.063 -0.398 . . . . 75.13 111.711 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.469 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 6.8 m -158.43 142.85 15.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.353 -0.385 . . . . 63.43 110.725 174.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.653 HG22 ' HB3' ' B' ' 38' ' ' LEU . 0.0 OUTLIER -147.5 133.3 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.171 -0.307 . . . . 73.24 110.171 172.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.466 HG12 ' OD1' ' A' ' 39' ' ' ASN . 96.6 t -134.23 103.44 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-O 121.032 0.444 . . . . 72.41 111.726 178.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.538 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.3 tt -109.3 113.73 26.81 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 109.912 -0.403 . . . . 73.5 109.912 174.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.466 ' OD1' HG12 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -130.92 112.98 13.46 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.359 0.599 . . . . 74.44 111.637 178.788 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -85.64 136.08 33.52 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.645 0.736 . . . . 43.32 112.02 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.707 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -119.64 -145.98 0.38 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.244 -0.889 . . . . 70.42 109.874 177.639 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.496 ' O ' HG13 ' A' ' 44' ' ' ILE . 3.9 m-20 -51.7 86.62 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 112.75 0.648 . . . . 53.22 112.75 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.7 5.64 32.04 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 114.775 0.67 . . . . 62.21 114.775 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 42' ' ' ASP . 3.4 mt -132.52 162.16 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 117.574 0.687 . . . . 72.22 110.804 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.62 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 35.3 p90 -133.07 150.75 52.07 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.713 0.292 . . . . 73.43 111.172 174.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.548 HG22 ' HE3' ' A' ' 41' ' ' LYS . 1.8 t -127.34 111.71 14.2 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.36 -0.382 . . . . 64.04 111.052 174.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.446 ' SG ' HD11 ' A' ' 36' ' ' ILE . 46.7 t -104.56 116.26 31.77 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.294 -0.412 . . . . 64.12 111.546 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.512 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 75.1 m-20 -97.57 114.07 25.91 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.36 0.264 . . . . 63.22 111.039 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.401 HD23 HD12 ' A' ' 8' ' ' ILE . 39.8 tp -98.12 123.25 42.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.842 0.353 . . . . 64.11 111.191 177.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.482 ' HG3' ' NE2' ' A' ' 83' ' ' HIS . 67.2 mmm -117.46 108.22 15.26 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.104 0.478 . . . . 73.31 111.264 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.481 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -139.99 161.4 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 115.935 -0.575 . . . . 72.22 111.592 -176.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.531 ' HB3' ' HB3' ' A' ' 3' ' ' ASP . 47.7 m-85 -92.93 139.47 30.5 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.974 0.416 . . . . 61.04 111.487 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.7 m -132.75 141.8 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.01 0.433 . . . . 73.42 111.47 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.46 ' HG3' ' OD2' ' A' ' 3' ' ' ASP . 17.9 mtmm -79.19 -15.5 57.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.331 -0.395 . . . . 74.01 112.06 177.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -160.05 153.22 21.89 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.818 0.342 . . . . 70.42 111.553 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -63.93 -27.89 69.45 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.366 -0.379 . . . . 73.21 112.006 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.07 -41.53 78.93 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.213 0.53 . . . . 61.44 110.655 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -57.43 -51.91 67.52 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.918 -0.583 . . . . 71.42 111.143 174.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.489 HD13 ' HB1' ' A' ' 6' ' ' ALA . 58.4 tp -59.12 -48.11 82.8 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.13 -0.486 . . . . 72.05 112.037 -177.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.4 p -63.72 -35.39 80.39 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.825 0.345 . . . . 74.51 111.448 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.2 m -64.88 -45.45 85.92 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.745 0.307 . . . . 74.43 110.948 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.5 mt -58.29 -49.14 78.2 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.602 -0.272 . . . . 71.21 111.416 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 57.6 mtm -61.49 -36.24 79.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 120.985 -0.286 . . . . 72.41 111.424 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.5 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 24.5 t70 -63.8 -45.77 88.16 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.907 -0.317 . . . . 71.41 110.5 174.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -51.38 -39.05 56.36 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.363 0.601 . . . . 64.32 110.955 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.662 HD13 HD11 ' A' ' 10' ' ' ILE . 38.0 mt -76.71 -28.93 56.02 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.808 -0.633 . . . . 70.04 111.403 177.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 67' ' ' ARG . 3.8 mmp_? -67.79 -18.92 65.01 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.382 -0.372 . . . . 72.02 111.767 176.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.5 ' HE3' ' O ' ' A' ' 64' ' ' ASP . 7.7 mmpt? -71.17 -15.87 62.5 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 111.875 0.324 . . . . 72.35 111.875 -176.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.437 HG12 ' H ' ' A' ' 71' ' ' GLY . 60.7 t -78.04 122.06 32.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 121.034 0.445 . . . . 74.24 111.932 -175.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -61.43 -28.23 69.11 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.717 -0.674 . . . . 51.21 112.441 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.437 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -81.6 -11.32 83.2 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 121.248 -0.501 . . . . 73.54 114.095 -177.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.5 t -97.36 147.0 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 117.471 0.636 . . . . 73.02 111.327 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.35 -34.6 4.26 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 111.949 0.352 . . . . 74.23 111.949 175.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.557 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.4 p -116.39 130.9 57.01 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.141 0.496 . . . . 73.35 111.792 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.1 t -138.13 104.3 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 109.383 -0.599 . . . . 73.4 109.383 171.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -124.12 153.39 41.54 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.29 -0.414 . . . . 74.43 111.812 -171.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.458 ' HD2' HD21 ' A' ' 59' ' ' LEU . 30.4 ttt85 -82.77 126.99 33.02 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.952 0.406 . . . . 71.41 110.858 172.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.9 mt -76.85 96.59 4.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.994 0.426 . . . . 73.42 109.926 172.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.9 p -73.61 -57.31 4.08 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.08 0.467 . . . . 55.32 111.372 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -84.99 107.39 17.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.41 -0.359 . . . . 61.25 110.043 175.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.9 mt -84.87 151.68 24.12 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.627 0.727 . . . . 74.4 112.77 -173.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -90.56 15.88 10.05 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.267 -0.878 . . . . 63.14 110.837 175.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.482 ' NE2' ' HG3' ' A' ' 50' ' ' MET . 18.3 m-70 -88.92 73.5 8.35 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.535 0.683 . . . . 74.45 111.896 -174.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -62.76 101.71 0.28 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.399 -0.818 . . . . 74.53 111.827 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -55.29 132.27 47.5 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.121 -0.49 . . . . 64.42 111.049 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -121.54 177.95 5.01 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.174 0.511 . . . . 73.33 112.176 -171.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -133.29 -177.95 4.76 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.656 -0.702 . . . . 75.54 110.691 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.767 -0.635 . . . . 71.01 111.153 177.768 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.396 0.141 . . . . 74.41 111.217 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.468 HG22 ' O ' ' B' ' 2' ' ' THR . 11.7 m 62.82 24.14 14.38 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.594 0.711 . . . . 73.21 111.551 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.492 ' HA ' ' HA ' ' B' ' 54' ' ' LYS . 4.8 p-10 -95.91 170.85 9.01 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.148 0.499 . . . . 53.23 112.058 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -152.89 153.89 33.95 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.135 -0.484 . . . . 63.42 110.767 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 tp -78.8 103.21 8.6 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.041 0.448 . . . . 74.1 111.085 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.402 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -94.1 149.01 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.027 -0.533 . . . . 54.53 111.547 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.444 ' HA3' ' HB2' ' B' ' 78' ' ' LEU . . . -122.13 145.54 16.66 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.831 -0.7 . . . . 63.35 113.306 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.495 HD12 HD23 ' B' ' 49' ' ' LEU . 49.5 mt -132.86 149.71 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 122.72 0.408 . . . . 75.03 110.46 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -130.65 124.86 32.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.944 0.402 . . . . 73.25 111.171 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.562 ' HB ' ' HB3' ' B' ' 47' ' ' CYS . 35.3 mt -116.37 117.31 55.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.042 -0.526 . . . . 65.42 110.822 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.653 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 54.3 t -116.62 114.29 45.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-O 121.698 0.761 . . . . 73.12 111.29 176.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.45 170.89 24.23 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.324 -0.853 . . . . 70.02 112.234 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -68.48 134.67 50.47 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.111 0.481 . . . . 65.32 112.099 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -78.61 81.82 4.9 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.449 0.642 . . . . 61.21 111.433 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -94.43 166.71 11.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.649 0.738 . . . . 75.52 112.649 170.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -75.58 55.89 0.86 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 114.56 -1.2 . . . . 72.35 111.123 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.26 -27.48 0.25 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.945 -0.57 . . . . 74.2 112.939 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.46 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 38.6 mmm -56.84 -51.01 70.69 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.251 0.463 . . . . 71.34 112.251 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.7 p -58.3 -33.8 69.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.966 0.413 . . . . 64.22 111.831 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -72.47 -47.76 46.21 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.173 0.511 . . . . 54.51 110.659 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.46 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 8.7 pt20 -66.34 -36.7 83.58 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.984 -0.553 . . . . 72.0 111.441 -177.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.48 HD11 HG11 ' B' ' 69' ' ' VAL . 13.8 mm -62.01 -54.45 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 112.22 0.452 . . . . 70.21 112.22 -177.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -71.79 -27.24 62.81 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.228 0.537 . . . . 65.13 110.259 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.505 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.77 -47.58 90.24 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-N 115.869 -0.605 . . . . 73.21 112.437 173.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 21' ' ' GLN . 92.6 t -65.81 -38.81 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 122.611 -0.346 . . . . 74.43 111.111 175.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.431 HG13 ' O ' ' B' ' 22' ' ' ILE . 72.8 mt -58.11 -41.91 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-O 120.858 0.361 . . . . 71.24 111.717 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 84.0 p -65.03 -21.58 66.86 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 122.13 -0.356 . . . . 62.23 111.4 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 29.2 mtpp -80.58 -0.91 39.87 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.038 0.384 . . . . 72.54 112.038 178.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -70.22 163.71 25.85 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.515 0.674 . . . . 74.14 112.078 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -19.05 50.66 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.734 -0.666 . . . . 74.11 111.328 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.8 t -97.4 157.08 16.17 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.887 0.699 . . . . 63.44 112.887 -170.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -84.55 126.26 33.15 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.734 -0.666 . . . . 75.22 111.287 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.517 ' HA ' HG22 ' B' ' 51' ' ' ILE . 73.3 mt -75.83 99.4 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 120.925 0.393 . . . . 72.33 111.595 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -76.89 -27.35 54.95 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.272 0.558 . . . . 73.01 110.696 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.585 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 6.7 m -159.55 148.49 17.94 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.034 -0.53 . . . . 65.13 110.514 176.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.538 HG22 ' HB3' ' A' ' 38' ' ' LEU . 17.5 tt -157.63 138.35 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.45 0.643 . . . . 73.23 111.628 171.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.543 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 92.8 t -130.37 146.96 33.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.563 -0.744 . . . . 70.33 110.022 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.653 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.6 tt -143.04 110.94 5.95 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.045 -0.354 . . . . 63.22 110.045 172.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' B' ' 45' ' ' PHE . 55.6 m-20 -113.53 107.91 16.45 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.474 -0.33 . . . . 65.41 111.485 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -90.74 103.69 16.36 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.274 0.559 . . . . 73.33 110.694 175.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' B' ' 43' ' ' GLY . 64.0 pttt -124.54 141.83 51.8 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.993 -0.549 . . . . 71.43 110.507 -178.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' B' ' 41' ' ' LYS . 18.6 t70 71.05 -32.8 0.25 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.573 0.583 . . . . 72.53 112.573 178.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' B' ' 41' ' ' LYS . . . 140.84 0.81 1.68 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.711 -0.556 . . . . 45.12 111.711 -171.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.06 153.13 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 122.77 0.428 . . . . 73.24 110.158 175.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.3 p90 -118.48 141.11 48.88 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.897 0.38 . . . . 73.12 111.367 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -113.49 99.89 8.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.992 0.425 . . . . 64.34 110.875 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.562 ' HB3' ' HB ' ' B' ' 10' ' ' ILE . 43.4 t -87.29 108.79 19.11 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.131 0.491 . . . . 72.53 111.803 178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.543 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 15.2 m120 -93.15 105.34 17.44 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.217 -0.447 . . . . 73.3 111.3 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.495 HD23 HD12 ' B' ' 8' ' ' ILE . 63.7 tp -98.29 139.69 33.7 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.864 0.364 . . . . 74.14 111.37 -178.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.585 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 71.4 mmm -131.61 112.84 12.95 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.852 0.358 . . . . 75.15 110.857 176.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.517 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -139.43 159.07 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.982 0.42 . . . . 63.23 111.822 -176.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -93.23 132.71 37.15 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.022 0.439 . . . . 74.11 112.161 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 2.8 m -135.81 159.16 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 116.311 -0.404 . . . . 73.44 110.499 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.492 ' HA ' ' HA ' ' B' ' 3' ' ' ASP . 38.0 mtmm -97.64 -18.87 18.65 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.931 0.396 . . . . 74.23 111.983 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -136.95 142.27 42.64 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.946 0.403 . . . . 73.34 111.45 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 71.7 p -61.04 -29.89 69.99 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 120.862 0.363 . . . . 73.32 111.585 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.97 -38.67 91.72 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.579 0.704 . . . . 54.52 110.473 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -58.02 -40.85 81.82 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.447 -0.797 . . . . 61.42 110.959 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.402 HD13 ' HB1' ' B' ' 6' ' ' ALA . 57.3 tp -65.11 -47.62 76.51 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.039 -0.528 . . . . 73.42 111.587 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 32.3 p -64.62 -32.48 74.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.916 0.389 . . . . 65.21 111.235 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 56.1 m -58.43 -41.38 84.93 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.972 0.415 . . . . 73.55 111.326 177.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.11 -38.12 89.91 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.433 -0.349 . . . . 74.1 110.971 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.443 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 59.4 mtt -55.97 -53.68 53.91 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.53 -0.305 . . . . 74.25 110.678 176.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -53.61 -42.2 67.45 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.266 -0.424 . . . . 71.13 111.195 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -58.94 -45.24 90.91 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.209 0.528 . . . . 71.22 111.337 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.434 HD13 HD11 ' B' ' 10' ' ' ILE . 51.0 mt -72.71 -26.73 61.7 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.098 -0.501 . . . . 74.43 111.575 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' B' ' 63' ' ' MET . 92.7 mtt180 -74.28 -8.35 55.92 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.672 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -77.71 -15.15 59.35 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.785 0.326 . . . . 73.12 111.672 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.48 HG11 HD11 ' B' ' 22' ' ' ILE . 45.1 t -76.03 118.89 23.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.379 0.609 . . . . 64.01 111.47 -177.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 pm0 -51.28 -33.13 27.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.971 -1.013 . . . . 75.44 113.359 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.415 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -93.72 -1.27 65.92 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 120.92 -0.657 . . . . 64.4 114.596 -174.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 83.9 t -104.88 129.9 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-N 117.811 0.806 . . . . 71.24 111.83 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -111.04 -17.37 13.28 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.495 0.554 . . . . 74.55 112.495 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.653 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.1 p -129.06 127.93 42.54 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.168 0.509 . . . . 70.13 111.893 176.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.0 t -135.95 104.75 4.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 116.051 -0.522 . . . . 63.34 109.841 172.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -123.73 170.99 9.96 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.283 -0.417 . . . . 50.13 111.875 -171.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -95.79 142.5 28.0 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.163 0.506 . . . . 70.12 111.259 172.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.444 ' HB2' ' HA3' ' B' ' 7' ' ' GLY . 97.5 mt -87.68 109.59 19.8 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.13 0.49 . . . . 71.22 110.285 173.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 79.6 p -89.51 -43.25 10.95 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.594 0.59 . . . . 75.31 112.594 -173.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -95.85 100.1 11.84 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 120.961 0.41 . . . . 60.54 110.886 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.408 ' HB3' ' HD2' ' B' ' 83' ' ' HIS . 43.9 mt -94.45 138.31 32.53 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.371 0.605 . . . . 72.35 112.582 -174.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.22 15.23 15.92 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.386 0.612 . . . . 71.11 111.485 177.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.408 ' HD2' ' HB3' ' B' ' 81' ' ' LEU . 29.4 m-70 -79.03 -0.27 30.63 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.149 -0.478 . . . . 63.01 112.099 -175.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -63.3 -65.92 0.62 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.049 0.452 . . . . 71.45 111.292 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -82.14 66.93 7.94 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.289 0.566 . . . . 61.23 111.197 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -69.57 79.58 0.41 Allowed 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.328 0.585 . . . . 71.22 111.003 177.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -161.76 150.47 15.57 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.818 -0.628 . . . . 74.13 111.3 -174.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 60.2 m80 . . . . . 0 C--O 1.255 1.363 0 CA-C-O 118.729 -0.653 . . . . 44.41 111.431 175.552 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 mmt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.171 0.51 . . . . 74.43 111.883 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 t -89.71 -171.98 3.39 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.818 -0.628 . . . . 71.45 110.936 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.19 142.06 36.64 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.34 0.496 . . . . 74.53 112.34 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -136.75 157.41 46.83 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.821 0.343 . . . . 73.15 110.16 173.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.422 HD21 ' ND1' ' A' ' 83' ' ' HIS . 47.6 tp -83.01 107.29 15.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.255 0.55 . . . . 75.2 111.361 -177.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -100.32 156.29 17.32 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.811 -0.631 . . . . 71.11 111.709 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.09 147.43 17.71 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 121.128 -0.558 . . . . 40.51 113.594 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.412 HG23 ' HG2' ' A' ' 63' ' ' MET . 41.3 mt -135.76 151.01 28.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.097 0.559 . . . . 55.33 110.397 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.474 ' HB2' HD21 ' A' ' 78' ' ' LEU . 68.4 ttt180 -131.01 137.56 49.26 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 122.066 -0.396 . . . . 71.3 111.167 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.724 HD11 HD13 ' A' ' 66' ' ' LEU . 46.5 mt -127.9 118.6 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 116.297 -0.41 . . . . 71.15 111.722 -174.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.647 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 55.3 t -117.07 115.41 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.55 0.69 . . . . 73.55 110.8 172.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.69 168.68 25.83 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.681 -0.69 . . . . 62.03 112.792 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.55 132.09 46.35 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.392 0.615 . . . . 73.0 112.194 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.18 89.71 4.88 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.269 0.557 . . . . 75.44 111.664 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 35.6 mttp -100.83 173.5 6.47 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.797 1.036 . . . . 52.42 113.797 175.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -52.21 -13.5 0.34 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.984 -1.462 . . . . 74.14 114.499 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.46 2.37 0.93 Allowed Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.553 -0.832 . . . . 72.1 114.303 178.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.507 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 71.5 mmm -64.63 -51.42 62.73 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 117.685 0.742 . . . . 64.11 112.916 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.9 p -60.74 -32.23 71.52 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 122.024 -0.422 . . . . 75.45 111.772 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -74.83 -45.75 41.22 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.987 0.422 . . . . 75.33 110.837 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.507 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.2 pt20 -70.61 -33.19 70.77 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.209 -0.45 . . . . 75.43 111.77 -177.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.528 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 11.7 mm -63.91 -54.66 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 112.111 0.412 . . . . 53.22 112.111 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 m -72.29 -26.8 62.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.269 0.557 . . . . 71.34 110.062 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.599 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.66 -52.3 53.86 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.797 -0.638 . . . . 55.22 112.373 172.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 21' ' ' GLN . 69.9 t -60.32 -38.0 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 122.366 -0.491 . . . . 60.2 111.086 176.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 22' ' ' ILE . 69.2 mt -58.39 -45.09 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 116.2 -0.455 . . . . 65.12 111.774 175.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.446 ' HA ' HD11 ' A' ' 33' ' ' ILE . 96.9 p -67.99 -22.26 65.01 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.834 0.35 . . . . 64.44 111.137 178.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 95.5 mttt -75.55 -6.72 51.66 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.581 -0.281 . . . . 74.3 111.62 177.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' HE1' ' HZ2' ' A' ' 65' ' ' LYS . 18.3 m-30 -69.03 147.51 51.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.359 0.599 . . . . 71.52 112.18 178.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -63.64 -23.02 67.21 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.525 -0.761 . . . . 63.1 112.336 177.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.8 t -86.97 169.47 12.42 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.322 0.582 . . . . 73.52 112.293 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.445 ' O ' HG22 ' A' ' 51' ' ' ILE . 16.5 m120 -94.63 122.13 36.91 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.18 -0.464 . . . . 75.34 112.241 -177.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.446 HD11 ' HA ' ' A' ' 27' ' ' SER . 57.8 mt -65.33 94.75 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-O 120.96 0.41 . . . . 63.24 110.68 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -80.24 -32.25 38.42 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.792 0.329 . . . . 72.52 110.765 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 63.7 m -155.85 135.91 12.88 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.202 -0.454 . . . . 75.01 110.732 174.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' B' ' 37' ' ' VAL . 10.8 tp -136.01 144.35 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.673 0.273 . . . . 71.14 111.21 177.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 99.3 t -135.06 139.3 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.361 -0.381 . . . . 74.53 110.275 174.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.652 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.3 tt -145.08 127.65 16.09 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.583 -0.525 . . . . 73.54 109.583 171.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.467 ' OD1' HG23 ' A' ' 46' ' ' THR . 1.9 p-10 -144.86 119.34 9.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.209 0.528 . . . . 72.45 111.688 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -104.94 120.69 42.06 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.772 -0.649 . . . . 65.43 112.097 -177.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.47 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -129.85 142.21 50.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.403 -0.362 . . . . 72.45 111.416 177.521 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.4 t70 70.78 -28.43 0.18 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 113.314 0.857 . . . . 54.01 113.314 174.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.68 -2.96 1.29 Allowed Glycine 0 CA--C 1.524 0.613 0 C-N-CA 121.417 -0.42 . . . . 61.03 112.238 -175.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mt -124.9 154.5 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.693 0.282 . . . . 72.41 110.303 176.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.545 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 45.0 p90 -122.63 154.24 38.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 73.14 111.351 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.467 HG23 ' OD1' ' A' ' 39' ' ' ASN . 1.5 t -124.75 103.44 8.09 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 121.118 0.485 . . . . 73.14 111.352 172.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 45.1 t -97.23 117.67 31.97 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.424 -0.353 . . . . 61.44 111.609 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.504 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 3.1 m-20 -103.11 115.49 30.68 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.397 0.279 . . . . 63.22 110.935 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.1 tp -101.46 136.44 41.29 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.315 0.487 . . . . 62.52 112.315 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.588 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 72.5 mmm -127.31 112.85 15.53 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.765 175.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 32' ' ' ASN . 2.3 pp -141.86 165.72 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 116.355 -0.384 . . . . 54.01 111.72 -175.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -97.0 133.79 41.21 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.966 0.412 . . . . 55.43 111.953 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 m -132.38 153.32 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.167 -0.47 . . . . 72.44 110.948 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -91.17 -3.06 57.36 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.39 0.515 . . . . 71.45 112.39 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -169.28 148.02 3.83 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 120.769 0.319 . . . . 75.43 111.739 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.2 p -60.59 -26.23 66.82 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.309 0.485 . . . . 73.32 112.309 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.95 -44.31 96.41 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.349 0.595 . . . . 73.11 110.017 177.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -57.16 -41.22 78.79 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.459 -0.791 . . . . 64.52 110.843 174.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.476 HD13 ' HB1' ' A' ' 6' ' ' ALA . 45.7 tp -61.49 -47.41 85.78 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.098 -0.501 . . . . 72.5 111.501 177.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.3 p -64.9 -31.66 73.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.852 0.358 . . . . 54.31 111.183 177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.441 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 95.0 m -62.16 -45.26 94.22 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.881 0.372 . . . . 60.1 111.242 177.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.9 -48.43 80.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.599 -0.273 . . . . 62.34 111.374 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.487 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 69.1 mtm -56.23 -39.03 71.87 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.849 0.357 . . . . 74.45 110.957 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 13.2 t70 -62.32 -46.32 89.26 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.521 -0.308 . . . . 53.44 110.722 175.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB3' ' HZ2' ' A' ' 65' ' ' LYS . 9.0 mtpm? -55.99 -38.71 70.81 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.067 0.461 . . . . 74.13 111.413 176.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.724 HD13 HD11 ' A' ' 10' ' ' ILE . 60.9 mt -73.07 -32.37 64.98 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.029 -0.532 . . . . 74.53 111.34 178.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 63' ' ' MET . 91.9 mtt180 -71.87 -8.85 56.82 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.833 0.349 . . . . 74.43 111.909 177.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.512 ' HA ' ' HE3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -79.67 -8.54 59.28 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 111.769 0.285 . . . . 75.02 111.769 177.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.9 t -78.65 131.34 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.162 0.506 . . . . 65.51 111.494 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 71' ' ' GLY . 19.0 pt20 -48.22 -48.78 34.85 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.692 0.997 . . . . 62.43 113.692 -174.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.464 ' N ' ' HG3' ' A' ' 70' ' ' GLN . . . -92.78 0.62 70.27 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 115.064 0.785 . . . . 63.32 115.064 -170.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 80.9 t -94.68 126.26 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 118.155 0.978 . . . . 72.34 111.747 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.11 -24.44 11.95 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.171 -0.468 . . . . 75.24 112.188 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.647 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.3 p -125.25 128.72 48.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.302 0.572 . . . . 62.32 112.091 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 9' ' ' ARG . 37.7 t -141.33 105.19 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.762 -0.654 . . . . 44.24 109.339 172.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -118.1 164.07 15.68 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.271 0.558 . . . . 55.11 112.392 -173.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.426 ' NH1' ' OG ' ' A' ' 79' ' ' SER . 64.0 ttp85 -86.53 146.5 26.35 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.844 -0.616 . . . . 73.44 111.093 175.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.474 HD21 ' HB2' ' A' ' 9' ' ' ARG . 98.0 mt -104.35 123.25 47.06 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.902 0.382 . . . . 72.21 110.882 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.426 ' OG ' ' NH1' ' A' ' 77' ' ' ARG . 71.2 m -101.33 -45.9 5.19 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.19 0.519 . . . . 62.43 111.33 -178.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -83.13 104.64 13.47 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.108 -0.496 . . . . 63.14 111.003 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.43 ' HB3' ' CD2' ' A' ' 83' ' ' HIS . 71.2 mt -112.48 139.43 48.06 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.997 0.427 . . . . 71.22 112.146 -175.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -83.18 6.98 17.49 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.136 0.493 . . . . 74.41 111.489 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.43 ' CD2' ' HB3' ' A' ' 81' ' ' LEU . 25.6 m-70 -76.98 -18.53 58.16 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.591 0.589 . . . . 73.21 112.591 -169.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -106.93 102.02 11.41 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.081 0.467 . . . . 52.13 111.228 173.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -105.38 133.39 50.21 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.126 -0.488 . . . . 75.23 111.103 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -91.48 135.47 33.82 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.521 0.2 . . . . 74.12 111.308 -176.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -67.82 -31.64 71.63 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.908 0.385 . . . . 74.34 111.2 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.758 -0.639 . . . . 74.42 111.217 176.486 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.693 0.283 . . . . 70.54 111.338 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 93.6 m -75.25 107.23 7.21 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.154 0.502 . . . . 73.41 111.262 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.43 ' HA ' ' HA ' ' B' ' 54' ' ' LYS . 6.6 p-10 -74.78 139.95 43.68 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.931 -0.577 . . . . 61.23 112.357 -178.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -113.12 157.68 21.32 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.101 -0.5 . . . . 74.15 110.112 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.437 HD21 ' CE1' ' B' ' 83' ' ' HIS . 58.9 tp -80.05 108.53 13.72 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.102 0.477 . . . . 74.12 111.461 -178.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.411 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -108.48 156.03 19.93 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.984 -0.553 . . . . 62.14 112.069 -177.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.98 145.72 15.86 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 121.193 -0.527 . . . . 63.3 113.424 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 54.3 mt -132.48 141.16 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 122.883 0.473 . . . . 74.31 110.922 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.529 ' HB2' HD21 ' B' ' 78' ' ' LEU . 77.2 ttt180 -119.3 127.63 53.38 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 122.002 -0.436 . . . . 71.43 111.279 175.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 46' ' ' THR . 22.0 mt -117.45 118.54 58.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 CA-C-N 116.075 -0.511 . . . . 71.42 111.089 -178.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.6 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 89.3 t -118.34 118.73 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.47 0.652 . . . . 65.3 111.208 174.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.09 164.87 25.79 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.575 -0.739 . . . . 72.42 112.346 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.406 ' HG3' ' HG2' ' B' ' 15' ' ' LYS . 24.7 pt-20 -69.28 135.81 51.0 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.145 0.498 . . . . 72.13 111.844 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.83 87.94 0.54 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.383 0.611 . . . . 64.21 111.409 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.44 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 32.5 mmmt -88.57 -178.3 5.79 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 122.123 0.963 . . . . 61.32 112.663 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -45.17 -36.7 3.95 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 113.805 -1.543 . . . . 70.35 113.306 175.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.75 24.22 0.49 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 120.829 -0.7 . . . . 74.25 114.125 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.53 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 30.4 mmm -61.2 -50.04 74.74 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.574 0.583 . . . . 71.44 112.574 -179.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 68.1 p -55.01 -33.78 62.9 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.189 0.519 . . . . 73.41 111.525 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -76.02 -48.56 20.5 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.938 -0.573 . . . . 74.03 111.03 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.53 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.8 pt20 -67.55 -37.86 83.31 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.319 -0.4 . . . . 60.04 111.561 -177.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' B' ' 22' ' ' ILE . 11.8 mm -57.79 -54.0 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 112.194 0.442 . . . . 62.12 112.194 -177.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m -73.37 -27.08 61.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.365 0.602 . . . . 61.01 110.491 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -38.98 96.65 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-N 115.947 -0.57 . . . . 64.31 112.765 172.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 21' ' ' GLN . 94.8 t -71.96 -35.44 54.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 O-C-N 122.433 -0.451 . . . . 63.53 111.029 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.436 HG21 HD13 ' B' ' 49' ' ' LEU . 66.4 mt -56.68 -41.33 74.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-O 120.947 0.403 . . . . 61.25 111.967 176.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 86.4 p -62.37 -20.86 64.85 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 120.782 0.325 . . . . 54.35 111.528 177.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -90.97 16.82 8.8 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 111.979 0.362 . . . . 72.44 111.979 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . 0.401 ' CE1' ' HE3' ' B' ' 65' ' ' LYS . 12.1 m-30 -84.0 166.9 17.38 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.059 0.933 . . . . 74.51 113.217 -178.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -84.66 13.61 5.51 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 114.574 -1.194 . . . . 63.04 111.555 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.4 t -134.15 163.71 28.99 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.84 -0.537 . . . . 63.03 111.915 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.402 ' O ' HG22 ' B' ' 51' ' ' ILE . 24.3 m120 -97.0 134.18 40.7 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.012 0.434 . . . . 71.52 111.864 -177.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.459 ' HA ' HG22 ' B' ' 51' ' ' ILE . 62.9 mt -72.43 120.68 21.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 116.155 -0.475 . . . . 65.42 111.951 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.443 ' HD3' ' HA ' ' B' ' 34' ' ' ARG . 20.6 mmt180 -98.79 -33.15 11.02 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.914 0.388 . . . . 75.24 111.174 173.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 30.3 m -153.92 132.09 11.85 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.181 -0.463 . . . . 64.24 111.033 174.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.671 HD11 ' SG ' ' B' ' 47' ' ' CYS . 10.4 tp -133.53 119.04 32.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.045 0.45 . . . . 63.3 110.188 173.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 77.9 t -131.35 104.59 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.05 0.452 . . . . 64.24 111.602 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 35' ' ' THR . 8.3 tt -111.62 131.32 55.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.406 -0.361 . . . . 70.44 110.051 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -143.37 139.11 29.86 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.981 0.42 . . . . 75.02 110.918 174.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.583 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -109.0 117.1 33.34 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.085 0.469 . . . . 75.32 111.349 178.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.482 ' HG2' ' OD2' ' B' ' 42' ' ' ASP . 0.0 OUTLIER -146.93 153.96 40.72 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.787 -0.642 . . . . 73.42 109.851 -179.522 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.482 ' OD2' ' HG2' ' B' ' 41' ' ' LYS . 22.6 m-20 63.77 21.14 12.55 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.994 0.426 . . . . 74.01 111.388 -176.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.89 -5.15 85.64 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 121.541 -0.361 . . . . 50.13 113.851 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -124.8 162.03 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 122.537 -0.39 . . . . 54.34 110.201 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.583 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 25.9 p90 -121.72 144.72 48.62 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.873 -0.517 . . . . 73.2 111.685 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 8.7 t -122.75 111.79 17.13 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.005 -0.543 . . . . 71.21 110.987 175.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.671 ' SG ' HD11 ' B' ' 36' ' ' ILE . 44.9 t -92.14 128.63 38.06 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.262 -0.426 . . . . 42.21 110.726 176.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.447 ' O ' HD12 ' B' ' 36' ' ' ILE . 46.3 t-20 -109.41 113.32 26.02 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.332 -0.395 . . . . 53.42 110.671 -177.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.436 HD13 HG21 ' B' ' 26' ' ' ILE . 59.3 tp -111.62 117.38 32.79 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.246 0.546 . . . . 74.43 112.453 -176.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.585 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 69.3 mmm -112.36 112.1 23.43 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.985 -0.552 . . . . 74.21 110.966 175.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.459 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -141.6 165.41 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 116.271 -0.422 . . . . 75.32 111.46 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -92.54 136.53 33.14 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 120.973 0.416 . . . . 62.11 111.833 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -130.86 141.35 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 116.238 -0.437 . . . . 74.01 110.851 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' B' ' 3' ' ' ASP . 0.1 OUTLIER -73.08 -11.55 60.59 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.669 0.618 . . . . 75.23 112.669 179.627 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -174.93 176.62 2.14 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.901 0.481 . . . . 74.4 110.962 173.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 81.9 p -70.06 -32.91 71.25 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.662 0.616 . . . . 63.35 112.662 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -62.72 -42.0 99.44 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.766 0.794 . . . . 55.33 110.217 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -58.14 -39.91 79.95 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.896 -1.047 . . . . 73.34 110.976 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.411 HD22 ' HB1' ' B' ' 6' ' ' ALA . 54.7 tp -66.77 -48.17 69.88 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.217 -0.447 . . . . 71.03 111.642 177.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 70.0 p -66.04 -27.72 68.31 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.423 -0.353 . . . . 62.34 111.858 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 92.2 m -58.3 -41.8 85.24 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.198 0.523 . . . . 73.22 111.051 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.51 -35.58 79.84 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.996 -0.547 . . . . 63.13 111.3 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.454 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 55.3 mtt -59.01 -51.1 71.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.884 0.373 . . . . 53.22 110.526 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.14 -45.11 79.7 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.011 -0.54 . . . . 62.15 110.991 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.401 ' HE3' ' CE1' ' B' ' 29' ' ' PHE . 28.4 mtpp -55.43 -43.67 75.58 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.022 0.439 . . . . 73.32 111.71 176.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 43.6 mt -72.06 -33.11 67.7 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.184 0.516 . . . . 55.44 111.652 178.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.458 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 98.2 mtt180 -70.15 -7.53 42.4 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 112.355 0.502 . . . . 75.51 112.355 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -71.95 -15.83 62.08 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 122.011 -0.431 . . . . 60.21 111.2 176.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.481 HG12 ' H ' ' B' ' 71' ' ' GLY . 51.2 t -82.87 119.02 31.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.942 0.401 . . . . 63.0 111.257 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -62.66 -20.2 64.58 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.915 -0.584 . . . . 74.21 112.493 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.481 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -80.46 -20.47 66.48 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 121.116 -0.564 . . . . 73.5 113.73 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 53.4 t -91.3 146.06 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 117.423 0.611 . . . . 74.34 111.53 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -123.96 -21.46 5.09 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.298 0.481 . . . . 74.25 112.298 175.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.6 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 7.8 p -127.22 123.55 36.84 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.926 -0.483 . . . . 62.51 111.841 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.458 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 37.2 t -134.28 103.68 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 109.367 -0.605 . . . . 72.54 109.367 170.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -122.01 170.96 9.31 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.234 0.54 . . . . 75.15 112.231 -169.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -94.76 144.0 25.99 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.017 -0.538 . . . . 64.32 110.671 172.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' B' ' 9' ' ' ARG . 90.0 mt -92.12 125.13 36.68 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.384 -0.371 . . . . 75.33 111.349 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 97.2 p -88.93 -53.98 4.34 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.036 0.384 . . . . 73.52 112.036 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -99.85 108.25 20.47 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.138 0.494 . . . . 63.52 111.78 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.435 ' HB3' ' HD2' ' B' ' 83' ' ' HIS . 55.2 mt -89.6 178.4 6.29 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.053 -0.521 . . . . 65.44 111.582 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.91 6.26 25.15 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.908 0.385 . . . . 71.33 111.967 173.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.437 ' CE1' HD21 ' B' ' 5' ' ' LEU . 43.1 m-70 -70.7 -12.56 61.63 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.692 0.627 . . . . 71.31 112.692 -175.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -91.95 22.13 4.48 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.043 0.449 . . . . 70.53 110.353 173.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -49.32 95.66 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.732 -0.667 . . . . 42.14 112.535 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -98.8 -154.33 0.46 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.62 -0.718 . . . . 73.5 109.215 170.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -112.69 90.72 3.42 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 120.949 0.404 . . . . 64.54 110.481 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.591 -0.718 . . . . 73.43 111.809 -178.415 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mmm . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 120.628 0.251 . . . . 75.42 111.507 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.8 t -79.44 152.56 30.22 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 120.946 0.403 . . . . 42.21 111.497 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -77.24 143.74 38.73 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.032 0.444 . . . . 71.42 111.531 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 6' ' ' ALA . 55.2 p90 -119.63 155.37 32.45 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.882 0.372 . . . . 75.12 110.418 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.4 HD21 ' ND1' ' A' ' 83' ' ' HIS . 28.2 tp -81.68 102.43 10.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.36 0.6 . . . . 54.12 110.931 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.442 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -95.37 155.75 16.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.589 -0.732 . . . . 74.13 111.575 -178.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.33 143.1 14.13 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.172 -0.467 . . . . 63.25 112.811 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.2 mt -131.34 138.08 54.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 122.727 -0.279 . . . . 73.32 110.601 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.555 ' HB2' HD21 ' A' ' 78' ' ' LEU . 54.7 ttp180 -111.75 118.37 35.43 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.183 -0.302 . . . . 74.34 110.183 174.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.524 ' O ' ' HA ' ' A' ' 46' ' ' THR . 31.6 mt -105.91 116.6 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.625 -0.261 . . . . 73.32 110.799 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.574 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 54.4 t -116.31 113.55 43.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 121.669 0.747 . . . . 71.23 111.504 178.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.26 167.62 26.03 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.388 -0.824 . . . . 53.24 112.645 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -65.16 134.05 52.88 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.389 0.614 . . . . 73.21 112.403 -177.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.505 ' CG ' HH12 ' B' ' 34' ' ' ARG . 12.6 t70 -74.08 111.77 9.57 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.811 -0.631 . . . . 74.03 111.613 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -137.77 168.61 19.33 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.489 0.922 . . . . 64.45 113.489 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -72.07 57.9 0.35 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.181 -1.372 . . . . 73.3 112.03 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.38 -33.06 0.32 Allowed Glycine 0 CA--C 1.527 0.841 0 CA-C-N 115.451 -0.795 . . . . 72.23 113.268 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.45 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 58.4 mmm -57.96 -51.62 68.89 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.951 0.723 . . . . 71.22 112.951 -178.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.3 p -59.39 -34.15 72.07 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.186 0.517 . . . . 74.02 111.573 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.481 ' HA ' HD12 ' B' ' 33' ' ' ILE . 2.2 m-20 -76.06 -42.38 47.72 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.89 -0.596 . . . . 71.03 111.39 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.451 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.6 pt20 -71.93 -37.31 70.04 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.885 0.374 . . . . 73.43 111.293 -176.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 22' ' ' ILE . 10.1 mm -61.36 -54.33 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.237 0.458 . . . . 43.52 112.237 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.0 m -71.38 -26.97 63.02 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.412 0.625 . . . . 65.24 110.027 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.57 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -59.43 -45.12 96.02 Favored Glycine 0 CA--C 1.528 0.869 0 CA-C-N 115.753 -0.658 . . . . 51.03 112.582 172.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 21' ' ' GLN . 89.6 t -65.55 -38.39 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 122.364 -0.492 . . . . 61.11 110.933 176.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.462 HG21 HD13 ' A' ' 49' ' ' LEU . 62.5 mt -55.75 -44.63 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 116.165 -0.47 . . . . 74.11 112.084 176.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.5 p -64.2 -21.59 66.63 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.872 0.368 . . . . 72.12 111.03 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 91.2 mttt -86.7 14.32 7.24 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.32 -0.4 . . . . 55.33 111.724 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -86.17 175.42 8.52 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.713 0.768 . . . . 71.11 112.496 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.45 8.55 38.16 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.157 -0.928 . . . . 73.55 111.468 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 t -129.0 165.95 20.14 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 112.515 0.561 . . . . 63.33 112.515 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -99.58 119.93 38.85 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.169 -0.469 . . . . 71.32 112.115 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.61 119.21 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 116.071 -0.513 . . . . 74.0 111.425 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' A' ' 34' ' ' ARG . 4.4 mmp_? -100.98 -30.66 11.51 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.462 0.649 . . . . 64.54 110.441 175.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 18.4 m -156.95 145.65 19.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.443 -0.798 . . . . 34.55 109.791 176.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' B' ' 37' ' ' VAL . 14.3 tt -153.63 144.28 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.099 0.476 . . . . 72.24 111.738 173.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.493 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 80.5 t -136.27 134.64 49.97 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-N 115.625 -0.716 . . . . 72.5 110.253 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.588 ' O ' ' HA ' ' B' ' 35' ' ' THR . 8.4 tt -136.46 111.43 8.89 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.928 -0.397 . . . . 75.2 109.928 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.45 ' OD1' HG23 ' A' ' 46' ' ' THR . 6.2 p-10 -130.62 126.05 35.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.187 0.517 . . . . 63.51 111.268 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -103.67 116.6 32.65 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.175 -0.466 . . . . 45.42 112.232 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.523 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -135.92 148.97 48.76 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.001 -0.545 . . . . 73.03 110.623 178.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.0 t70 64.81 14.65 9.33 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.361 0.6 . . . . 54.15 111.761 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.92 9.87 70.34 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 121.209 -0.519 . . . . 64.3 113.211 -177.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.5 mt -130.06 158.3 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 122.698 0.399 . . . . 75.03 109.945 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.474 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 45.5 p90 -128.46 145.57 51.06 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 122.054 -0.404 . . . . 61.41 111.299 178.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.524 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -116.97 106.18 13.13 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.214 0.53 . . . . 61.52 111.475 174.797 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.473 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 53.6 t -88.11 100.12 12.71 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.218 0.532 . . . . 55.11 111.225 176.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.493 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 16.0 m120 -84.1 105.13 14.73 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.883 -0.598 . . . . 72.14 111.322 177.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.462 HD13 HG21 ' A' ' 26' ' ' ILE . 52.9 tp -98.71 132.55 44.0 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.999 0.37 . . . . 70.52 111.999 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.538 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 69.9 mmm -122.57 111.79 17.21 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.389 -0.369 . . . . 64.04 111.172 175.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 pp -144.39 161.91 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 116.319 -0.4 . . . . 72.41 111.952 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -91.07 131.38 36.68 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.023 0.44 . . . . 75.32 111.971 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.98 147.56 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-O 120.921 0.391 . . . . 72.24 110.693 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -74.94 -19.99 59.88 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.093 0.775 . . . . 65.34 113.093 -176.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -163.84 165.63 22.7 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.96 0.409 . . . . 73.44 111.599 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.6 p -63.57 -26.9 68.9 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.058 0.392 . . . . 51.45 112.058 -176.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.18 -41.93 80.7 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.352 0.596 . . . . 71.03 109.666 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -57.98 -34.6 70.14 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.12 -0.946 . . . . 63.31 110.989 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.0 tp -71.38 -48.0 52.71 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.933 -0.576 . . . . 74.34 111.427 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.3 p -61.71 -29.49 70.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.999 0.428 . . . . 74.21 111.193 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 50.6 m -61.23 -47.9 83.94 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.151 0.5 . . . . 75.42 110.751 175.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.93 -36.73 75.25 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.068 -0.515 . . . . 75.32 111.499 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.4 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 62.6 mtt -55.13 -53.62 53.62 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.064 0.459 . . . . 64.14 110.922 175.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.66 -41.97 82.56 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.902 -0.59 . . . . 72.55 110.907 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 61' ' ' THR . 7.5 mtpm? -59.19 -40.02 84.39 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.138 -0.483 . . . . 75.54 111.444 177.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.9 mt -74.65 -29.44 61.26 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.262 0.554 . . . . 74.03 111.157 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.405 ' HE ' ' HB ' ' A' ' 75' ' ' VAL . 96.8 mtt180 -72.55 -6.52 44.55 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.011 -0.54 . . . . 74.13 111.997 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -71.97 -8.81 56.63 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.775 0.321 . . . . 74.24 111.152 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.5 t -93.68 111.19 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-O 120.987 0.422 . . . . 74.01 110.869 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -57.69 -28.93 64.25 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.69 0.626 . . . . 70.41 112.69 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.68 -16.09 73.91 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 121.183 -0.532 . . . . 53.43 113.87 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.3 t -93.1 134.27 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 117.405 0.603 . . . . 55.31 111.478 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.9 -13.8 11.94 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.366 0.506 . . . . 72.25 112.366 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.574 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -134.26 125.98 28.85 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.07 0.462 . . . . 71.21 111.424 174.592 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.405 ' HB ' ' HE ' ' A' ' 67' ' ' ARG . 35.0 t -130.89 104.02 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 108.925 -0.768 . . . . 64.14 108.925 170.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -124.93 156.7 37.58 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.019 -0.537 . . . . 75.32 112.298 -166.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -86.48 139.63 30.71 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.202 0.525 . . . . 64.31 111.445 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 9' ' ' ARG . 94.9 mt -89.57 108.23 19.54 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.891 -0.595 . . . . 63.4 110.233 173.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.3 p -75.51 -63.48 1.28 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.312 0.486 . . . . 73.24 112.312 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.68 119.25 25.03 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.984 0.421 . . . . 70.02 111.727 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt -115.86 -167.67 1.3 Allowed 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.279 -0.419 . . . . 73.11 111.185 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -147.62 21.5 1.16 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.926 0.393 . . . . 70.41 111.77 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.4 ' ND1' HD21 ' A' ' 5' ' ' LEU . 19.0 m-70 -81.75 156.94 24.71 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.999 -0.438 . . . . 74.42 111.711 -173.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 61.48 24.19 14.33 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.347 -0.388 . . . . 74.41 111.419 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -74.49 29.83 0.08 Allowed 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.081 0.771 . . . . 74.31 113.081 -174.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -111.6 101.4 9.8 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.263 0.554 . . . . 74.2 110.897 177.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -66.31 128.16 35.07 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.183 -0.462 . . . . 75.11 111.023 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 44.0 m80 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.711 -0.662 . . . . 74.42 111.923 -179.294 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 120.769 0.319 . . . . 65.11 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 20.3 m -69.87 -8.94 52.74 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.517 0.932 . . . . 73.01 113.517 -172.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.575 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 11.7 t70 -56.9 140.79 47.29 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 122.056 -0.403 . . . . 63.41 111.543 -177.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' B' ' 6' ' ' ALA . 52.6 p90 -150.31 161.03 43.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.033 0.444 . . . . 73.31 111.412 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 48.5 tp -81.06 103.46 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.219 0.533 . . . . 74.41 110.79 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.419 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . . . -96.49 152.18 18.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.817 -0.629 . . . . 73.2 112.209 -177.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.53 144.8 15.34 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 116.155 -0.475 . . . . 41.32 113.163 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 51.3 mt -133.59 143.41 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 122.864 0.466 . . . . 52.1 110.471 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.511 ' HB2' HD21 ' B' ' 78' ' ' LEU . 40.1 ttt180 -118.11 131.91 56.39 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.988 -0.445 . . . . 63.41 111.172 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.506 HD11 HD13 ' B' ' 66' ' ' LEU . 37.1 mt -119.46 117.33 53.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.001 -0.545 . . . . 73.42 110.856 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.621 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 60.3 t -121.83 118.65 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.593 0.711 . . . . 73.32 111.119 176.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.0 169.65 26.13 Favored Glycine 0 CA--C 1.522 0.471 0 CA-C-N 115.213 -0.903 . . . . 63.15 112.055 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -64.42 132.57 50.43 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.139 0.495 . . . . 75.54 111.625 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -71.9 89.67 1.09 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.354 0.597 . . . . 75.03 111.221 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -105.09 164.03 12.12 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.408 0.623 . . . . 71.32 112.156 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -64.68 5.42 0.3 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.175 -0.92 . . . . 74.42 113.374 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.3 -7.65 0.47 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 120.745 -0.74 . . . . 51.32 113.839 174.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.484 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 60.9 mmm -70.75 -52.26 21.9 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.466 0.913 . . . . 73.22 113.466 -173.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 75.8 p -61.7 -30.03 70.48 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.946 -0.471 . . . . 74.12 111.63 -178.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -76.49 -47.97 21.07 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.964 0.412 . . . . 62.34 110.819 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.541 ' O ' HG23 ' B' ' 25' ' ' VAL . 9.9 pt20 -66.45 -36.08 81.88 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.347 -0.388 . . . . 71.21 111.684 -177.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.457 HG13 ' CZ ' ' B' ' 45' ' ' PHE . 12.0 mm -63.2 -53.61 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 112.398 0.518 . . . . 55.01 112.398 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 5.1 m -68.38 -27.31 66.12 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.218 0.532 . . . . 71.33 110.021 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.74 -46.34 94.4 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-N 116.051 -0.522 . . . . 74.24 112.589 171.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 21' ' ' GLN . 77.2 t -57.69 -45.65 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-O 121.252 0.548 . . . . 75.0 110.677 174.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.442 HG21 HD13 ' B' ' 49' ' ' LEU . 79.8 mt -60.08 -47.32 92.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-N 115.728 -0.669 . . . . 73.12 111.921 177.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . 0.528 ' HA ' HD11 ' B' ' 33' ' ' ILE . 94.2 p -62.83 -24.48 67.8 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.233 0.457 . . . . 72.01 112.233 -176.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.54 14.77 25.38 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.365 0.505 . . . . 73.2 112.365 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -68.34 165.99 17.52 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.458 0.647 . . . . 75.54 111.465 173.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -92.96 7.85 42.3 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.552 -0.749 . . . . 73.54 111.703 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.8 t -111.22 159.8 17.56 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.895 0.379 . . . . 74.43 111.277 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.435 ' O ' HG22 ' B' ' 51' ' ' ILE . 26.2 t-20 -86.85 120.77 28.49 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.993 0.425 . . . . 71.34 111.847 -176.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' B' ' 27' ' ' SER . 67.7 mt -67.67 111.16 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 121.174 0.512 . . . . 54.1 111.537 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.505 HH12 ' CG ' ' A' ' 14' ' ' ASP . 8.1 tpp180 -92.25 -34.92 14.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.893 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 67.5 m -158.67 132.66 7.75 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.308 -0.406 . . . . 74.11 110.852 174.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.51 HD11 ' SG ' ' B' ' 47' ' ' CYS . 11.2 tp -130.82 136.97 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 120.926 0.393 . . . . 71.44 110.779 174.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 58.5 t -133.18 140.42 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 116.283 -0.417 . . . . 74.25 110.381 176.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 35' ' ' THR . 9.9 tt -144.85 134.43 23.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 122.156 -0.34 . . . . 53.33 110.459 174.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -148.85 135.25 19.43 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.862 0.363 . . . . 63.24 111.242 172.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.52 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -99.68 123.88 44.37 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.3 -0.409 . . . . 45.5 111.427 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -141.58 144.59 34.32 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.065 -0.516 . . . . 65.42 111.138 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 63.24 13.85 7.28 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 112.499 0.555 . . . . 73.0 112.499 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.44 -2.62 65.3 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 121.061 -0.59 . . . . 73.31 112.644 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.433 HG22 ' H ' ' B' ' 45' ' ' PHE . 2.0 mt -116.97 178.63 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 123.437 0.695 . . . . 55.54 109.225 178.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.52 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 32.4 p90 -137.44 161.37 36.52 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.854 -0.529 . . . . 74.35 111.244 170.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 t -134.85 115.01 13.16 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.023 0.44 . . . . 75.44 111.088 174.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' B' ' 36' ' ' ILE . 46.3 t -108.11 120.14 41.48 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.286 -0.415 . . . . 75.25 111.29 178.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -103.0 111.63 24.06 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.773 0.321 . . . . 65.03 110.974 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.442 HD13 HG21 ' B' ' 26' ' ' ILE . 44.9 tp -99.06 132.53 44.3 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.053 0.454 . . . . 71.11 111.987 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.555 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 60.4 mmm -124.13 113.23 18.08 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.237 -0.438 . . . . 55.55 110.681 175.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.517 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -144.57 158.74 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 121.06 0.457 . . . . 72.45 111.755 -177.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -91.54 140.28 29.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.913 0.387 . . . . 73.02 111.57 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 8.9 m -139.66 140.89 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.489 -0.323 . . . . 74.1 110.258 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.471 ' NZ ' ' HB2' ' B' ' 54' ' ' LYS . 4.7 ttmp? -71.02 -36.25 72.34 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 111.994 0.368 . . . . 75.15 111.994 178.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.475 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 40.0 m-80 -135.44 151.31 50.29 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.527 -0.306 . . . . 64.03 111.273 -177.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 64.9 p -61.08 -30.18 70.19 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.777 0.323 . . . . 73.34 111.353 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -62.01 -40.49 95.86 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.616 0.722 . . . . 64.3 110.183 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 45.3 tptt -58.04 -40.5 81.07 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.287 -0.869 . . . . 74.31 110.843 174.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.663 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 60.4 tp -68.37 -48.13 65.58 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.13 -0.486 . . . . 72.14 111.663 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 69.5 p -62.51 -34.96 77.92 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.053 0.454 . . . . 71.34 111.269 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.462 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 72.0 m -59.53 -40.72 88.1 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.239 -0.437 . . . . 63.22 111.279 175.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.09 -41.47 96.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.702 0.287 . . . . 73.23 111.306 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.663 ' HE3' ' HG ' ' B' ' 59' ' ' LEU . 50.5 mtt -55.67 -48.33 75.24 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.191 0.52 . . . . 72.42 110.275 175.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.9 -46.26 78.43 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.628 -0.715 . . . . 71.43 111.033 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' B' ' 61' ' ' THR . 52.9 mtpt -58.24 -37.54 75.1 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.22 -0.446 . . . . 44.32 111.749 178.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.506 HD13 HD11 ' B' ' 10' ' ' ILE . 59.0 mt -76.05 -33.23 59.59 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.143 0.497 . . . . 43.13 111.785 178.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' B' ' 63' ' ' MET . 86.9 mtt180 -67.69 -8.16 32.9 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.651 0.612 . . . . 74.04 112.651 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -71.93 -13.7 61.72 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 111.808 0.299 . . . . 74.44 111.808 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.437 HG12 ' H ' ' B' ' 71' ' ' GLY . 54.0 t -86.98 117.26 30.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 CA-C-O 120.99 0.424 . . . . 72.34 111.823 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.94 -23.0 63.19 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.93 0.715 . . . . 74.33 112.93 -177.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.484 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -76.68 -16.95 80.33 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 120.957 -0.64 . . . . 74.44 113.695 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.403 HG23 ' HE1' ' B' ' 18' ' ' MET . 58.8 t -97.42 141.85 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 117.227 0.514 . . . . 63.11 111.834 -178.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.4 -6.96 6.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.578 0.584 . . . . 73.53 112.578 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.621 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.6 p -136.0 118.41 15.74 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 120.902 0.382 . . . . 71.21 111.588 175.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.0 t -135.45 105.37 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 109.717 -0.475 . . . . 74.34 109.717 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -142.09 171.89 13.44 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.131 0.491 . . . . 71.41 111.897 -173.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -85.31 147.32 26.6 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.383 0.611 . . . . 75.31 112.132 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' B' ' 9' ' ' ARG . 96.0 mt -93.19 109.81 21.32 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.857 -0.61 . . . . 72.21 110.268 173.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 83.9 p -71.82 -68.78 0.43 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.488 0.551 . . . . 72.11 112.488 -174.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -88.67 106.63 18.46 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.011 0.434 . . . . 65.21 111.486 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 51.6 mt -84.08 151.36 24.99 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.083 0.468 . . . . 64.34 111.577 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -104.31 23.6 12.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.124 0.488 . . . . 61.53 111.182 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -77.52 -19.05 56.41 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.465 -0.334 . . . . 74.41 111.521 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -71.69 119.19 15.5 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.827 0.346 . . . . 72.45 110.45 174.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -79.62 128.01 32.87 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.958 0.408 . . . . 72.34 111.78 -176.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -96.05 100.71 12.34 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.251 0.548 . . . . 51.04 111.095 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -174.97 152.25 1.47 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.979 -0.555 . . . . 64.4 110.873 -177.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.919 -0.562 . . . . 62.55 111.306 178.4 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mmt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 110.48 -0.193 . . . . 70.34 110.48 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.2 m -77.32 80.79 3.82 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.129 0.49 . . . . 63.24 109.983 171.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.455 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 4.2 m-20 -79.67 116.16 19.69 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.356 -0.384 . . . . 74.31 110.083 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -121.81 161.95 21.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.382 0.61 . . . . 74.13 111.214 -175.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.1 tp -82.03 102.61 11.1 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.737 -0.665 . . . . 70.23 110.234 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.46 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -94.17 134.73 36.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.915 -0.584 . . . . 71.54 112.007 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.13 145.48 16.6 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.19 -0.529 . . . . 74.25 112.607 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.428 HD12 HD23 ' A' ' 49' ' ' LEU . 27.9 mt -130.51 136.99 57.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 122.529 -0.395 . . . . 73.03 110.539 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' HB2' HD21 ' A' ' 78' ' ' LEU . 66.4 ttt180 -113.86 117.98 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 72.23 110.93 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.7 HD11 HD13 ' A' ' 66' ' ' LEU . 33.5 mt -109.65 117.03 53.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.472 . . . . 62.52 110.618 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.632 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 49.3 t -117.5 105.87 18.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-O 121.717 0.77 . . . . 74.12 111.011 174.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.08 162.37 21.87 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 115.1 -0.955 . . . . 74.22 112.175 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -76.97 126.78 31.54 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.393 0.616 . . . . 72.14 112.062 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -69.32 105.43 2.55 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.905 -0.589 . . . . 61.32 111.561 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -165.8 137.51 3.91 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 112.228 0.455 . . . . 73.44 112.228 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 59.69 14.69 4.2 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.973 1.101 . . . . 54.34 113.973 171.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.641 ' HA2' HD22 ' B' ' 32' ' ' ASN . . . 100.32 21.79 12.65 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.453 -0.88 . . . . 34.24 113.828 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.48 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 36.8 mmm -53.9 -48.76 69.81 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.901 0.382 . . . . 43.42 112.029 176.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.1 p -54.0 -41.78 68.32 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.119 0.485 . . . . 54.42 111.829 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.445 ' OD1' ' HA ' ' B' ' 27' ' ' SER . 56.5 t30 -76.56 -42.35 43.18 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.029 -0.532 . . . . 73.12 110.963 -175.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.2 pt20 -66.79 -33.86 76.55 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.885 0.374 . . . . 74.43 111.242 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 22' ' ' ILE . 7.1 mm -61.59 -53.01 54.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 112.183 0.438 . . . . 51.31 112.183 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 m -70.01 -27.56 64.79 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.328 0.585 . . . . 73.1 110.107 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.12 -33.78 81.11 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 115.879 -0.6 . . . . 73.4 112.546 170.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 21' ' ' GLN . 92.0 t -74.56 -35.53 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 CA-C-O 121.012 0.435 . . . . 73.42 110.955 174.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.421 HG22 HD11 ' A' ' 33' ' ' ILE . 70.0 mt -61.41 -36.56 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 CA-C-O 120.996 0.427 . . . . 73.31 111.466 176.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.2 p -63.77 -20.6 65.89 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 122.123 -0.361 . . . . 72.41 111.651 176.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.532 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 11.5 mmpt? -71.65 -8.33 53.45 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 111.807 0.299 . . . . 54.34 111.807 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -74.83 159.97 31.26 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.737 1.014 . . . . 72.34 113.737 -172.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -85.8 -10.43 55.48 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.739 -1.119 . . . . 64.35 111.197 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 t -100.97 173.47 6.47 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.937 0.399 . . . . 75.44 111.781 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -106.1 121.48 44.24 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.789 0.328 . . . . 61.24 111.761 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 26' ' ' ILE . 59.8 mt -68.56 105.28 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 116.32 -0.4 . . . . 65.22 111.39 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.96 -21.03 25.1 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.844 -0.535 . . . . 64.32 110.968 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 90.5 m -158.07 131.91 7.9 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.009 -0.542 . . . . 72.34 110.839 175.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.679 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.8 tp -135.02 133.83 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 120.945 0.402 . . . . 62.24 110.303 173.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 48' ' ' ASN . 95.7 t -127.82 136.43 60.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 116.081 -0.509 . . . . 72.3 110.261 176.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.633 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.2 tt -143.94 122.51 12.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.845 0.355 . . . . 65.14 110.092 175.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 39' ' ' ASN . 4.1 p-10 -144.7 124.99 13.76 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.93 -0.577 . . . . 73.51 110.931 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.42 113.25 25.85 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.15 0.5 . . . . 74.21 112.164 -177.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.553 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -138.49 157.01 47.01 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 115.791 -0.64 . . . . 74.32 109.459 175.312 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.427 ' OD2' ' HG2' ' A' ' 41' ' ' LYS . 21.8 m-20 65.31 14.78 9.65 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.097 0.475 . . . . 72.32 110.856 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.98 9.96 86.56 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 121.383 -0.437 . . . . 73.11 112.54 -173.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.3 mt -128.63 154.75 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 122.921 0.488 . . . . 72.3 110.447 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 49.5 p90 -119.61 144.67 47.0 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.784 -0.573 . . . . 73.01 111.352 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 t -116.08 99.62 7.37 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.038 0.447 . . . . 74.01 111.095 174.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.679 ' SG ' HD11 ' A' ' 36' ' ' ILE . 42.4 t -87.02 111.19 20.63 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.008 0.432 . . . . 62.4 111.285 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.524 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 14.5 m120 -97.8 106.97 19.36 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.094 -0.503 . . . . 72.35 111.112 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 8' ' ' ILE . 62.3 tp -98.91 133.26 43.45 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.885 0.374 . . . . 75.04 111.776 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.554 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 66.6 mmm -123.0 112.07 17.36 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.903 0.383 . . . . 73.31 111.075 175.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.81 158.91 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 116.199 -0.455 . . . . 44.55 111.542 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -90.21 139.24 30.83 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.991 0.424 . . . . 63.52 111.505 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 30.8 m -131.82 147.27 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-O 120.981 0.42 . . . . 65.4 111.363 -177.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.497 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.5 ptmt -85.21 -14.2 47.57 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.092 -0.504 . . . . 72.35 112.316 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.497 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.7 p30 -164.71 167.79 18.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.097 0.475 . . . . 71.45 111.655 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.4 p -67.33 -36.8 82.18 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.397 0.518 . . . . 74.31 112.397 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.03 -33.37 75.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.729 0.776 . . . . 73.32 110.296 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 49.7 tptt -59.47 -47.12 86.7 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.38 -0.827 . . . . 74.02 110.819 172.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.46 HD13 ' HB1' ' A' ' 6' ' ' ALA . 54.7 tp -64.43 -47.93 77.23 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.038 -0.528 . . . . 63.13 111.693 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.7 p -61.5 -35.44 77.7 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 111.662 0.245 . . . . 72.52 111.662 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.9 m -63.24 -44.15 96.04 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.68 0.276 . . . . 72.15 111.127 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 68.8 mt -58.02 -46.18 85.71 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.937 0.399 . . . . 74.42 111.22 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.404 ' HG2' HG23 ' A' ' 8' ' ' ILE . 71.4 mtm -61.95 -33.54 74.47 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.387 -0.369 . . . . 71.43 111.48 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -69.1 -44.34 72.65 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.048 0.451 . . . . 74.22 110.551 174.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -54.55 -40.95 69.22 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.213 0.53 . . . . 65.42 111.327 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.7 HD13 HD11 ' A' ' 10' ' ' ILE . 59.4 mt -74.21 -33.25 63.32 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.883 -0.599 . . . . 73.3 111.535 177.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 67' ' ' ARG . 44.0 ttm105 -71.91 -6.44 41.94 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.966 -0.561 . . . . 64.2 111.972 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -70.82 -16.61 62.74 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 122.096 -0.377 . . . . 71.45 111.441 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.9 t -78.49 116.99 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.12 0.486 . . . . 74.01 111.47 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -57.45 -26.75 61.67 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.921 0.711 . . . . 62.53 112.921 -176.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.02 -11.35 85.27 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.864 -0.684 . . . . 31.43 113.442 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.4 t -93.14 144.11 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 O-C-N 122.199 -0.589 . . . . 75.25 111.178 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -128.43 -8.02 5.22 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.184 -0.462 . . . . 73.01 112.031 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.632 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 1.2 p -139.11 126.38 21.43 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.061 0.458 . . . . 65.33 111.335 173.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 t -136.32 103.47 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 108.945 -0.761 . . . . 73.4 108.945 171.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -124.41 154.38 40.51 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.491 0.552 . . . . 73.14 112.491 -169.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HG3' HD21 ' A' ' 59' ' ' LEU . 52.4 ttp85 -82.14 131.76 35.24 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.773 -0.649 . . . . 75.3 111.671 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.431 HD11 HD22 ' A' ' 48' ' ' ASN . 98.5 mt -95.58 105.37 17.35 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.972 0.415 . . . . 65.51 111.269 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.5 p -89.97 -38.73 13.44 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.033 0.444 . . . . 62.22 110.823 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -76.69 100.77 5.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.083 -0.508 . . . . 71.5 111.244 177.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.4 mt -106.7 155.45 19.66 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.3 0.571 . . . . 63.53 111.951 -177.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -120.76 29.3 7.47 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.696 -0.684 . . . . 72.43 111.712 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -80.88 77.96 7.72 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.105 0.479 . . . . 75.21 112.202 -175.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -107.06 116.91 32.75 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.025 0.441 . . . . 62.15 111.123 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -125.51 -54.27 1.56 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.555 -0.293 . . . . 74.1 111.652 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 57.71 23.79 9.9 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.08 0.467 . . . . 72.33 111.247 -177.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -77.02 81.47 3.54 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.157 -0.474 . . . . 75.0 111.985 -171.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.1 m80 . . . . . 0 C--O 1.252 1.216 0 CA-C-N 116.127 -0.488 . . . . 62.12 111.047 175.02 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.726 0.298 . . . . 65.54 110.824 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 4.6 t -151.04 132.55 14.73 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.888 0.375 . . . . 62.14 112.005 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -80.27 158.34 26.19 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.265 -0.425 . . . . 72.44 111.622 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -151.06 154.55 37.22 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.042 0.449 . . . . 74.32 111.301 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.6 tp -79.07 103.14 8.81 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.968 -0.56 . . . . 74.32 110.535 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -96.27 133.22 40.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.766 -0.652 . . . . 40.52 112.136 -176.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.46 150.48 17.63 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.198 -0.525 . . . . 75.11 113.354 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 53.8 mt -135.78 128.24 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 122.563 0.345 . . . . 74.41 110.424 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.548 ' HB2' HD21 ' B' ' 78' ' ' LEU . 66.7 ttt180 -100.78 136.95 39.83 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.894 -0.504 . . . . 73.23 111.331 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.615 HD11 HD13 ' B' ' 66' ' ' LEU . 62.7 mt -126.05 117.96 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.862 -0.608 . . . . 74.03 110.973 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.647 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 43.1 t -118.02 112.96 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 121.591 0.71 . . . . 72.41 110.919 172.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.04 165.34 25.16 Favored Glycine 0 CA--C 1.522 0.478 0 CA-C-N 115.512 -0.767 . . . . 64.42 112.553 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -67.66 126.97 31.05 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.313 0.577 . . . . 71.25 111.828 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.95 94.39 0.63 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.201 0.524 . . . . 65.41 110.983 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -118.78 175.14 5.88 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.792 1.034 . . . . 74.3 113.792 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 67.31 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 113.188 -1.823 . . . . 72.22 113.361 175.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.39 -15.28 8.68 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.029 -0.605 . . . . 71.31 114.442 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.433 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 36.8 mmm -53.94 -50.67 65.92 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 117.601 0.701 . . . . 64.34 112.737 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.9 p -58.59 -36.54 74.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.257 0.551 . . . . 74.02 111.377 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -73.67 -40.76 63.45 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.904 -0.589 . . . . 75.34 110.868 -177.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.486 ' O ' HG23 ' B' ' 25' ' ' VAL . 9.9 pt20 -73.82 -35.58 64.86 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.1 -0.5 . . . . 70.11 111.395 -178.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.435 HG13 ' HZ ' ' B' ' 45' ' ' PHE . 12.4 mm -62.08 -54.29 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 112.256 0.465 . . . . 73.24 112.256 -177.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.4 m -67.64 -27.33 66.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.47 0.652 . . . . 71.31 110.006 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.552 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -62.07 -48.51 82.68 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.752 -0.658 . . . . 71.33 112.591 172.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 21' ' ' GLN . 90.7 t -61.05 -37.59 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.889 0.376 . . . . 63.12 111.113 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.489 HG21 HD13 ' B' ' 49' ' ' LEU . 73.3 mt -58.24 -41.63 81.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-O 121.079 0.466 . . . . 74.32 111.34 175.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . 0.445 ' HA ' ' OD1' ' A' ' 20' ' ' ASN . 6.2 m -59.89 -23.89 63.84 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 121.33 0.586 . . . . 65.43 111.233 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 43.1 mtpt -87.23 20.62 2.69 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.75 -0.659 . . . . 72.44 111.641 -175.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -92.64 164.76 13.28 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.411 0.624 . . . . 72.21 111.782 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.38 -23.97 54.13 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.597 -0.729 . . . . 74.14 111.345 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.1 t -91.28 178.71 5.9 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.653 -0.703 . . . . 73.15 112.457 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.641 HD22 ' HA2' ' A' ' 17' ' ' GLY . 28.5 t-20 -106.39 125.21 50.72 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.256 -0.429 . . . . 74.24 111.476 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.464 ' HA ' HG22 ' B' ' 51' ' ' ILE . 62.1 mt -66.89 103.73 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 116.341 -0.39 . . . . 63.12 111.382 177.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -82.35 -32.57 29.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.173 0.511 . . . . 72.11 110.603 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.592 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 69.7 m -153.89 132.48 12.17 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.951 -0.568 . . . . 53.13 110.987 176.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.633 HG22 ' HB3' ' A' ' 38' ' ' LEU . 10.7 tp -135.7 137.7 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 120.996 0.427 . . . . 73.14 110.822 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.485 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 84.7 t -133.35 141.57 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 116.141 -0.482 . . . . 64.15 110.611 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' A' ' 35' ' ' THR . 7.7 tt -145.4 131.87 19.74 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 122.109 -0.369 . . . . 64.51 110.194 174.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -149.61 148.9 29.88 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 120.838 0.351 . . . . 53.32 111.056 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.31 138.43 43.52 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.129 0.49 . . . . 73.04 110.434 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -126.9 -93.13 0.48 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.018 -0.537 . . . . 72.3 112.356 -170.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.55 44.68 0.99 Allowed 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 122.783 0.433 . . . . 72.35 111.501 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.64 18.58 77.34 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.58 -0.819 . . . . 62.11 111.422 -170.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 20.1 mt -135.31 147.78 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 123.642 0.777 . . . . 60.51 109.484 -179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 44.4 p90 -112.02 137.06 50.57 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.655 -0.418 . . . . 75.52 111.037 -177.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.3 t -111.3 100.24 8.89 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.368 0.604 . . . . 75.12 111.341 174.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.544 ' SG ' HD11 ' B' ' 36' ' ' ILE . 48.4 t -91.11 131.34 36.74 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.077 -0.511 . . . . 74.33 111.907 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.485 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 16.2 m120 -111.7 110.73 21.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 122.495 0.318 . . . . 75.32 110.888 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.489 HD13 HG21 ' B' ' 26' ' ' ILE . 46.5 tp -99.11 137.29 37.85 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.883 0.373 . . . . 71.31 111.875 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.535 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.3 mmm -131.67 112.3 12.44 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.254 -0.43 . . . . 75.34 111.275 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -138.76 160.77 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 116.349 -0.387 . . . . 63.4 111.612 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -93.56 137.47 32.81 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.977 0.417 . . . . 71.35 111.912 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 17.9 m -131.95 163.43 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 116.178 -0.464 . . . . 63.54 110.904 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -93.29 -16.89 24.24 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 111.765 0.284 . . . . 73.0 111.765 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -161.46 172.86 15.75 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.101 0.477 . . . . 72.4 111.811 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -74.61 -30.53 61.7 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.085 -0.507 . . . . 72.3 112.331 -177.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -63.58 -39.9 95.59 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.964 0.887 . . . . 63.52 109.76 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -59.88 -35.56 75.08 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 114.583 -1.189 . . . . 63.32 111.423 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.612 ' HG ' ' HE3' ' B' ' 63' ' ' MET . 57.4 tp -76.67 -47.44 22.09 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 116.287 -0.415 . . . . 71.13 111.653 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 73.1 p -59.48 -32.12 69.97 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.935 0.398 . . . . 74.03 111.594 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 70.2 m -64.25 -42.42 96.51 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.256 -0.429 . . . . 73.24 111.747 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 64.7 mt -62.1 -37.32 84.66 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.69 0.281 . . . . 74.13 111.109 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.612 ' HE3' ' HG ' ' B' ' 59' ' ' LEU . 56.2 mtt -55.78 -50.93 69.11 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.104 0.478 . . . . 71.14 110.632 175.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.37 -43.2 96.81 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.784 -0.644 . . . . 60.13 111.008 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -56.54 -40.7 75.54 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.082 0.468 . . . . 74.5 111.551 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.615 HD13 HD11 ' B' ' 10' ' ' ILE . 65.9 mt -74.01 -35.02 64.37 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.163 -0.471 . . . . 72.52 111.747 178.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.448 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 95.2 mtt180 -68.71 -7.79 36.72 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.802 0.667 . . . . 73.51 112.802 -179.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -72.61 -13.3 61.35 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.102 -0.374 . . . . 73.12 111.467 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 40.8 t -86.44 108.54 17.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.301 0.572 . . . . 64.11 111.336 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -34.43 9.14 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.311 -0.859 . . . . 64.51 113.082 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.5 -20.52 73.77 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 121.134 -0.555 . . . . 74.4 113.927 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.44 HG11 HG23 ' B' ' 10' ' ' ILE . 93.5 t -99.29 134.09 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 122.358 -0.495 . . . . 73.35 111.484 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -117.06 -7.62 11.3 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 112.709 0.633 . . . . 74.23 112.709 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.647 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 8.8 p -136.31 121.46 19.03 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 120.95 0.405 . . . . 62.43 111.572 175.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.448 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 43.6 t -135.39 104.64 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.558 -0.534 . . . . 71.04 109.558 171.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -128.71 168.82 15.26 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.179 0.514 . . . . 70.04 112.328 -170.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -86.71 139.57 30.63 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.042 -0.526 . . . . 73.45 112.315 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' B' ' 9' ' ' ARG . 96.2 mt -108.47 96.64 6.49 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.071 -0.513 . . . . 72.33 110.788 174.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 71.6 m -96.85 -22.01 17.16 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.005 0.431 . . . . 64.43 111.41 175.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -86.13 81.99 8.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.066 0.46 . . . . 70.33 110.286 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 63.9 mt -98.0 141.92 30.36 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.733 0.642 . . . . 60.51 112.733 -172.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.28 3.88 50.6 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.795 -0.639 . . . . 62.14 110.59 176.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -63.39 -13.56 40.97 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.651 -0.704 . . . . 74.01 111.278 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -85.75 87.58 7.42 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.855 -0.424 . . . . 74.13 109.855 172.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -71.2 74.54 0.69 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.554 0.692 . . . . 74.25 111.614 -177.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -82.0 56.91 3.29 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.958 -0.564 . . . . 73.33 111.591 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -153.92 147.5 25.14 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.432 -0.349 . . . . 74.31 110.959 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 72.7 t60 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.87 -0.586 . . . . 73.31 111.446 -177.704 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' HB ' ' A' ' 2' ' ' THR . 41.2 tpp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 111.496 0.184 . . . . 75.3 111.496 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 1' ' ' MET . 85.2 m 75.6 -32.45 0.21 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.245 0.618 . . . . 51.41 112.094 -178.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -71.77 164.61 25.67 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.197 0.523 . . . . 64.23 111.961 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -155.05 162.21 41.12 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.194 -0.457 . . . . 74.53 111.074 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.65 105.64 12.05 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.25 0.548 . . . . 53.4 110.713 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.56 149.44 24.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.817 -0.629 . . . . 63.42 111.898 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.42 148.07 16.73 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.334 -0.46 . . . . 75.22 113.117 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.3 mt -134.36 139.64 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.687 0.395 . . . . 40.32 110.422 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' HB3' ' HG3' ' A' ' 76' ' ' GLU . 35.3 ttm180 -117.42 120.9 39.56 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.278 0.561 . . . . 72.51 111.351 177.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.604 HD11 HD13 ' A' ' 66' ' ' LEU . 53.1 mt -110.77 118.9 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.605 -0.725 . . . . 74.23 111.588 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.599 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 74.8 t -125.17 121.23 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 121.458 0.647 . . . . 71.32 111.102 174.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.44 168.18 29.1 Favored Glycine 0 CA--C 1.524 0.629 0 CA-C-N 115.655 -0.702 . . . . 70.41 112.521 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.39 129.93 41.82 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.251 0.548 . . . . 72.43 111.37 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -74.62 103.15 4.81 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.161 -0.472 . . . . 74.2 111.516 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.53 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 10.1 mmmm -112.78 -177.89 3.26 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.971 0.891 . . . . 75.03 112.616 -177.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.412 ' O ' ' ND2' ' B' ' 32' ' ' ASN . 37.4 m-80 -50.14 -27.93 6.57 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.269 -1.332 . . . . 74.35 114.019 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.33 23.61 0.86 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 119.97 -1.11 . . . . 44.21 114.822 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.53 ' HG2' ' HB2' ' A' ' 15' ' ' LYS . 74.4 mmm -70.07 -51.34 32.72 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 117.715 0.757 . . . . 70.34 112.191 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.0 p -57.86 -37.24 73.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.938 0.399 . . . . 73.12 111.812 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -76.38 -46.86 25.44 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.241 -0.436 . . . . 75.21 110.743 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.1 pt20 -65.03 -36.14 83.42 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.708 0.29 . . . . 64.33 111.633 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.437 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 10.8 mm -64.48 -53.56 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.043 0.386 . . . . 73.12 112.043 -179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.8 m -68.99 -27.7 65.94 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.094 0.473 . . . . 63.31 110.39 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.02 -49.32 68.03 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 116.206 -0.452 . . . . 62.15 112.339 173.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 21' ' ' GLN . 77.1 t -56.8 -39.35 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.208 0.528 . . . . 74.01 110.682 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.462 HG21 HD13 ' A' ' 49' ' ' LEU . 73.4 mt -63.49 -46.21 95.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 115.905 -0.589 . . . . 64.31 111.705 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.0 p -65.86 -22.42 66.53 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 111.984 0.364 . . . . 71.54 111.984 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -97.4 24.02 6.98 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.909 0.385 . . . . 73.44 111.338 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -78.49 -174.58 3.88 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.494 0.664 . . . . 74.44 111.351 171.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -91.44 -40.83 11.2 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.368 -0.833 . . . . 72.25 111.727 178.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 t -76.85 173.45 11.7 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.029 -0.532 . . . . 63.12 112.332 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.535 ' OD1' ' HB2' ' B' ' 20' ' ' ASN . 62.0 t30 -110.13 142.52 41.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.136 0.493 . . . . 72.11 111.631 -176.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -75.08 115.48 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.775 -0.648 . . . . 73.51 112.199 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 12.4 mmt180 -92.04 -33.14 14.93 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.149 0.5 . . . . 64.34 110.885 174.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 12.3 m -157.39 144.48 18.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.938 -0.573 . . . . 75.32 109.937 175.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' A' ' 48' ' ' ASN . 17.8 tt -152.41 131.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.942 0.401 . . . . 74.01 111.08 171.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.567 HG22 HG13 ' B' ' 37' ' ' VAL . 93.7 t -131.06 106.18 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.128 -0.487 . . . . 73.11 111.197 -176.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.585 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.3 tt -118.64 121.81 41.05 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.59 -0.277 . . . . 71.41 110.973 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.01 141.85 31.45 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 120.874 0.368 . . . . 70.51 111.344 173.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.575 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -109.88 129.37 55.66 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.4 0.519 . . . . 75.05 112.4 -176.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.38 162.21 40.86 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.797 -0.638 . . . . 64.31 110.268 178.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 63.53 15.58 8.94 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.689 0.396 . . . . 60.55 111.695 -177.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.36 4.27 90.24 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.007 -0.615 . . . . 73.45 112.276 -174.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.44 170.68 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 109.538 -0.542 . . . . 75.22 109.538 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 21.4 p90 -131.94 150.74 52.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.1 -0.375 . . . . 75.55 110.676 172.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 3.8 t -132.71 121.53 23.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 74.42 111.251 176.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.8 t -119.8 119.76 34.53 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.107 -0.497 . . . . 74.52 111.48 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 67.9 m-20 -98.37 115.27 28.11 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 120.77 0.319 . . . . 61.24 110.848 176.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.462 HD13 HG21 ' A' ' 26' ' ' ILE . 50.1 tp -98.73 128.79 45.1 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.436 -0.347 . . . . 42.24 111.423 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.446 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 70.5 mmm -120.44 110.27 16.3 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.393 -0.367 . . . . 71.13 110.996 178.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 32' ' ' ASN . 2.3 pp -143.0 162.19 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 116.177 -0.465 . . . . 75.33 111.789 -175.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -90.79 136.94 32.74 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.747 0.308 . . . . 74.44 111.479 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 m -129.58 142.72 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 120.867 0.365 . . . . 70.4 111.533 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.619 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 18.5 ptpt -68.75 -20.84 64.39 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.632 0.604 . . . . 73.45 112.632 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.619 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.0 p30 -166.19 168.48 15.25 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.1 0.476 . . . . 75.23 111.907 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.2 p -63.61 -32.26 73.68 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.207 -0.451 . . . . 72.15 112.061 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' HB3' ' OD1' ' A' ' 55' ' ' ASN . 21.4 t70 -65.04 -40.97 95.59 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.499 0.666 . . . . 71.55 109.806 178.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -60.02 -30.99 69.53 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.351 -0.84 . . . . 63.03 111.348 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.401 HD21 ' HG3' ' A' ' 77' ' ' ARG . 51.6 tp -76.47 -48.62 18.96 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.347 -0.388 . . . . 74.04 111.811 179.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.445 ' HA ' ' HG3' ' A' ' 63' ' ' MET . 5.1 t -68.3 -28.58 67.3 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.979 0.419 . . . . 54.44 111.65 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.8 m -59.0 -40.74 85.83 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 120.915 0.388 . . . . 74.52 110.997 172.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.79 -34.98 78.39 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.336 -0.227 . . . . 63.13 111.245 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.445 ' HG3' ' HA ' ' A' ' 60' ' ' THR . 50.7 mtt -54.25 -51.78 63.43 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.955 0.407 . . . . 73.12 110.3 175.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 33.1 t70 -52.29 -51.8 56.51 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.9 -0.591 . . . . 61.53 111.474 178.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -53.43 -37.32 62.46 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.757 -0.656 . . . . 70.43 111.82 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.604 HD13 HD11 ' A' ' 10' ' ' ILE . 52.4 mt -81.71 -28.38 33.47 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.049 0.452 . . . . 74.21 111.676 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 63' ' ' MET . 92.1 mtt180 -75.38 -7.47 54.12 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.419 -0.355 . . . . 74.31 111.752 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 2.3 mmmp? -72.28 -8.13 53.19 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.81 0.338 . . . . 54.2 111.734 178.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 71' ' ' GLY . 46.5 t -92.25 114.94 30.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 121.145 0.498 . . . . 74.31 111.393 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -56.0 -23.23 31.55 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.958 0.725 . . . . 75.33 112.958 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.447 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -80.88 -17.01 73.65 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 120.893 -0.67 . . . . 53.04 113.921 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.9 t -96.33 126.3 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 117.674 0.737 . . . . 65.34 111.772 -178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.27 -12.61 15.04 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.56 0.578 . . . . 72.4 112.56 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.599 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.8 p -131.72 117.94 19.29 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.324 0.583 . . . . 72.52 111.75 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.9 t -130.27 104.87 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.143 -0.688 . . . . 61.41 109.143 169.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG3' ' HB3' ' A' ' 9' ' ' ARG . 8.2 pt-20 -130.14 162.0 29.83 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.795 0.665 . . . . 72.35 112.795 -167.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.401 ' HG3' HD21 ' A' ' 59' ' ' LEU . 42.3 ttp180 -91.63 130.48 37.43 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.674 -0.693 . . . . 71.43 112.048 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.6 mt -96.15 107.66 20.01 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.266 -0.425 . . . . 72.41 111.332 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.6 t -87.69 -47.74 8.42 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.006 0.432 . . . . 64.34 110.785 176.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -75.34 124.96 28.02 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.42 -0.355 . . . . 72.21 110.244 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.471 ' HB3' ' HD2' ' A' ' 83' ' ' HIS . 71.1 mt -130.68 152.32 50.17 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.069 0.462 . . . . 74.54 110.775 -173.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.76 -0.43 38.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.372 0.606 . . . . 64.1 111.397 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.471 ' HD2' ' HB3' ' A' ' 81' ' ' LEU . 21.6 m-70 -73.11 -41.24 64.24 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.893 -0.594 . . . . 73.32 111.05 -176.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 85.3 t60 68.02 -16.29 0.19 Allowed 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.983 1.105 . . . . 71.24 113.983 171.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -68.48 102.56 1.47 Allowed 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.834 -0.541 . . . . 54.21 112.196 -176.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -69.83 178.31 2.69 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.712 -0.677 . . . . 74.2 109.673 172.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -49.53 -22.29 1.21 Allowed 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.994 -0.441 . . . . 62.44 111.849 174.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 . . . . . 0 C--O 1.254 1.294 0 CA-C-O 118.95 -0.547 . . . . 41.23 110.906 173.543 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.6 ttm . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 120.835 0.35 . . . . 74.11 111.166 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 59.4 m -99.54 151.84 20.69 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.88 0.371 . . . . 72.33 111.24 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -71.4 179.62 2.87 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 121.223 0.535 . . . . 73.21 112.264 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -154.75 163.68 39.9 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.35 -0.386 . . . . 61.14 111.081 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -86.09 108.48 18.3 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.913 0.387 . . . . 72.13 111.299 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.465 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -97.4 146.16 25.46 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.175 -0.466 . . . . 61.42 111.83 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.47 142.94 14.4 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 121.225 -0.512 . . . . 61.45 113.208 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 mt -132.5 146.45 32.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 122.814 0.446 . . . . 55.54 110.458 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -126.83 130.68 50.72 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.177 -0.327 . . . . 73.13 110.877 173.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.564 HD11 HD13 ' B' ' 66' ' ' LEU . 25.9 mt -118.07 116.63 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 116.364 -0.38 . . . . 53.21 111.464 -177.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.602 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 87.0 t -117.43 113.43 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.637 0.732 . . . . 65.11 111.133 175.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.64 169.68 23.71 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 115.378 -0.828 . . . . 41.35 112.176 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -66.68 137.12 56.46 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.334 0.588 . . . . 62.43 111.824 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -74.09 93.4 2.27 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.749 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.621 ' HB2' ' HG3' ' B' ' 18' ' ' MET . 8.6 mmmm -97.1 -177.84 3.99 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.513 0.931 . . . . 64.23 113.513 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -31.37 -44.78 0.07 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 113.556 -1.656 . . . . 63.23 113.146 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.56 28.54 0.29 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 121.028 -0.606 . . . . 71.45 113.279 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.621 ' HG3' ' HB2' ' B' ' 15' ' ' LYS . 38.7 mtp -61.61 -43.98 97.84 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.396 -0.473 . . . . 71.35 112.249 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 47.2 p -55.64 -39.02 70.31 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.976 0.417 . . . . 73.22 111.896 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.535 ' HB2' ' OD1' ' A' ' 32' ' ' ASN . 36.0 t-20 -75.4 -47.06 29.18 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.934 0.397 . . . . 70.45 111.194 -178.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.554 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 8.5 pt20 -64.52 -38.72 92.0 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.576 -0.284 . . . . 70.3 111.391 -178.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' B' ' 22' ' ' ILE . 9.2 mm -56.89 -53.51 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.722 0.296 . . . . 62.42 111.704 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 9.4 m -72.26 -28.08 62.9 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.424 0.63 . . . . 54.22 110.428 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.27 -35.8 92.56 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 115.878 -0.601 . . . . 72.32 113.128 174.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 95.0 t -75.17 -35.63 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 122.397 -0.472 . . . . 74.15 111.039 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.513 HG21 HD13 ' B' ' 49' ' ' LEU . 62.3 mt -56.12 -42.72 73.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-O 120.906 0.384 . . . . 71.32 111.508 175.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 91.8 p -61.53 -21.11 63.97 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.882 0.372 . . . . 71.32 111.431 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -87.63 9.34 21.65 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.252 0.464 . . . . 71.21 112.252 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -78.4 174.99 10.7 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.644 0.735 . . . . 64.45 112.145 178.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.45 13.99 22.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.412 -0.813 . . . . 64.24 111.097 -177.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . 0.483 HG21 HD13 ' B' ' 51' ' ' ILE . 4.6 t -135.24 169.42 17.5 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.966 0.413 . . . . 65.4 112.01 -174.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 16' ' ' ASN . 22.3 m120 -97.4 120.01 36.99 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.561 0.578 . . . . 75.23 112.561 -174.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 59.8 mt -63.51 95.98 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 CA-C-N 115.88 -0.6 . . . . 74.33 111.359 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -77.5 -28.23 52.08 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.228 0.537 . . . . 73.11 111.306 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 69.3 m -156.43 132.16 9.6 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.859 -0.61 . . . . 64.14 110.447 175.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.778 HD11 ' SG ' ' B' ' 47' ' ' CYS . 10.6 tp -135.33 120.87 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-O 120.9 0.381 . . . . 75.54 110.321 175.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.567 HG13 HG22 ' A' ' 37' ' ' VAL . 67.7 t -127.9 103.29 10.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.063 0.459 . . . . 74.02 111.221 179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' A' ' 35' ' ' THR . 8.2 tt -110.8 119.44 39.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.462 -0.336 . . . . 74.42 110.149 177.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -123.22 128.14 49.59 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.094 0.473 . . . . 71.33 110.539 172.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -104.48 117.62 34.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 63.21 110.932 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.441 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -134.21 136.53 43.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.032 0.444 . . . . 50.3 111.343 -177.116 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 t70 38.63 69.54 0.26 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.23 1.012 . . . . 75.35 113.365 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.32 -4.7 24.64 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.048 0.779 . . . . 64.21 115.048 173.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.03 169.3 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 118.065 0.932 . . . . 54.34 111.002 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.546 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 45.0 p90 -140.06 163.08 33.65 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.794 0.33 . . . . 75.42 111.087 173.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.567 ' HB ' HG22 ' B' ' 11' ' ' VAL . 3.7 t -137.23 117.14 13.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.932 0.396 . . . . 73.32 111.136 171.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.778 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.4 t -100.83 113.24 25.99 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.035 -0.53 . . . . 51.43 111.036 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -97.6 107.63 20.17 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.383 -0.371 . . . . 75.22 111.135 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.513 HD13 HG21 ' B' ' 26' ' ' ILE . 52.5 tp -98.67 133.1 43.48 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.994 0.425 . . . . 63.34 112.042 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.535 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 66.4 mmm -125.73 111.41 14.89 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.425 -0.352 . . . . 65.34 110.975 175.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.483 HD13 HG21 ' B' ' 31' ' ' THR . 2.6 pp -140.34 159.09 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 120.832 0.349 . . . . 64.43 111.793 -176.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -90.2 137.57 32.24 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.881 0.372 . . . . 70.33 111.567 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 11.8 m -131.32 148.44 32.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 116.134 -0.484 . . . . 71.33 111.015 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.491 ' H ' ' HD2' ' B' ' 54' ' ' LYS . 0.0 OUTLIER -80.51 -23.18 40.26 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.439 0.638 . . . . 71.3 110.559 177.576 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -154.17 164.09 39.07 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.417 -0.81 . . . . 71.14 111.305 -173.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.3 p -72.55 -28.34 62.77 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.057 0.392 . . . . 71.15 112.057 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.48 -42.27 82.3 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.159 0.504 . . . . 64.11 110.764 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.31 -50.8 70.4 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.977 -0.556 . . . . 70.23 110.714 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.465 HD13 ' HB1' ' B' ' 6' ' ' ALA . 49.6 tp -58.94 -46.85 87.0 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.94 -0.573 . . . . 74.23 111.643 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 51.2 p -66.68 -27.63 67.81 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.127 0.417 . . . . 62.3 112.127 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 88.3 m -73.16 -41.4 63.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.873 0.368 . . . . 73.11 110.861 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 86.5 mt -58.28 -36.56 73.49 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.848 0.356 . . . . 72.41 111.333 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.451 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 65.6 mtt -52.29 -53.67 41.2 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.189 -0.46 . . . . 50.43 110.86 175.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -54.99 -51.85 64.93 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.142 -0.481 . . . . 70.13 110.989 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -51.74 -34.42 39.07 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.761 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.564 HD13 HD11 ' B' ' 10' ' ' ILE . 44.2 mt -82.84 -30.0 29.01 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.133 0.492 . . . . 74.05 111.644 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.46 ' HE ' ' HB ' ' B' ' 75' ' ' VAL . 97.1 mtt180 -76.45 -7.06 54.3 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.411 0.523 . . . . 74.04 112.411 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -70.48 -19.22 62.96 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.757 0.313 . . . . 72.34 110.84 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.7 t -81.92 107.77 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-O 120.95 0.405 . . . . 72.14 110.11 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -63.29 -13.21 35.9 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.558 0.577 . . . . 64.31 112.558 -175.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.99 -22.83 70.58 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.361 -0.447 . . . . 22.11 113.373 175.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 76.3 t -86.34 137.85 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 122.328 -0.513 . . . . 70.35 110.93 177.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.5 -20.54 11.24 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.477 0.547 . . . . 75.32 112.477 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.602 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.8 p -129.76 124.25 32.99 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.175 0.512 . . . . 74.45 112.021 178.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.46 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 47.9 t -135.35 104.26 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 109.138 -0.69 . . . . 44.03 109.138 171.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -123.27 164.52 18.61 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.935 0.717 . . . . 74.3 112.935 -168.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -94.53 126.32 39.74 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.696 -0.684 . . . . 53.34 111.24 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.29 115.37 22.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.818 0.342 . . . . 74.31 111.283 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 43.3 t -86.1 -62.99 1.39 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.024 0.44 . . . . 65.35 111.396 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -73.82 105.9 5.31 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.947 0.403 . . . . 75.54 110.594 177.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 49.8 mt -94.9 139.8 30.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.295 0.569 . . . . 72.52 112.025 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -84.45 25.64 0.86 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.731 0.777 . . . . 75.13 110.678 178.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -100.27 -16.78 17.6 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.247 -0.888 . . . . 71.4 111.264 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -154.63 134.04 12.63 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.221 -0.445 . . . . 71.44 111.31 -176.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -87.96 -36.79 16.88 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.216 0.532 . . . . 75.23 110.258 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -159.26 149.02 18.77 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.836 -0.62 . . . . 51.25 110.994 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -55.26 146.29 19.49 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.862 0.319 . . . . 74.01 111.862 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 . . . . . 0 C--O 1.252 1.212 0 CA-C-O 118.981 -0.533 . . . . 72.42 112.083 177.643 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 120.813 0.34 . . . . 60.11 110.827 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -110.26 162.3 14.76 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.291 0.567 . . . . 62.12 112.02 -178.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.425 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 1.7 p30 -139.06 -179.97 6.16 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.707 -0.679 . . . . 50.54 110.84 177.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.401 ' HZ ' ' HA ' ' A' ' 56' ' ' THR . 54.0 p90 -152.63 155.29 37.05 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.156 0.503 . . . . 73.51 110.873 173.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 tp -79.99 105.18 11.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.445 0.64 . . . . 74.25 110.806 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.54 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -93.88 129.95 40.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.504 -0.771 . . . . 51.42 111.898 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' HA3' ' HB2' ' A' ' 78' ' ' LEU . . . -111.16 149.3 17.89 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 121.289 -0.481 . . . . 45.2 112.725 177.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.632 HD12 HD23 ' A' ' 49' ' ' LEU . 38.2 mt -134.3 137.93 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 116.853 0.326 . . . . 55.43 111.164 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.484 ' HB2' HD21 ' A' ' 78' ' ' LEU . 33.0 ttt180 -114.14 122.68 47.58 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.713 -0.221 . . . . 73.42 110.899 176.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.708 HD11 HD13 ' A' ' 66' ' ' LEU . 24.4 mt -118.46 116.85 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 116.682 -0.235 . . . . 65.22 111.114 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.532 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 87.9 t -119.15 118.1 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-O 121.518 0.675 . . . . 53.21 111.668 176.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.26 165.61 25.97 Favored Glycine 0 CA--C 1.523 0.548 0 CA-C-N 115.488 -0.778 . . . . 54.11 112.203 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -71.68 138.79 48.86 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 121.206 0.527 . . . . 73.14 112.362 -177.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.1 90.26 0.09 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.121 -0.49 . . . . 64.33 111.872 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.639 ' HB2' ' HG3' ' A' ' 18' ' ' MET . 10.5 mmmm -96.53 -177.52 3.96 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.712 0.768 . . . . 74.35 112.14 175.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -42.82 -29.49 0.32 Allowed 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.387 1.254 . . . . 74.3 114.387 178.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.12 42.28 0.16 Allowed Glycine 0 CA--C 1.529 0.962 0 C-N-CA 120.198 -1.001 . . . . 41.41 114.341 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.639 ' HG3' ' HB2' ' A' ' 15' ' ' LYS . 45.5 mtp -68.62 -37.29 79.64 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.928 -0.748 . . . . 73.21 112.401 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 p -60.81 -35.93 77.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.778 0.323 . . . . 70.44 111.328 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -69.02 -48.73 62.26 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.139 0.495 . . . . 75.22 110.72 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.514 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.8 pt20 -66.03 -36.26 82.76 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.074 -0.512 . . . . 72.41 111.552 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.443 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 11.4 mm -63.07 -52.96 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 111.703 0.26 . . . . 74.1 111.703 -178.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.5 m -71.4 -27.03 63.03 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.157 0.503 . . . . 75.25 110.205 176.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.99 -44.35 97.29 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-N 116.117 -0.492 . . . . 50.32 112.568 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 21' ' ' GLN . 88.7 t -62.86 -34.62 67.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 122.24 -0.565 . . . . 73.24 110.445 174.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.462 HG22 HD11 ' A' ' 33' ' ' ILE . 73.7 mt -65.93 -39.04 83.5 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.084 -0.507 . . . . 73.42 111.49 175.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.6 p -68.79 -20.56 64.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.269 0.557 . . . . 72.25 110.74 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HD2' ' HA ' ' A' ' 25' ' ' VAL . 62.7 mttm -73.58 -16.66 61.24 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.993 -0.548 . . . . 61.31 111.796 174.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -66.06 147.85 52.71 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.388 0.613 . . . . 65.52 112.269 -178.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -72.48 -22.88 60.99 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.728 -0.669 . . . . 72.14 111.361 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.9 t -83.16 161.36 21.6 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.357 -0.383 . . . . 72.12 110.769 175.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.627 ' HA ' HD22 ' B' ' 20' ' ' ASN . 2.7 m120 -106.97 137.25 45.39 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.377 0.608 . . . . 64.11 112.44 -178.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.462 HD11 HG22 ' A' ' 26' ' ' ILE . 3.0 mp -61.7 109.26 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 115.203 -0.908 . . . . 64.22 111.502 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 34' ' ' ARG . 10.7 mmt180 -82.6 -37.75 24.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.613 0.72 . . . . 73.32 109.904 175.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.571 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 13.3 m -155.49 145.34 21.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.159 -0.928 . . . . 54.42 109.417 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.404 HD12 HD13 ' A' ' 49' ' ' LEU . 18.1 tt -154.13 133.62 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.199 0.523 . . . . 65.01 111.996 174.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.441 HG13 HG22 ' B' ' 37' ' ' VAL . 60.4 t -132.87 104.58 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 115.904 -0.589 . . . . 62.44 111.022 178.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.646 ' HB3' HG22 ' B' ' 36' ' ' ILE . 6.5 tt -105.36 116.59 32.2 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.209 -0.663 . . . . 53.14 109.209 175.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.405 ' ND2' HG23 ' A' ' 46' ' ' THR . 0.2 OUTLIER -132.18 125.38 31.06 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.234 0.54 . . . . 73.15 111.562 177.773 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.575 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.31 135.51 41.64 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.714 -0.675 . . . . 74.14 111.845 -178.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.653 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -113.59 -137.08 0.37 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.626 -0.715 . . . . 62.32 110.814 -178.699 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.48 87.0 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.6 0.593 . . . . 75.25 112.6 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.93 2.82 48.59 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 114.754 0.662 . . . . 41.44 114.754 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.602 ' HB ' ' HE3' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -136.87 161.01 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 117.535 0.668 . . . . 74.11 110.617 179.11 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 42.3 p90 -131.61 150.97 51.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.719 0.295 . . . . 74.23 111.205 176.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 3.2 t -124.17 113.65 18.61 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.041 0.448 . . . . 73.43 110.54 172.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.421 ' HB3' ' HB ' ' A' ' 10' ' ' ILE . 52.4 t -93.5 105.24 17.32 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.103 -0.499 . . . . 45.2 111.285 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -89.11 105.27 17.68 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.556 -0.293 . . . . 51.33 110.858 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.632 HD23 HD12 ' A' ' 8' ' ' ILE . 55.6 tp -99.04 134.37 41.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.767 0.318 . . . . 75.32 111.841 -179.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.571 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 67.5 mmm -127.08 112.92 15.75 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.781 0.324 . . . . 74.01 111.318 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 32' ' ' ASN . 2.5 pp -141.88 161.72 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-N 116.421 -0.354 . . . . 70.51 111.427 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -95.56 133.42 39.61 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.127 0.489 . . . . 73.32 112.036 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.6 m -131.3 142.98 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 116.081 -0.508 . . . . 74.03 111.006 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.635 ' H ' ' HD3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -86.41 -12.24 49.71 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.759 0.314 . . . . 74.01 111.84 174.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.52 ' HB2' ' HB3' ' A' ' 58' ' ' LYS . 11.9 m120 -133.14 140.94 47.88 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 122.02 -0.425 . . . . 61.34 111.684 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.401 ' HA ' ' HZ ' ' A' ' 4' ' ' PHE . 69.8 p -64.13 -39.13 93.37 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.469 0.652 . . . . 75.25 110.399 171.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.71 -41.73 95.8 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.33 -0.85 . . . . 64.1 110.484 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 55' ' ' ASN . 40.5 tptt -57.34 -33.15 67.45 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.271 -0.877 . . . . 74.33 111.322 175.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.54 HD13 ' HB1' ' A' ' 6' ' ' ALA . 40.4 tp -72.7 -47.82 43.97 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 120.699 0.285 . . . . 62.32 111.694 175.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -58.53 -32.98 69.37 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.734 0.302 . . . . 63.33 110.963 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.547 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 91.6 m -56.04 -45.56 79.16 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.212 -0.449 . . . . 53.43 111.248 175.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.37 -48.39 78.11 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.384 -0.371 . . . . 74.22 111.594 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.496 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 75.9 mtm -57.83 -39.16 76.99 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.757 0.313 . . . . 73.34 111.115 178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.45 -45.95 90.13 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.963 0.411 . . . . 65.24 110.929 174.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 61' ' ' THR . 29.8 mtpp -57.43 -36.86 71.9 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.082 -0.508 . . . . 71.22 111.498 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.708 HD13 HD11 ' A' ' 10' ' ' ILE . 42.4 mt -77.22 -27.96 53.59 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.161 -0.472 . . . . 54.04 111.9 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 63' ' ' MET . 98.4 mtt180 -71.47 -7.28 46.41 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.277 0.473 . . . . 62.14 112.277 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -72.69 -10.06 59.35 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 111.868 0.322 . . . . 75.31 111.868 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.2 t -85.52 113.53 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.174 0.511 . . . . 74.23 111.735 -177.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -54.97 -30.57 59.42 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.084 0.772 . . . . 74.43 113.084 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.27 -17.27 79.64 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.103 -0.57 . . . . 73.3 113.989 -177.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 99.6 t -86.58 146.7 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 117.294 0.547 . . . . 64.35 111.304 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -125.57 -15.38 6.09 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.613 0.598 . . . . 74.52 112.613 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.532 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 2.9 p -130.97 122.98 27.84 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 121.12 0.486 . . . . 60.24 111.618 175.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.412 ' HB ' ' HE ' ' A' ' 67' ' ' ARG . 41.0 t -137.18 104.91 3.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 N-CA-C 109.453 -0.573 . . . . 72.41 109.453 172.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.409 ' HG3' ' HB3' ' A' ' 9' ' ' ARG . 10.9 pt-20 -134.87 163.35 30.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.202 -0.454 . . . . 60.1 111.862 -171.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -85.01 145.0 27.92 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.329 0.585 . . . . 74.03 112.22 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 9' ' ' ARG . 93.6 mt -100.54 111.53 23.79 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.923 -0.581 . . . . 75.54 110.537 172.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.6 p -92.81 -58.76 2.24 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.051 0.453 . . . . 54.21 111.86 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -69.73 100.66 1.53 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.287 0.565 . . . . 74.4 111.908 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.6 mt -112.93 158.75 19.83 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.069 -0.514 . . . . 74.43 111.571 -178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.92 11.43 22.28 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.09 0.404 . . . . 73.05 112.09 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -71.2 130.73 42.19 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.833 0.349 . . . . 75.35 111.653 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -106.48 142.36 36.27 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.782 0.325 . . . . 74.42 111.577 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -93.19 -5.29 50.37 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.968 0.413 . . . . 55.12 111.07 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -60.03 111.41 1.49 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.78 0.659 . . . . 64.14 112.78 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -101.33 164.37 11.81 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.584 -0.735 . . . . 74.35 109.863 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.593 -0.718 . . . . 75.24 110.996 174.21 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 120.681 0.277 . . . . 71.51 111.055 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.6 t -93.52 155.0 17.58 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.371 -0.377 . . . . 72.23 111.831 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.506 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 2.1 p-10 -72.67 134.75 45.22 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.124 0.488 . . . . 72.15 112.043 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.404 ' HE1' HH12 ' B' ' 77' ' ' ARG . 52.0 p90 -131.4 158.63 40.26 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.608 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 50.5 tp -77.55 105.14 8.51 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.216 0.531 . . . . 62.45 111.067 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.17 133.28 47.29 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.069 -0.514 . . . . 72.5 111.831 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.02 144.26 15.86 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 121.018 -0.61 . . . . 61.14 113.095 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.499 HD12 HD23 ' B' ' 49' ' ' LEU . 37.3 mt -125.93 142.01 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 122.451 0.3 . . . . 63.14 110.401 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.499 ' HB3' ' HG3' ' B' ' 76' ' ' GLU . 0.0 OUTLIER -120.64 118.24 29.63 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.907 0.384 . . . . 75.34 110.252 -177.163 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.546 ' O ' ' HA ' ' B' ' 46' ' ' THR . 40.3 mt -115.65 117.61 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 116.344 -0.389 . . . . 72.42 111.544 -176.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.553 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 53.6 t -117.55 109.89 29.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.453 0.644 . . . . 74.4 110.605 172.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.86 161.58 23.78 Favored Glycine 0 CA--C 1.522 0.49 0 CA-C-N 115.575 -0.738 . . . . 51.45 112.258 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -69.68 143.3 53.2 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.391 0.615 . . . . 73.44 112.205 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.35 91.02 0.53 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.952 -0.567 . . . . 74.03 111.435 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.56 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 23.8 mmtm -89.69 -178.94 5.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.607 0.718 . . . . 62.32 111.957 170.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -66.79 -21.29 66.05 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.953 -1.021 . . . . 74.35 112.288 178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.453 ' HA2' ' ND2' ' A' ' 32' ' ' ASN . . . -151.86 26.42 0.92 Allowed Glycine 0 CA--C 1.529 0.943 0 C-N-CA 120.559 -0.829 . . . . 60.43 114.28 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.56 ' HG2' ' HB2' ' B' ' 15' ' ' LYS . 38.7 mmm -74.33 -50.19 19.82 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.942 -0.74 . . . . 74.34 112.267 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 69.0 p -55.2 -39.7 69.93 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.941 0.401 . . . . 55.5 111.777 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.627 HD22 ' HA ' ' A' ' 32' ' ' ASN . 9.8 t-20 -76.04 -44.81 37.43 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.883 0.373 . . . . 73.25 110.957 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 7.9 pt20 -65.77 -34.63 78.61 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.681 0.277 . . . . 63.41 111.66 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' B' ' 22' ' ' ILE . 9.4 mm -64.96 -53.56 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 111.916 0.339 . . . . 71.34 111.916 -178.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.6 m -70.88 -27.3 63.72 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.099 0.476 . . . . 64.22 110.418 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.486 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.41 -52.46 53.07 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 116.071 -0.513 . . . . 75.03 112.303 171.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 50.1 t -56.38 -40.47 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 121.041 0.448 . . . . 64.42 110.967 174.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.401 HG21 HD13 ' B' ' 49' ' ' LEU . 71.1 mt -59.53 -46.36 93.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 115.997 -0.547 . . . . 72.23 112.193 177.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 89.7 p -63.01 -22.26 66.73 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 120.911 0.386 . . . . 51.3 111.544 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.556 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 7.6 mtpm? -73.32 -13.8 61.18 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.279 0.474 . . . . 65.54 112.279 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -66.47 154.78 39.36 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.599 0.714 . . . . 75.23 112.741 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -67.65 -37.12 81.97 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.101 -0.954 . . . . 42.03 111.733 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 5.5 t -74.77 151.14 39.15 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.966 -0.561 . . . . 64.43 111.79 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -83.22 123.49 29.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.836 0.35 . . . . 42.12 110.97 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.504 ' HA ' HG22 ' B' ' 51' ' ' ILE . 67.2 mt -66.15 95.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.088 0.47 . . . . 71.12 111.099 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.57 -31.76 65.49 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.974 0.416 . . . . 61.51 110.747 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 53.4 m -159.83 139.06 11.03 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.051 -0.522 . . . . 64.33 110.964 175.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.646 HG22 ' HB3' ' A' ' 38' ' ' LEU . 10.6 tp -138.19 131.75 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 120.735 0.302 . . . . 53.23 110.51 174.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.441 HG22 HG13 ' A' ' 37' ' ' VAL . 94.2 t -131.27 108.5 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-O 120.762 0.315 . . . . 72.23 111.455 179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tt -114.42 116.18 28.48 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.812 0.339 . . . . 75.04 110.305 177.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 5.0 p-10 -135.02 128.37 32.21 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.041 0.448 . . . . 74.32 111.467 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.524 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -108.86 134.95 50.86 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.105 0.479 . . . . 72.22 111.897 -177.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.39 152.92 33.76 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.013 -0.54 . . . . 74.23 110.677 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 57.8 20.66 6.72 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 112.948 0.722 . . . . 63.33 112.948 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.83 11.12 65.99 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 120.947 -0.644 . . . . 63.13 113.394 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mt -134.63 158.5 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 122.716 0.406 . . . . 74.32 110.163 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.524 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 39.4 p90 -128.5 143.01 50.91 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.888 -0.507 . . . . 72.31 111.213 178.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.546 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.1 t -118.84 99.94 7.07 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.315 0.579 . . . . 60.44 111.431 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.604 ' SG ' HD11 ' B' ' 36' ' ' ILE . 44.2 t -95.18 119.18 33.24 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.31 -0.404 . . . . 71.52 111.28 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.474 ' O ' HD12 ' B' ' 36' ' ' ILE . 52.1 m-20 -103.23 116.34 32.28 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.679 0.276 . . . . 61.13 110.808 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.499 HD23 HD12 ' B' ' 8' ' ' ILE . 42.6 tp -98.83 125.65 44.26 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.062 0.458 . . . . 65.14 111.675 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.545 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 58.8 mmm -117.15 107.36 14.38 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.305 -0.407 . . . . 63.12 111.038 178.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -140.03 177.03 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 116.235 -0.439 . . . . 74.32 111.829 -176.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -108.52 129.65 55.29 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.084 0.469 . . . . 73.11 111.863 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 15.3 m -124.79 142.8 40.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 116.299 -0.41 . . . . 72.21 111.402 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.507 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 19.0 ptpt -70.18 -29.1 65.89 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.249 0.462 . . . . 74.42 112.249 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.507 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 12.3 p30 -156.74 176.81 12.25 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.121 0.486 . . . . 60.23 111.631 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 69.7 p -72.24 -33.37 67.49 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.441 0.534 . . . . 64.53 112.441 -176.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.32 -37.41 87.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.677 0.751 . . . . 61.41 110.066 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -57.87 -43.62 86.11 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.24 -0.891 . . . . 61.53 110.902 172.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.433 ' CD2' HH11 ' B' ' 77' ' ' ARG . 64.4 tp -65.77 -47.35 75.48 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.189 -0.459 . . . . 65.32 111.829 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 67.5 p -61.61 -27.46 68.67 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 111.723 0.268 . . . . 75.11 111.723 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 84.9 m -60.27 -48.85 79.98 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.094 0.473 . . . . 73.32 111.02 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 68.8 mt -58.54 -37.61 76.05 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.241 -0.436 . . . . 75.25 111.005 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.449 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 62.9 mtt -53.94 -50.25 66.87 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.27 -0.423 . . . . 63.44 110.797 176.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.517 ' O ' ' HE3' ' B' ' 68' ' ' LYS . 18.0 t70 -57.07 -47.67 80.45 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.493 -0.321 . . . . 72.01 110.768 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -53.01 -41.52 64.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.105 0.478 . . . . 74.34 111.887 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.52 HD13 HD11 ' B' ' 10' ' ' ILE . 43.1 mt -76.0 -26.49 56.75 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.065 -0.516 . . . . 71.4 111.502 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.3 mtt180 -78.8 -7.86 58.24 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.375 -0.375 . . . . 72.12 111.953 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' B' ' 68' ' ' LYS . 9.4 mmpt? -72.12 -25.96 61.94 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.864 0.364 . . . . 74.34 111.444 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.518 HG12 ' H ' ' B' ' 71' ' ' GLY . 46.1 t -78.7 125.34 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 121.42 0.629 . . . . 72.42 112.103 -174.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -56.53 -31.7 64.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.436 -0.802 . . . . 72.31 112.685 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.518 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -73.11 -24.32 75.95 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 114.523 0.569 . . . . 64.24 114.523 -177.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.8 139.78 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 117.871 0.835 . . . . 74.21 111.688 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.418 ' CE2' HG12 ' B' ' 11' ' ' VAL . 0.5 OUTLIER -121.0 -17.62 7.76 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.457 0.539 . . . . 75.14 112.457 176.877 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.553 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 4.2 p -128.98 119.69 24.75 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.016 0.436 . . . . 65.14 112.035 176.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.421 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 47.5 t -132.05 105.29 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.825 -0.435 . . . . 52.53 109.825 172.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.499 ' HG3' ' HB3' ' B' ' 9' ' ' ARG . 7.8 pt-20 -133.49 165.87 23.88 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.084 -0.507 . . . . 63.54 112.027 -170.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.433 HH11 ' CD2' ' B' ' 59' ' ' LEU . 22.1 ttt85 -91.07 130.63 36.96 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.321 0.489 . . . . 65.1 112.321 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.424 ' HG ' ' HB2' ' B' ' 9' ' ' ARG . 96.9 mt -91.18 106.39 18.47 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.167 -0.47 . . . . 54.55 110.482 173.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 47.1 t -89.75 -37.26 14.66 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.011 0.434 . . . . 62.23 111.367 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -89.1 97.73 11.36 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.999 0.428 . . . . 70.11 110.506 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 mt -95.89 156.28 16.4 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.745 0.646 . . . . 62.11 112.745 -172.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.35 21.29 4.56 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.581 -0.736 . . . . 71.44 110.301 172.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -104.59 73.27 1.08 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.798 -0.637 . . . . 74.42 111.777 -174.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.82 133.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.023 0.44 . . . . 61.25 111.369 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -126.37 138.91 53.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 64.34 110.578 176.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -65.61 94.06 0.18 Allowed 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.981 0.42 . . . . 73.31 111.607 -175.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -98.32 83.74 3.11 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.055 0.455 . . . . 71.41 111.008 176.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 . . . . . 0 C--O 1.25 1.125 0 CA-C-N 115.546 -0.752 . . . . 75.31 112.13 -179.168 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.3 mtm . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 120.677 0.275 . . . . 72.34 111.217 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.6 p -53.83 113.67 1.29 Allowed 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.226 0.454 . . . . 75.11 112.226 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.495 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 8.4 p-10 -71.81 120.03 16.82 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.197 0.522 . . . . 74.22 111.157 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -125.96 154.74 42.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.958 0.408 . . . . 73.54 110.173 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.5 tp -78.81 103.01 8.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.555 0.693 . . . . 65.1 110.772 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.479 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -94.0 132.71 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.473 -0.785 . . . . 72.43 111.697 -178.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.24 146.06 17.69 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 121.176 -0.535 . . . . 62.54 112.771 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.421 HD12 HD23 ' A' ' 49' ' ' LEU . 55.2 mt -132.58 132.61 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 122.675 -0.309 . . . . 71.1 110.88 177.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.525 ' HB2' HD21 ' A' ' 78' ' ' LEU . 56.4 ttt180 -109.45 124.39 50.96 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.958 0.409 . . . . 74.55 110.837 174.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.577 ' HB ' ' HB3' ' A' ' 47' ' ' CYS . 37.9 mt -113.38 116.82 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 115.896 -0.593 . . . . 72.22 110.728 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.625 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 59.9 t -118.68 109.9 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 121.782 0.801 . . . . 61.32 111.062 175.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.33 164.28 23.88 Favored Glycine 0 CA--C 1.52 0.38 0 CA-C-N 115.213 -0.903 . . . . 71.44 111.813 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.98 140.16 48.98 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.398 0.618 . . . . 74.45 112.477 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -71.45 103.74 3.02 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.735 -0.666 . . . . 73.02 110.644 177.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 18' ' ' MET . 0.0 OUTLIER -163.36 147.5 10.81 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.361 -0.381 . . . . 72.44 111.39 -178.663 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 m120 52.37 19.26 1.09 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.881 1.067 . . . . 54.51 113.881 168.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.54 34.98 27.04 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 120.88 -0.676 . . . . 74.43 113.192 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.515 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 52.0 mmm -55.89 -49.04 74.49 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.804 0.441 . . . . 61.02 112.017 178.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.9 p -50.58 -37.71 41.37 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.118 0.485 . . . . 63.21 111.735 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.566 ' HA ' HD12 ' B' ' 33' ' ' ILE . 26.0 t-20 -75.46 -46.8 30.37 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.987 -0.551 . . . . 52.23 111.039 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.515 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 8.5 pt20 -66.15 -38.19 87.51 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.854 0.359 . . . . 74.21 111.299 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 22' ' ' ILE . 13.8 mm -63.62 -53.81 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 112.241 0.46 . . . . 74.43 112.241 -176.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.4 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.0 m -68.8 -27.57 65.98 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.367 0.603 . . . . 72.43 110.284 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.95 -46.61 93.74 Favored Glycine 0 CA--C 1.528 0.867 0 CA-C-N 115.803 -0.635 . . . . 64.23 112.608 173.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 21' ' ' GLN . 95.5 t -64.3 -37.21 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 O-C-N 122.569 -0.371 . . . . 64.5 111.299 176.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.451 HG21 HD13 ' A' ' 49' ' ' LEU . 68.0 mt -55.21 -44.68 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 120.998 0.428 . . . . 75.1 112.034 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' B' ' 20' ' ' ASN . 86.3 p -61.97 -21.72 65.05 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.168 -0.332 . . . . 73.25 111.561 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -85.03 11.43 9.58 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.071 0.397 . . . . 74.23 112.071 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -82.41 162.25 22.21 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.362 0.601 . . . . 71.11 112.401 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.77 29.6 0.89 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.801 -0.636 . . . . 71.43 111.518 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 t -138.21 149.03 45.41 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.952 0.406 . . . . 63.44 111.418 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -80.61 123.01 27.79 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.33 -0.396 . . . . 74.13 111.344 -175.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.524 ' HA ' HG22 ' A' ' 51' ' ' ILE . 72.5 mt -68.61 104.48 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.819 0.342 . . . . 55.42 111.496 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -31.18 22.04 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.845 0.355 . . . . 74.31 110.776 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.634 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 34.5 m -156.93 133.38 9.93 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.491 -0.322 . . . . 43.2 111.688 175.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.699 HD11 ' SG ' ' A' ' 47' ' ' CYS . 9.8 tp -135.53 130.05 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 110.177 -0.305 . . . . 74.11 110.177 172.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.7 t -136.0 104.75 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 120.971 0.415 . . . . 73.33 111.18 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.641 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.8 tt -113.92 133.03 55.71 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.59 -0.277 . . . . 72.21 110.474 178.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -142.29 138.53 31.41 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.795 0.331 . . . . 71.22 110.976 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -101.54 118.6 37.29 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.086 0.469 . . . . 61.41 111.591 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.09 157.85 43.74 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.2 -0.455 . . . . 61.23 110.604 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 64.23 13.36 7.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.918 0.487 . . . . 44.02 112.119 -177.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.83 11.11 77.63 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.995 -0.622 . . . . 55.52 112.466 -174.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -131.95 173.0 15.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.297 -0.631 . . . . 70.45 109.297 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.495 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 40.3 p90 -131.02 146.94 52.56 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.72 -0.612 . . . . 75.14 111.166 173.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.3 t -121.33 104.74 9.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.15 0.5 . . . . 75.23 110.914 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.699 ' SG ' HD11 ' A' ' 36' ' ' ILE . 46.2 t -90.83 114.39 26.79 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.093 -0.503 . . . . 53.11 111.189 178.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.421 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.5 m-20 -100.34 105.42 16.94 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.777 0.323 . . . . 65.41 111.069 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 26' ' ' ILE . 53.2 tp -98.24 135.7 39.49 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.012 0.434 . . . . 70.15 111.873 -178.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.588 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 57.0 mmm -129.9 110.92 12.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 116.25 -0.432 . . . . 71.33 110.923 177.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -141.87 159.48 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 116.179 -0.464 . . . . 73.22 111.732 -177.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -92.7 130.97 38.16 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.085 0.469 . . . . 43.24 111.39 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 22.4 m -120.68 158.56 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.212 0.53 . . . . 63.21 111.578 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.531 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 17.0 ptmt -88.13 -7.83 56.34 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.138 -0.483 . . . . 73.23 112.224 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.531 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 8.8 p30 -177.82 173.07 1.62 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.873 0.469 . . . . 74.42 111.076 175.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.0 p -69.76 -39.81 76.47 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.525 0.565 . . . . 71.31 112.525 -176.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.16 -35.37 80.56 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.803 0.811 . . . . 63.44 110.076 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 19.4 tptp -57.93 -33.06 68.4 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.14 -0.937 . . . . 73.52 111.023 173.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.479 HD13 ' HB1' ' A' ' 6' ' ' ALA . 58.9 tp -77.42 -47.99 18.35 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.08 -0.509 . . . . 75.44 111.474 176.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.0 p -60.67 -28.39 68.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.948 0.404 . . . . 73.41 111.771 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.7 m -61.78 -41.58 97.9 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.021 0.438 . . . . 74.32 110.951 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.4 -36.53 82.61 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.389 -0.369 . . . . 74.5 110.895 177.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 59.6 mtt -57.11 -48.23 79.15 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.011 0.434 . . . . 61.41 110.694 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -58.98 -45.66 90.03 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.816 -0.629 . . . . 64.13 111.314 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -55.89 -46.64 78.3 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.03 -0.532 . . . . 62.1 111.651 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.577 HD13 HD11 ' A' ' 10' ' ' ILE . 41.6 mt -72.3 -28.29 63.0 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.267 0.556 . . . . 64.33 111.495 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -74.83 -7.42 53.37 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.85 -0.613 . . . . 75.13 112.076 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -71.62 -17.13 62.29 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.092 -0.38 . . . . 71.05 111.945 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 71' ' ' GLY . 59.9 t -84.09 119.68 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.828 0.347 . . . . 70.4 111.611 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -56.64 -32.13 65.04 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.029 0.381 . . . . 71.35 112.029 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.411 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -71.01 -18.54 76.44 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.365 -0.445 . . . . 71.24 114.116 -177.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.75 120.78 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 117.226 0.513 . . . . 65.22 111.244 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -106.32 -5.85 18.78 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.535 0.569 . . . . 61.34 112.535 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.625 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 8.4 p -137.51 120.65 16.73 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.018 0.437 . . . . 74.32 111.75 174.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.3 t -127.75 103.96 11.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.293 -0.632 . . . . 72.43 109.293 170.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -130.12 167.18 18.75 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.048 0.451 . . . . 71.22 112.111 -172.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -94.87 139.79 30.83 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.278 0.561 . . . . 72.42 111.518 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 9' ' ' ARG . 94.7 mt -89.04 102.05 14.7 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.929 -0.578 . . . . 74.33 110.131 171.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.1 p -77.95 -63.43 1.39 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.57 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.67 102.94 5.55 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.11 0.481 . . . . 74.13 111.129 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.6 mt -92.33 150.61 20.74 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.149 0.5 . . . . 62.33 111.943 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -110.77 33.75 4.39 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.949 -0.568 . . . . 74.34 111.41 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -87.56 79.82 8.21 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.169 0.509 . . . . 75.42 111.763 -176.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -134.87 124.53 25.17 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.897 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -56.81 113.38 1.63 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 111.953 0.353 . . . . 63.55 111.953 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -69.17 78.67 0.35 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.271 0.557 . . . . 61.41 111.009 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -89.12 3.98 50.01 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.974 -0.557 . . . . 73.51 112.092 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.254 1.315 0 CA-C-O 118.651 -0.69 . . . . 63.31 111.137 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.7 tpp . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.774 0.321 . . . . 63.4 111.051 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 64.2 m -80.11 137.66 36.78 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.618 -0.265 . . . . 71.14 111.233 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.512 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 4.8 m-20 -67.18 119.96 12.96 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.905 0.383 . . . . 55.2 111.212 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -117.47 157.27 26.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 65.41 109.934 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.432 HD21 ' CE1' ' B' ' 83' ' ' HIS . 43.1 tp -75.53 102.59 5.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.053 0.454 . . . . 73.02 110.84 178.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -95.0 158.39 15.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.099 0.476 . . . . 62.11 111.306 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.37 153.52 21.99 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.977 -0.63 . . . . 73.32 112.741 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 57.9 mt -137.45 140.85 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 122.587 0.355 . . . . 71.24 110.646 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.552 ' HB2' HD21 ' B' ' 78' ' ' LEU . 66.0 ttt180 -118.2 123.26 45.05 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.942 0.401 . . . . 70.42 110.77 175.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.633 HD11 HD13 ' B' ' 66' ' ' LEU . 48.7 mt -113.14 116.42 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 116.045 -0.525 . . . . 75.33 110.847 -179.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.618 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 92.2 t -114.38 116.86 53.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.473 0.654 . . . . 75.42 110.882 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.05 167.91 25.52 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.632 -0.713 . . . . 44.32 112.935 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.23 121.43 12.54 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 121.35 0.595 . . . . 72.03 112.229 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -68.78 92.33 0.48 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.146 0.498 . . . . 64.33 111.747 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -112.25 168.49 9.58 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.918 0.866 . . . . 75.21 113.32 172.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.411 ' H ' ' ND2' ' B' ' 16' ' ' ASN . 6.6 p30 -75.47 41.19 0.18 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.34 -1.3 . . . . 75.34 112.892 -175.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.13 -27.71 0.06 OUTLIER Glycine 0 CA--C 1.525 0.68 0 CA-C-N 115.849 -0.614 . . . . 74.41 112.094 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.463 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 58.1 mmm -56.64 -50.86 70.8 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.291 0.478 . . . . 61.44 112.291 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 70.0 p -60.18 -31.99 70.64 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.904 0.383 . . . . 75.11 111.456 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.432 ' ND2' HG13 ' A' ' 33' ' ' ILE . 14.4 m120 -74.27 -48.2 30.16 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.16 0.505 . . . . 73.24 110.878 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.488 ' O ' HG23 ' B' ' 25' ' ' VAL . 9.7 pt20 -65.39 -36.05 82.81 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.086 -0.506 . . . . 51.3 111.621 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.412 HG13 ' HZ ' ' B' ' 45' ' ' PHE . 10.9 mm -62.53 -53.58 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 112.333 0.494 . . . . 62.14 112.333 -176.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 3.5 m -70.95 -27.41 63.72 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.39 -0.524 . . . . 72.01 110.261 178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.422 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -59.18 -48.26 86.8 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-N 116.142 -0.481 . . . . 74.24 112.562 173.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 21' ' ' GLN . 94.5 t -59.57 -38.16 74.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 122.464 -0.433 . . . . 72.4 110.993 175.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.431 HG21 HD13 ' B' ' 49' ' ' LEU . 72.0 mt -60.02 -41.58 86.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 116.279 -0.419 . . . . 75.23 112.003 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 52.3 p -65.21 -20.86 66.63 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.992 0.425 . . . . 75.22 111.334 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 28.0 mtpp -76.84 -8.24 56.96 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.186 0.439 . . . . 74.35 112.186 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 22.8 m-30 -68.92 179.26 1.88 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.517 0.675 . . . . 71.21 112.187 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -109.1 5.07 23.7 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.781 -0.645 . . . . 74.22 112.158 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 7.0 t -106.73 166.88 10.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.593 0.59 . . . . 53.2 112.593 -174.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -94.85 122.18 37.21 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.928 -0.578 . . . . 63.22 111.947 -176.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 20' ' ' ASN . 60.4 mt -76.14 126.6 37.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.092 -0.504 . . . . 74.0 111.847 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' B' ' 34' ' ' ARG . 35.1 mmt180 -105.1 -28.93 10.72 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.041 0.448 . . . . 74.5 111.018 174.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.53 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 95.5 m -156.92 132.87 9.57 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.143 -0.48 . . . . 73.42 111.425 176.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.641 HG22 ' HB3' ' A' ' 38' ' ' LEU . 10.6 tp -131.94 132.48 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 120.917 0.389 . . . . 43.13 110.378 172.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 97.8 t -126.29 141.06 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.255 -0.43 . . . . 63.21 110.663 178.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.634 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.0 tt -145.09 116.61 8.08 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.576 -0.527 . . . . 70.12 109.576 171.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' B' ' 39' ' ' ASN . 3.6 p-10 -135.76 127.22 28.62 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.088 0.47 . . . . 75.31 111.542 178.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.551 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -102.78 133.92 47.03 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.212 0.53 . . . . 52.44 112.165 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -151.56 147.4 26.75 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.729 -0.668 . . . . 74.33 110.453 176.477 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.4 t70 64.1 20.34 12.15 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.164 0.507 . . . . 63.32 111.914 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.79 6.76 82.32 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.841 -0.695 . . . . 33.22 113.067 -178.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mt -125.43 161.7 29.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 109.69 -0.485 . . . . 71.12 109.69 177.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.551 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 36.7 p90 -131.56 145.61 51.81 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.981 -0.449 . . . . 73.54 111.23 177.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 3.3 t -120.19 108.17 13.9 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.084 0.469 . . . . 63.11 111.446 176.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' B' ' 37' ' ' VAL . 48.4 t -96.58 116.46 29.14 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.41 -0.359 . . . . 63.3 111.313 177.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.407 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 2.5 m-20 -104.8 113.3 26.81 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.973 0.416 . . . . 73.33 111.205 -177.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.431 HD13 HG21 ' B' ' 26' ' ' ILE . 58.4 tp -98.3 134.21 41.63 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.228 -0.442 . . . . 62.24 111.844 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.49 ' HE3' ' HB3' ' B' ' 50' ' ' MET . 67.6 mmm -124.03 110.55 14.9 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.812 0.339 . . . . 41.44 111.121 176.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.4 pp -142.31 158.82 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-O 121.093 0.473 . . . . 72.2 111.993 -176.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -92.36 135.8 33.73 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 111.837 0.31 . . . . 75.44 111.837 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.512 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 3.6 m -136.61 146.79 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-O 120.723 0.297 . . . . 72.53 111.161 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -73.18 -17.84 61.33 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.578 0.584 . . . . 64.43 112.578 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.3 155.56 7.89 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.212 0.449 . . . . 74.25 112.212 -178.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -58.6 -25.03 62.21 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.851 0.686 . . . . 72.04 112.851 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.21 -41.0 92.11 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.755 0.788 . . . . 72.23 110.639 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -61.74 -38.94 89.8 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.995 -1.002 . . . . 71.23 111.123 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' B' ' 77' ' ' ARG . 57.0 tp -68.4 -45.24 73.22 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.059 -0.519 . . . . 74.23 111.583 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 71.9 p -65.41 -34.04 77.36 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.011 0.434 . . . . 74.12 111.682 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 85.2 m -62.56 -40.5 97.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.309 -0.405 . . . . 54.44 111.388 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.42 -38.85 92.74 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.608 -0.269 . . . . 70.23 111.676 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.476 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 57.9 mtt -51.25 -52.66 42.73 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.028 0.442 . . . . 70.21 110.714 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.532 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 27.3 t70 -54.35 -52.97 59.91 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.663 -0.698 . . . . 74.1 111.103 178.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -50.26 -39.16 44.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.108 0.48 . . . . 74.24 111.836 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.633 HD13 HD11 ' B' ' 10' ' ' ILE . 59.9 mt -79.6 -26.61 41.2 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.143 -0.48 . . . . 64.42 111.766 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.8 mtt180 -75.62 -11.03 59.93 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.45 -0.341 . . . . 73.14 111.755 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 13.1 mmmm -75.37 2.71 10.64 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.838 0.351 . . . . 75.21 111.905 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.401 HG12 ' H ' ' B' ' 71' ' ' GLY . 47.3 t -97.17 125.59 50.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 CA-C-O 120.776 0.322 . . . . 74.54 111.36 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -56.96 -30.5 64.11 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 112.894 0.701 . . . . 74.1 112.894 -175.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.401 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -86.48 -10.08 74.34 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.953 -0.641 . . . . 71.22 114.323 -174.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 60.9 t -97.22 135.82 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 117.614 0.707 . . . . 60.41 111.466 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -121.8 -10.26 8.73 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.484 0.55 . . . . 65.31 112.484 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.618 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.3 p -135.31 122.7 21.85 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.03 0.443 . . . . 54.4 111.471 175.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.404 ' HB ' ' HE ' ' B' ' 67' ' ' ARG . 44.1 t -135.82 104.19 4.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 116.277 -0.419 . . . . 74.44 110.034 171.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -123.73 168.93 12.04 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.5 -0.318 . . . . 71.44 111.121 -177.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.419 ' HB2' HD21 ' B' ' 59' ' ' LEU . 13.3 ptt180 -98.81 136.43 38.85 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.425 0.631 . . . . 74.21 110.992 176.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' B' ' 9' ' ' ARG . 94.9 mt -79.59 91.64 5.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.929 -0.578 . . . . 72.5 110.619 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -72.14 -58.54 3.34 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.046 -0.524 . . . . 71.03 111.329 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.27 103.25 6.2 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.931 0.396 . . . . 74.24 110.763 178.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -102.85 147.45 26.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.248 0.547 . . . . 63.44 111.975 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.633 ' HG3' ' H ' ' B' ' 83' ' ' HIS . 5.9 pt-20 -91.58 -95.28 0.13 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.962 -0.563 . . . . 71.53 109.946 171.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.633 ' H ' ' HG3' ' B' ' 82' ' ' GLU . 49.3 m-70 67.77 -22.74 0.12 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.139 0.792 . . . . 71.04 113.139 175.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . 0.43 ' H ' ' C ' ' B' ' 82' ' ' GLU . 51.0 t60 -80.28 123.36 27.9 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.105 -0.702 . . . . 73.44 109.105 172.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -49.76 -31.22 11.0 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.814 1.042 . . . . 73.22 113.814 -170.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -69.6 84.58 0.44 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 121.066 0.46 . . . . 75.31 111.016 175.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -160.04 142.39 13.27 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.222 -0.445 . . . . 65.54 111.908 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 30.0 m80 . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.497 -0.763 . . . . 74.24 110.888 170.804 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.138 0.494 . . . . 61.34 111.386 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 t -154.72 -36.06 0.09 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.806 -0.634 . . . . 73.43 110.575 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.535 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 24.2 t70 -171.65 112.4 0.33 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.422 -0.808 . . . . 74.11 109.093 173.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 6' ' ' ALA . 51.0 p90 -128.34 154.51 45.88 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.984 0.421 . . . . 55.03 110.976 -175.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 50' ' ' MET . 51.0 tp -78.94 102.73 8.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.282 0.563 . . . . 62.45 110.977 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.507 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -93.65 150.02 20.75 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.945 -0.571 . . . . 71.31 111.702 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.28 143.61 14.46 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.018 -0.61 . . . . 51.22 113.622 -178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.1 mt -132.72 144.8 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 122.886 0.474 . . . . 61.22 110.043 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.537 ' HB2' HD21 ' A' ' 78' ' ' LEU . 62.9 ttt180 -121.89 133.39 54.86 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.659 -0.651 . . . . 75.31 111.3 175.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.481 ' HB ' ' HB3' ' A' ' 47' ' ' CYS . 19.8 mt -121.3 117.36 52.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 115.931 -0.577 . . . . 73.32 110.881 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.572 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 52.3 t -122.01 118.63 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 121.513 0.673 . . . . 74.02 111.227 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.42 158.88 27.79 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 115.46 -0.791 . . . . 41.44 112.779 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.04 128.08 35.4 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.078 0.466 . . . . 74.31 111.314 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.42 109.68 7.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.823 0.344 . . . . 65.41 111.174 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' A' ' 18' ' ' MET . 20.5 ptmt -149.24 128.77 13.09 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.36 0.504 . . . . 74.32 112.36 -176.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 56.33 26.49 10.65 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.889 1.07 . . . . 65.22 113.889 172.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.623 ' HA2' HD22 ' B' ' 32' ' ' ASN . . . 86.83 37.68 8.42 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 120.826 -0.702 . . . . 75.2 113.799 177.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.582 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 35.0 mtp -66.22 -42.13 89.13 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.359 0.503 . . . . 63.33 112.359 178.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.4 p -50.65 -29.76 11.84 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.906 0.384 . . . . 63.34 111.936 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.47 ' ND2' HG13 ' B' ' 33' ' ' ILE . 14.8 m120 -72.89 -48.15 39.77 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.084 0.469 . . . . 74.24 111.034 178.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 18' ' ' MET . 1.7 pt20 -66.06 -38.31 88.0 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.983 -0.553 . . . . 74.22 111.16 -177.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.531 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 22.3 mm -62.27 -53.76 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 112.43 0.53 . . . . 72.44 112.43 -175.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 m -72.09 -26.79 62.29 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.431 -0.508 . . . . 52.32 110.502 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.68 -45.81 95.07 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 120.88 -0.676 . . . . 62.2 112.147 172.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.538 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 89.4 t -62.35 -35.63 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-O 120.647 0.26 . . . . 74.23 111.476 176.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.572 HD12 HD22 ' A' ' 49' ' ' LEU . 48.7 mm -51.52 -43.11 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-O 121.284 0.564 . . . . 55.44 111.329 176.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 m -59.0 -32.62 69.87 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.945 -0.57 . . . . 73.3 111.518 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 25' ' ' VAL . 37.6 mtmt -86.58 18.29 3.42 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.974 -0.557 . . . . 73.52 112.361 -171.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 21.6 m-30 -90.05 -5.78 56.23 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 111.975 0.361 . . . . 74.34 111.975 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 67.86 1.97 2.9 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.521 0.563 . . . . 73.02 112.521 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 t -101.58 147.48 26.36 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 122.239 -0.288 . . . . 72.42 111.037 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -72.5 120.54 18.26 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.065 0.46 . . . . 73.23 111.55 -175.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.528 ' HA ' HG22 ' A' ' 51' ' ' ILE . 79.1 mt -72.35 101.07 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 116.158 -0.474 . . . . 71.32 111.459 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' HD3' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -82.21 -33.57 29.3 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.911 0.386 . . . . 64.54 110.472 178.609 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.619 ' HA ' ' O ' ' B' ' 38' ' ' LEU . 46.2 m -155.25 132.62 11.05 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.743 0.306 . . . . 72.01 111.753 176.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.704 HD11 ' SG ' ' A' ' 47' ' ' CYS . 9.8 tp -140.45 131.55 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 110.232 -0.285 . . . . 75.33 110.232 174.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.88 104.84 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 120.932 0.396 . . . . 74.14 111.785 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.661 ' HB3' HG22 ' B' ' 36' ' ' ILE . 8.0 tt -113.51 127.15 55.99 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 122.304 -0.248 . . . . 63.23 110.35 176.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -138.81 131.88 29.69 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.801 0.334 . . . . 75.33 110.97 173.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -97.79 104.56 16.6 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.25 0.548 . . . . 70.53 111.559 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' O ' ' HE3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -128.8 152.81 48.06 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.918 -0.583 . . . . 73.0 110.372 178.039 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 66.6 8.71 6.05 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.537 0.335 . . . . 74.34 111.502 -176.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.77 75.58 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 121.257 -0.497 . . . . 62.41 112.674 -173.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.7 mt -125.64 153.85 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 123.16 0.584 . . . . 73.32 110.241 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.544 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 39.8 p90 -113.84 147.1 38.98 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.63 -0.669 . . . . 75.03 111.489 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 t -122.66 100.33 6.86 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.202 0.525 . . . . 62.44 110.96 173.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.704 ' SG ' HD11 ' A' ' 36' ' ' ILE . 48.6 t -94.34 113.59 25.5 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.042 -0.526 . . . . 51.24 111.402 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.433 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.3 m-20 -100.89 112.06 24.41 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 120.769 0.319 . . . . 75.53 111.21 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.572 HD22 HD12 ' A' ' 26' ' ' ILE . 51.1 tp -98.74 134.28 41.87 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.224 -0.443 . . . . 60.45 112.147 -178.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.594 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 58.6 mmm -131.98 112.04 12.05 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.229 -0.442 . . . . 71.4 110.766 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.528 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.5 pp -141.69 159.71 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 116.362 -0.381 . . . . 71.14 111.647 -176.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -92.72 145.82 24.12 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.026 0.441 . . . . 74.44 111.724 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 13.6 m -146.83 153.22 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 116.31 -0.404 . . . . 73.14 111.118 -177.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.448 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -91.24 -9.28 45.82 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.003 0.371 . . . . 60.22 112.003 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -160.78 160.45 31.25 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.039 0.447 . . . . 74.52 111.737 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.9 p -72.36 -23.95 61.21 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 112.133 0.419 . . . . 72.51 112.133 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.83 -40.28 96.24 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.914 0.864 . . . . 75.35 109.837 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -59.49 -43.12 93.38 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.675 -1.148 . . . . 72.12 111.356 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.507 HD13 ' HB1' ' A' ' 6' ' ' ALA . 50.4 tp -65.28 -48.04 74.57 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.384 -0.371 . . . . 73.34 111.811 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.7 p -64.67 -28.35 69.55 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.864 0.364 . . . . 55.51 111.66 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.2 m -61.44 -42.41 98.72 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.154 0.502 . . . . 75.33 111.413 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.403 HD13 ' CD2' ' A' ' 29' ' ' PHE . 13.4 mt -64.65 -37.74 88.6 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.223 -0.444 . . . . 74.11 111.091 -178.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.487 ' HE3' ' HG ' ' A' ' 59' ' ' LEU . 51.8 mtt -56.74 -49.38 75.38 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.222 0.534 . . . . 75.12 110.805 176.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.412 ' O ' ' HE2' ' A' ' 68' ' ' LYS . 10.7 t70 -58.37 -44.92 89.05 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.576 -0.738 . . . . 43.12 110.728 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -58.21 -40.79 82.54 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.931 0.396 . . . . 73.31 111.827 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.465 HD13 HD11 ' A' ' 10' ' ' ILE . 44.7 mt -76.04 -31.92 59.08 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.064 0.459 . . . . 74.24 112.178 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -71.35 -7.76 49.26 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 112.648 0.61 . . . . 73.52 112.648 -174.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' HE2' ' O ' ' A' ' 64' ' ' ASP . 70.9 mmtt -72.68 -18.85 61.51 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.168 0.433 . . . . 72.34 112.168 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.1 t -77.06 121.27 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 112.209 0.448 . . . . 73.12 112.209 -173.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 71' ' ' GLY . 6.7 pt20 -54.62 -34.45 62.11 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.855 0.687 . . . . 73.22 112.855 -177.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.566 ' HA3' ' SD ' ' A' ' 18' ' ' MET . . . -75.94 -22.25 74.66 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.146 -0.55 . . . . 75.15 113.816 -176.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.2 t -88.94 133.12 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 117.12 0.46 . . . . 65.52 111.396 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.62 -8.61 10.9 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.373 0.509 . . . . 73.23 112.373 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.572 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 6.2 p -133.64 118.74 18.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.173 0.511 . . . . 73.41 111.492 175.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.4 t -134.69 102.52 4.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.681 -0.488 . . . . 74.04 109.681 171.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -137.68 173.7 11.37 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.255 0.55 . . . . 71.45 111.873 -173.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -87.47 148.07 25.11 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.846 -0.616 . . . . 72.23 111.523 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' A' ' 9' ' ' ARG . 94.5 mt -96.77 104.97 17.01 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.288 -0.414 . . . . 71.33 110.697 174.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.6 p -80.19 -60.0 2.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.906 0.384 . . . . 51.03 111.598 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -76.37 104.1 6.71 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.274 0.559 . . . . 71.04 110.956 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 83' ' ' HIS . 66.4 mt -100.57 132.66 45.84 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.12 -0.491 . . . . 64.01 111.81 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -94.25 27.26 2.96 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.527 0.679 . . . . 73.22 110.888 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.414 ' HD2' ' HB3' ' A' ' 81' ' ' LEU . 35.3 m-70 -81.51 69.57 8.19 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.27 0.557 . . . . 64.23 111.895 -174.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -60.63 133.15 55.81 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.47 -0.786 . . . . 62.14 111.708 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -109.63 121.29 44.89 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.465 0.543 . . . . 74.14 112.465 -174.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -168.53 122.59 0.88 Allowed 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.023 0.44 . . . . 75.5 111.027 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -108.8 131.66 54.75 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.403 -0.362 . . . . 71.22 111.141 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.695 -0.669 . . . . 70.44 111.491 178.844 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' B' ' 1' ' ' MET . 3.0 mpp? . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.696 0.284 . . . . 64.11 111.216 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 11.5 t -175.18 -176.9 0.98 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.81 0.444 . . . . 64.42 110.377 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -154.75 145.89 22.79 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.078 0.466 . . . . 65.33 112.008 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -149.86 148.86 29.66 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.114 -0.493 . . . . 72.12 110.104 168.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 49.1 tp -77.36 102.14 6.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.257 0.551 . . . . 70.44 110.927 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.526 ' HB1' HD22 ' B' ' 59' ' ' LEU . . . -94.65 138.07 32.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.907 -0.588 . . . . 73.34 111.227 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.484 ' HA3' ' HB2' ' B' ' 78' ' ' LEU . . . -114.24 143.08 17.88 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 121.034 -0.603 . . . . 62.45 113.518 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.578 HD12 HD23 ' B' ' 49' ' ' LEU . 41.1 mt -128.45 145.21 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.815 -0.439 . . . . 74.01 109.815 175.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.494 ' HB2' HD21 ' B' ' 78' ' ' LEU . 35.9 ttt180 -121.95 124.98 45.33 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.997 -0.439 . . . . 70.12 110.81 175.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.524 HD11 HD13 ' B' ' 66' ' ' LEU . 42.2 mt -113.3 117.25 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.535 . . . . 74.42 110.709 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.565 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 59.4 t -120.53 112.62 37.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 CA-C-O 121.342 0.592 . . . . 71.14 110.816 177.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.09 168.04 24.71 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.412 -0.813 . . . . 74.31 112.878 -177.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.441 ' HG3' ' HG2' ' B' ' 15' ' ' LYS . 14.6 pt-20 -76.44 143.64 40.43 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.24 0.459 . . . . 74.43 112.24 -176.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.69 94.11 0.06 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.268 0.47 . . . . 74.22 112.268 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.483 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 3.5 mmmp? -107.63 145.87 32.74 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.68 -0.236 . . . . 72.04 111.214 172.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 4.37 -65.36 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 O-C-N 124.764 1.29 . . . . 75.34 114.365 164.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.15 31.91 1.92 Allowed Glycine 0 CA--C 1.528 0.859 0 CA-C-N 115.732 -0.667 . . . . 70.31 113.529 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.483 ' HG2' ' HB2' ' B' ' 15' ' ' LYS . 20.3 mmm -66.16 -48.3 71.2 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 122.493 -0.416 . . . . 65.02 111.961 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 67.7 p -59.23 -30.99 68.65 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.139 0.495 . . . . 71.13 111.502 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.41 ' ND2' HG13 ' A' ' 33' ' ' ILE . 14.0 m120 -76.24 -48.41 20.4 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.061 -0.518 . . . . 70.04 110.949 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.486 ' O ' HG23 ' B' ' 25' ' ' VAL . 9.6 pt20 -67.0 -39.74 87.18 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.305 -0.407 . . . . 73.21 111.678 -177.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.414 ' O ' HG13 ' B' ' 26' ' ' ILE . 10.5 mm -56.36 -54.33 29.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 112.007 0.373 . . . . 75.1 112.007 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 15.6 m -74.67 -28.59 60.9 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.093 0.473 . . . . 71.52 110.76 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.17 95.54 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-N 116.083 -0.508 . . . . 75.22 112.633 173.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 21' ' ' GLN . 91.9 t -71.61 -36.88 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 120.91 0.386 . . . . 64.31 110.836 175.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.466 HG21 HD13 ' B' ' 49' ' ' LEU . 71.2 mt -56.66 -40.18 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 120.806 0.336 . . . . 73.41 111.753 176.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 61.9 p -62.24 -21.74 65.41 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 120.764 0.316 . . . . 62.32 111.326 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -80.52 -1.55 42.3 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 111.882 0.327 . . . . 51.44 111.882 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -73.2 154.18 40.37 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.563 0.697 . . . . 73.04 112.332 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.32 10.51 2.45 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 115.363 -0.835 . . . . 65.04 111.948 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.8 t -125.79 162.62 24.69 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 112.531 0.567 . . . . 73.31 112.531 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.623 HD22 ' HA2' ' A' ' 17' ' ' GLY . 25.4 t-20 -87.38 132.12 34.07 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.0 -0.545 . . . . 74.04 111.505 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.47 HG13 ' ND2' ' A' ' 20' ' ' ASN . 64.8 mt -78.01 100.3 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.315 -0.402 . . . . 73.45 110.778 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' B' ' 34' ' ' ARG . 0.5 OUTLIER -77.51 -32.81 54.39 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.113 0.483 . . . . 64.13 111.1 -177.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 72.0 m -156.1 133.28 10.68 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.926 -0.579 . . . . 72.12 110.861 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.74 HD11 ' SG ' ' B' ' 47' ' ' CYS . 10.7 tp -134.15 130.12 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 120.993 0.425 . . . . 73.15 110.588 175.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' B' ' 47' ' ' CYS . 85.7 t -126.15 138.68 53.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 CA-C-N 116.437 -0.347 . . . . 70.31 110.254 177.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.619 ' O ' ' HA ' ' A' ' 35' ' ' THR . 7.7 tt -144.1 116.31 8.45 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.866 -0.42 . . . . 71.51 109.866 175.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.426 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 2.5 p-10 -134.9 109.64 8.63 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.221 0.534 . . . . 63.2 111.564 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -92.24 130.82 37.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.355 0.598 . . . . 65.13 112.493 -177.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.532 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -154.43 157.92 39.19 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.614 -0.721 . . . . 73.35 110.118 175.532 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 63.54 11.6 5.79 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 112.348 0.499 . . . . 71.11 112.348 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.53 11.36 60.87 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 121.124 -0.56 . . . . 72.34 112.86 -177.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.8 mt -136.0 158.26 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 122.922 0.489 . . . . 62.02 110.598 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.512 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 43.2 p90 -129.38 140.07 51.48 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 122.052 -0.405 . . . . 74.01 111.517 177.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.406 HG23 ' OD1' ' B' ' 39' ' ' ASN . 1.7 t -112.09 102.26 10.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.095 0.474 . . . . 73.44 111.755 175.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.74 ' SG ' HD11 ' B' ' 36' ' ' ILE . 51.8 t -91.06 113.41 25.66 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.235 -0.438 . . . . 72.02 111.632 177.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -94.88 110.9 22.73 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.546 0.338 . . . . 74.43 111.065 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.578 HD23 HD12 ' B' ' 8' ' ' ILE . 55.1 tp -98.22 131.58 44.45 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.109 0.481 . . . . 72.01 112.013 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.728 ' SD ' ' NE2' ' B' ' 83' ' ' HIS . 0.1 OUTLIER -126.19 111.02 14.12 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.171 -0.468 . . . . 62.32 110.976 176.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.6 pp -139.53 159.69 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 N-CA-C 112.219 0.451 . . . . 75.14 112.219 -175.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -97.67 130.94 44.63 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.127 0.489 . . . . 60.41 111.789 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.77 155.96 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-O 120.954 0.407 . . . . 74.21 111.609 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.506 ' NZ ' ' HB2' ' B' ' 54' ' ' LYS . 10.2 mtmp? -88.64 -12.97 40.99 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.264 -0.426 . . . . 74.41 111.868 177.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -164.31 166.59 20.7 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.903 0.382 . . . . 65.44 111.529 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 66.2 p -72.5 -35.8 68.23 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.689 0.626 . . . . 63.41 112.689 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.41 -32.37 73.79 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.641 0.734 . . . . 71.22 110.538 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -59.04 -44.44 91.76 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.284 -0.871 . . . . 73.15 110.981 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.526 HD22 ' HB1' ' B' ' 6' ' ' ALA . 64.0 tp -67.24 -47.33 71.11 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.287 -0.415 . . . . 71.43 111.579 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 75.4 p -60.1 -36.95 78.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.606 -0.27 . . . . 53.41 111.486 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 82.1 m -63.1 -42.27 99.55 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.443 -0.344 . . . . 54.42 111.069 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 50.5 mt -59.88 -47.99 83.51 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.937 0.398 . . . . 71.1 111.199 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.573 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 71.7 mtm -59.8 -39.89 86.51 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.747 0.308 . . . . 62.44 110.953 176.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.15 -38.2 85.57 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.077 0.465 . . . . 71.44 111.012 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -62.28 -42.82 99.68 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.321 0.581 . . . . 65.41 111.029 174.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.524 HD13 HD11 ' B' ' 10' ' ' ILE . 65.3 mt -71.26 -26.85 63.07 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.992 -0.549 . . . . 71.2 111.742 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' B' ' 63' ' ' MET . 99.5 mtt180 -68.44 -9.02 45.78 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 111.983 0.364 . . . . 74.22 111.983 177.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -76.78 -9.67 58.84 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.722 0.638 . . . . 71.24 112.722 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.479 HG12 ' H ' ' B' ' 71' ' ' GLY . 41.8 t -92.46 125.49 45.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-O 121.491 0.662 . . . . 65.13 112.548 -174.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -58.43 -30.84 67.2 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.379 -0.828 . . . . 63.13 112.749 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.479 ' H ' HG12 ' B' ' 69' ' ' VAL . . . -79.18 -11.94 84.53 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.254 -0.498 . . . . 73.11 114.186 -176.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.54 134.27 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 117.537 0.668 . . . . 70.13 111.942 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.29 -19.37 10.21 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.282 -0.417 . . . . 75.32 112.072 176.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.565 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 0.7 OUTLIER -124.13 118.38 26.77 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.946 -0.471 . . . . 74.4 111.655 176.077 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 39.6 t -128.28 110.27 21.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 109.053 -0.721 . . . . 73.34 109.053 170.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -137.71 160.93 37.88 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.745 0.646 . . . . 71.23 112.745 -173.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.44 ' HG3' HD21 ' B' ' 59' ' ' LEU . 76.1 ttt-85 -88.7 122.76 32.46 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.783 -0.644 . . . . 72.35 111.457 177.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.494 HD21 ' HB2' ' B' ' 9' ' ' ARG . 94.7 mt -70.45 99.55 1.62 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.939 0.399 . . . . 75.23 110.957 176.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 69.0 p -73.58 -58.27 3.42 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.133 0.492 . . . . 55.52 111.677 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -83.86 120.95 26.68 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 116.322 -0.399 . . . . 71.44 111.078 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 48.4 mt -111.34 152.42 27.29 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.484 0.659 . . . . 42.33 112.053 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -89.73 19.86 4.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.623 -0.717 . . . . 65.14 110.583 172.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.728 ' NE2' ' SD ' ' B' ' 50' ' ' MET . 42.8 m-70 -99.11 -62.69 1.2 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.935 0.717 . . . . 75.02 112.935 -172.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -70.14 7.81 0.9 Allowed 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 112.801 0.667 . . . . 71.43 112.801 -168.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -95.84 11.18 34.6 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.242 0.544 . . . . 65.41 110.31 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -66.96 83.6 0.11 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.71 -0.677 . . . . 73.34 112.395 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -103.3 2.28 33.95 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.354 0.597 . . . . 65.14 110.58 173.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.528 -0.76 . . . . 74.41 110.745 178.702 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtt . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.037 0.446 . . . . 63.13 111.704 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 m -117.07 9.34 13.59 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.427 0.632 . . . . 75.52 110.186 173.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.46 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 5.2 m-20 -61.96 121.41 12.9 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.862 -0.608 . . . . 64.01 111.191 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -111.9 155.16 24.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.982 0.42 . . . . 60.23 109.975 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.0 tp -77.68 104.34 8.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.43 0.633 . . . . 74.11 110.808 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.609 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -93.09 136.85 32.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.728 -0.669 . . . . 74.22 111.542 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.69 138.43 14.81 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 121.276 -0.487 . . . . 63.32 113.189 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.8 mt -128.61 150.35 34.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 122.746 0.419 . . . . 65.22 110.359 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -128.77 130.33 46.88 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 120.894 0.378 . . . . 54.11 111.054 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.888 HD11 HD13 ' A' ' 66' ' ' LEU . 38.8 mt -120.41 117.36 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.999 -0.546 . . . . 44.35 110.981 -177.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.616 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 68.1 t -118.04 115.84 49.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.489 0.662 . . . . 74.25 111.058 174.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.0 162.93 27.09 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.59 -0.732 . . . . 73.15 112.59 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.38 139.21 47.72 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 121.12 0.486 . . . . 72.2 111.669 -177.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -76.03 108.23 8.79 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.266 -0.425 . . . . 74.15 111.893 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 17' ' ' GLY . 30.3 mtmm -134.92 127.13 30.05 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.299 -0.41 . . . . 73.4 111.248 175.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 53.96 -75.37 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.079 0.862 . . . . 74.42 113.162 167.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -149.04 30.09 1.22 Allowed Glycine 0 CA--C 1.525 0.678 0 CA-C-N 115.245 -0.889 . . . . 73.44 112.684 -175.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.462 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 59.0 mmm -57.5 -50.67 72.31 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.982 0.42 . . . . 71.22 111.647 177.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 66.8 p -56.7 -34.68 67.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 74.52 111.777 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -74.35 -45.88 44.33 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.05 0.452 . . . . 73.25 110.793 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.469 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.6 pt20 -67.54 -35.87 79.9 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.093 -0.503 . . . . 71.54 111.206 -176.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.473 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 12.1 mm -62.97 -53.57 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 111.998 0.369 . . . . 74.4 111.998 -178.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.432 ' HA ' HD12 ' A' ' 26' ' ' ILE . 10.1 m -72.02 -26.93 62.41 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.393 0.616 . . . . 50.11 110.152 177.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.37 -43.28 99.56 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 115.735 -0.666 . . . . 75.3 112.724 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 21' ' ' GLN . 75.2 t -66.31 -37.55 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-O 120.952 0.406 . . . . 75.02 110.795 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 23' ' ' THR . 74.0 mt -55.97 -43.31 74.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 121.008 0.432 . . . . 54.22 111.702 175.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.9 p -66.31 -21.13 66.25 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 120.794 0.331 . . . . 51.42 111.438 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 25' ' ' VAL . 57.8 mtpt -77.25 -3.9 42.13 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.268 0.47 . . . . 63.05 112.268 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -74.14 165.05 25.82 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.466 0.65 . . . . 74.23 111.945 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -78.57 -33.45 47.65 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.768 -0.651 . . . . 64.35 111.275 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -78.04 168.39 19.96 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.827 -0.624 . . . . 73.41 112.338 -176.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -104.18 136.46 43.75 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.109 0.48 . . . . 64.33 111.561 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' B' ' 20' ' ' ASN . 67.6 mt -65.5 131.89 31.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 CA-C-O 121.233 0.539 . . . . 72.25 111.434 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HG2' ' HA ' ' A' ' 51' ' ' ILE . 8.7 mmm180 -110.23 -34.12 6.46 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.347 0.594 . . . . 75.34 110.266 176.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 34.1 m -157.23 132.46 9.02 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.826 -0.625 . . . . 64.23 110.263 175.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.629 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.9 tp -134.73 128.88 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 121.028 0.442 . . . . 60.01 110.578 175.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.507 HG22 HG13 ' B' ' 37' ' ' VAL . 59.8 t -126.15 121.13 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-N 116.457 -0.338 . . . . 55.01 110.794 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.462 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.5 tt -134.48 128.27 33.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.041 -0.412 . . . . 74.22 110.787 178.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.58 HD22 ' N ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -152.2 130.98 12.42 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.459 -0.337 . . . . 75.43 110.929 174.139 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -100.69 116.68 33.16 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.096 0.474 . . . . 55.22 111.686 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.53 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -129.72 149.37 51.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.08 -0.509 . . . . 74.21 110.017 176.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 57.95 22.4 8.73 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 111.995 0.368 . . . . 73.32 111.995 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.89 6.61 82.21 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 121.258 -0.496 . . . . 75.22 113.843 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.8 mt -131.93 148.53 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 122.489 -0.418 . . . . 74.14 110.89 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.545 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 44.8 p90 -116.16 145.61 42.94 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.078 0.466 . . . . 73.53 111.475 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 t -119.26 102.25 8.57 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.998 -0.546 . . . . 63.14 110.84 174.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.629 ' SG ' HD11 ' A' ' 36' ' ' ILE . 42.5 t -95.53 113.61 25.28 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.098 -0.501 . . . . 72.15 111.687 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' O ' HD12 ' A' ' 36' ' ' ILE . 3.0 m-20 -97.94 112.39 24.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.56 0.344 . . . . 73.5 110.814 178.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.42 HD13 HG21 ' A' ' 26' ' ' ILE . 47.9 tp -99.01 131.86 44.75 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.032 0.444 . . . . 73.2 111.946 -178.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.476 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 70.1 mmm -126.26 113.7 17.31 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.884 0.373 . . . . 72.43 111.308 176.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.461 ' HA ' ' HG2' ' A' ' 34' ' ' ARG . 2.3 pp -140.33 169.08 16.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 116.191 -0.459 . . . . 62.42 111.12 -178.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.01 136.22 39.29 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.946 -0.471 . . . . 70.54 111.947 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.52 141.3 42.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 120.86 0.362 . . . . 72.24 110.938 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.561 ' H ' ' HD3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -73.65 -9.6 58.84 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.321 0.86 . . . . 74.33 113.321 179.516 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.89 154.18 12.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.138 0.422 . . . . 70.54 112.138 178.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.8 p -63.82 -23.6 67.42 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.528 0.566 . . . . 72.13 112.528 -175.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.36 -48.18 82.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.902 0.858 . . . . 73.23 109.611 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -57.71 -33.18 68.14 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.447 -1.251 . . . . 75.51 111.572 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.609 HD13 ' HB1' ' A' ' 6' ' ' ALA . 33.1 tp -70.3 -48.2 57.71 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.779 0.323 . . . . 75.21 111.618 178.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 63.4 p -61.81 -34.83 76.62 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.92 0.39 . . . . 74.02 111.385 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.8 m -57.76 -41.27 81.61 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.397 -0.365 . . . . 63.33 111.459 175.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.42 -35.13 79.92 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.447 -0.342 . . . . 54.45 111.696 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.9 mtt -54.66 -44.53 73.37 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.966 0.412 . . . . 74.03 110.986 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 32.2 t70 -60.84 -54.33 46.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.054 -0.521 . . . . 74.31 111.179 176.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -51.04 -36.97 42.59 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.715 -0.675 . . . . 63.43 111.968 -176.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.888 HD13 HD11 ' A' ' 10' ' ' ILE . 43.5 mt -83.76 -27.69 28.7 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.083 0.468 . . . . 73.14 111.524 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -79.82 -9.88 59.71 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 111.998 0.37 . . . . 74.12 111.998 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 31.5 mmmt -71.75 -5.51 34.57 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 122.089 -0.382 . . . . 75.53 111.974 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.92 121.31 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 120.717 0.294 . . . . 70.0 111.05 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -59.82 -28.82 67.8 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.546 0.573 . . . . 73.31 112.546 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.01 -14.88 78.6 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.166 -0.54 . . . . 53.54 114.08 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.0 t -96.54 141.08 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 117.246 0.523 . . . . 63.22 111.179 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -123.74 -3.59 8.22 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.803 0.668 . . . . 71.44 112.803 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.616 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 7.3 p -141.81 125.45 16.85 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.913 0.387 . . . . 75.43 111.156 174.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 t -141.2 101.91 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 N-CA-C 109.561 -0.533 . . . . 62.53 109.561 172.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -131.19 177.89 7.12 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 111.868 0.322 . . . . 73.25 111.868 -172.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 77' ' ' ARG . 34.5 ttt180 -92.85 147.27 22.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.164 0.507 . . . . 73.22 111.499 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -95.27 114.88 26.72 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.864 -0.607 . . . . 65.22 110.714 173.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.2 t -81.6 -48.67 11.47 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.974 0.416 . . . . 65.32 111.797 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -85.99 114.75 23.13 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.42 -0.354 . . . . 75.33 110.982 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.1 mt -108.23 124.74 50.75 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.803 0.811 . . . . 63.14 110.99 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.575 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -84.35 29.53 0.58 Allowed 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.885 -1.052 . . . . 60.5 111.141 -177.195 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -96.79 11.21 36.45 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.927 0.714 . . . . 65.01 112.927 -170.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -69.98 111.72 5.88 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 109.377 -0.601 . . . . 70.32 109.377 174.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -51.92 142.19 16.09 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.536 0.569 . . . . 74.41 112.536 -169.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -66.71 105.9 1.68 Allowed 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.285 0.846 . . . . 65.41 113.285 -171.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -72.37 -32.7 66.67 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.556 -0.905 . . . . 75.45 108.556 166.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.4 m80 . . . . . 0 C--O 1.254 1.328 0 CA-C-N 114.705 -1.134 . . . . 61.43 110.243 170.482 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 111.853 0.316 . . . . 75.12 111.853 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 28.5 m -69.05 -17.69 63.92 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.216 0.532 . . . . 71.34 111.024 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 0.7 OUTLIER -55.78 137.23 50.27 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.634 -0.712 . . . . 74.54 111.871 -177.065 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -140.46 156.97 46.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.792 0.329 . . . . 63.35 110.565 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 37.4 tp -76.78 108.17 9.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.823 0.344 . . . . 72.14 110.971 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.574 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -100.71 153.21 19.63 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.468 -0.333 . . . . 61.24 111.307 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.93 135.45 8.26 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 120.876 -0.678 . . . . 64.54 114.051 -176.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 57.9 mt -127.51 126.61 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 122.838 0.455 . . . . 64.11 110.287 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.519 ' HB2' HD21 ' B' ' 78' ' ' LEU . 34.1 ttm180 -101.91 118.54 37.14 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.107 0.48 . . . . 72.34 111.307 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.59 HD11 HD13 ' B' ' 66' ' ' LEU . 49.1 mt -104.92 118.0 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.868 -0.605 . . . . 75.34 111.204 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.589 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 77.1 t -119.19 114.26 44.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.411 0.624 . . . . 54.24 110.895 175.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.26 170.93 23.91 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 115.647 -0.706 . . . . 63.2 112.444 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -73.89 128.67 36.14 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.252 0.549 . . . . 71.03 112.054 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.88 100.67 2.47 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.281 0.562 . . . . 63.4 111.45 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -120.41 179.37 4.33 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.912 -0.586 . . . . 60.31 112.394 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -74.94 43.16 0.19 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.696 0.999 . . . . 73.12 113.696 -171.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.3 -23.02 0.18 Allowed Glycine 0 CA--C 1.527 0.824 0 C-N-CA 121.201 -0.523 . . . . 64.22 113.469 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.481 ' HA ' ' HG2' ' B' ' 21' ' ' GLN . 35.3 mmm -53.31 -50.74 64.3 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.223 0.823 . . . . 61.24 113.223 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 50.6 p -56.65 -37.8 71.29 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.086 0.469 . . . . 55.23 111.907 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.488 ' HA ' HD12 ' A' ' 33' ' ' ILE . 25.3 t-20 -71.74 -45.94 60.14 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.979 -0.555 . . . . 61.42 110.643 -178.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.485 ' O ' HG23 ' B' ' 25' ' ' VAL . 7.9 pt20 -67.57 -38.94 84.82 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.087 -0.506 . . . . 75.44 111.426 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.422 ' O ' HG13 ' B' ' 26' ' ' ILE . 17.6 mm -61.1 -54.84 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 112.166 0.432 . . . . 72.23 112.166 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 14.0 m -73.82 -27.78 61.28 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.125 0.488 . . . . 72.44 110.636 -177.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -62.68 -52.2 50.35 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 121.212 -0.518 . . . . 64.24 112.549 174.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 21' ' ' GLN . 95.7 t -59.04 -37.92 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-O 120.893 0.378 . . . . 72.35 111.524 177.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.491 HG21 HD13 ' B' ' 49' ' ' LEU . 73.0 mt -57.56 -45.95 86.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 116.256 -0.429 . . . . 53.51 111.947 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 51.4 p -62.52 -20.85 65.03 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.835 0.35 . . . . 41.32 111.216 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 45.8 mtpt -82.33 4.77 22.54 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.359 0.503 . . . . 71.24 112.359 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -73.2 162.64 29.17 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.434 0.635 . . . . 73.43 112.055 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.48 -29.99 70.22 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.704 -0.68 . . . . 64.13 111.034 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.2 t -89.0 168.36 12.42 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.385 -0.825 . . . . 75.1 112.95 -172.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -93.8 125.37 38.39 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.674 -0.694 . . . . 65.31 111.114 -178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.5 ' HA ' HG22 ' B' ' 51' ' ' ILE . 2.2 mp -72.65 100.28 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 121.377 0.608 . . . . 73.22 110.6 177.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.475 ' HD3' ' HB3' ' A' ' 40' ' ' ALA . 5.2 tpp180 -80.64 -29.65 36.7 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.207 0.527 . . . . 75.21 110.898 -178.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.554 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 33.7 m -156.04 142.69 18.69 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.974 -0.557 . . . . 73.25 110.555 176.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.555 ' HA ' ' O ' ' B' ' 48' ' ' ASN . 20.4 tt -158.86 129.74 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.018 0.437 . . . . 73.15 111.165 173.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.507 HG13 HG22 ' A' ' 37' ' ' VAL . 64.3 t -132.82 105.03 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 116.504 -0.316 . . . . 71.12 111.552 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.621 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.6 tt -103.28 115.66 30.99 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 110.153 -0.314 . . . . 72.45 110.153 176.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -133.74 137.6 45.3 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.803 0.335 . . . . 73.22 110.922 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -102.25 123.11 45.5 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.176 0.512 . . . . 73.41 111.435 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.471 ' HD3' ' H ' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -132.82 135.51 45.7 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.092 -0.504 . . . . 61.21 110.652 177.298 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 18.4 t70 65.72 13.22 8.83 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.013 -0.54 . . . . 73.11 112.03 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.62 -7.6 50.33 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 121.38 -0.438 . . . . 61.43 113.685 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.0 mt -117.87 148.76 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 O-C-N 122.444 -0.444 . . . . 52.14 110.638 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.538 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 33.4 p90 -115.01 140.92 48.66 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.092 0.472 . . . . 45.31 111.677 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.403 ' HB ' HG22 ' B' ' 11' ' ' VAL . 2.3 t -116.13 104.88 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.017 -0.538 . . . . 71.22 110.907 175.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.407 ' HB3' ' HB ' ' B' ' 10' ' ' ILE . 48.7 t -90.4 103.07 15.8 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.057 0.456 . . . . 75.05 110.843 176.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.555 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 2.9 m-20 -83.41 105.35 14.28 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.266 -0.424 . . . . 74.4 110.655 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.491 HD13 HG21 ' B' ' 26' ' ' ILE . 33.6 tp -98.1 130.92 44.87 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.024 0.44 . . . . 71.34 111.899 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.554 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 60.4 mmm -130.82 113.46 14.11 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.246 -0.433 . . . . 63.11 111.306 178.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.5 HG22 ' HA ' ' B' ' 33' ' ' ILE . 2.3 pp -138.35 158.79 31.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.0 0.429 . . . . 72.42 111.896 -177.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -90.38 131.67 36.03 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.879 0.371 . . . . 73.54 111.874 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 3.7 m -129.61 152.58 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 116.618 -0.265 . . . . 64.13 110.865 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.639 ' HG3' ' ND2' ' B' ' 55' ' ' ASN . 19.9 ptpt -94.01 -17.06 23.29 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.547 0.213 . . . . 65.23 111.428 175.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.639 ' ND2' ' HG3' ' B' ' 54' ' ' LYS . 30.2 m-80 -141.73 146.43 36.02 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.838 0.351 . . . . 74.44 111.219 176.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.8 p -61.36 -24.95 66.84 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.955 0.407 . . . . 74.23 111.227 173.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -56.11 -46.11 79.23 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.121 0.486 . . . . 71.13 110.878 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -57.34 -45.7 84.06 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.974 -0.557 . . . . 71.23 110.9 175.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.574 HD13 ' HB1' ' B' ' 6' ' ' ALA . 49.9 tp -57.04 -47.23 81.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.247 -0.433 . . . . 61.13 111.709 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 52.9 p -71.93 -27.73 63.0 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.912 0.387 . . . . 72.24 111.874 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 62.4 m -68.98 -42.29 76.73 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.701 0.286 . . . . 73.33 111.574 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' B' ' 66' ' ' LEU . 68.6 mt -59.78 -39.67 85.69 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.622 0.248 . . . . 70.41 111.283 177.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.5 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 61.8 mtt -51.48 -49.02 62.62 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.297 -0.41 . . . . 75.54 110.766 175.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' B' ' 68' ' ' LYS . 19.5 t70 -55.12 -52.65 62.59 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.873 -0.603 . . . . 71.41 111.153 177.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.449 ' NZ ' ' HB3' ' B' ' 65' ' ' LYS . 8.4 mtpm? -53.35 -34.49 57.77 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.237 0.541 . . . . 74.31 111.598 177.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.59 HD13 HD11 ' B' ' 10' ' ' ILE . 53.3 mt -81.77 -30.08 32.51 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.966 -0.561 . . . . 73.25 111.752 179.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' B' ' 63' ' ' MET . 51.9 mtt180 -70.65 -14.95 62.67 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.718 0.266 . . . . 74.11 111.718 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' B' ' 64' ' ' ASP . 1.5 mmmp? -72.46 -8.85 57.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.969 0.359 . . . . 73.42 111.969 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 48.8 t -86.95 119.59 35.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-O 121.207 0.527 . . . . 74.33 111.596 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -55.29 -33.7 63.48 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.007 0.743 . . . . 73.3 113.007 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.2 -9.63 86.85 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 121.075 -0.583 . . . . 72.02 114.553 -176.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 96.6 t -99.94 137.58 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 117.789 0.795 . . . . 71.11 111.786 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.99 -19.81 9.63 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.497 0.554 . . . . 73.05 112.497 178.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.589 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 2.5 p -126.75 118.94 25.73 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.185 0.517 . . . . 64.24 111.998 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 34.6 t -128.62 103.44 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.848 -0.797 . . . . 61.44 108.848 169.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -131.2 156.66 44.97 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.96 0.726 . . . . 62.31 112.96 -167.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.455 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 57.0 ttp85 -85.44 127.62 34.45 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.7 -0.682 . . . . 75.0 111.677 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' B' ' 9' ' ' ARG . 80.9 mt -77.87 99.25 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.047 -0.524 . . . . 73.23 110.317 173.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 43.4 t -69.06 -57.91 4.79 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.186 0.517 . . . . 73.1 111.297 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . 0.56 HD22 ' N ' ' B' ' 80' ' ' ASN . 0.8 OUTLIER -93.59 97.17 10.32 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.288 -0.414 . . . . 75.22 110.139 175.386 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.5 mt -64.22 142.28 58.47 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.799 0.809 . . . . 74.23 112.768 -175.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -79.93 28.84 0.28 Allowed 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.14 -0.936 . . . . 61.52 111.227 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.403 ' NE2' ' HG3' ' B' ' 50' ' ' MET . 29.5 m-70 -108.47 -27.9 9.66 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.724 -0.671 . . . . 74.34 111.907 -173.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -74.94 35.6 0.11 Allowed 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.635 0.606 . . . . 64.31 112.635 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -78.2 105.89 9.74 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.504 -0.554 . . . . 71.53 109.504 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -55.84 80.61 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.981 1.474 . . . . 52.22 114.981 -165.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 50.1 -176.73 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.93 1.826 . . . . 63.44 115.93 165.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 8.1 m80 . . . . . 0 C--O 1.253 1.251 0 CA-C-N 114.469 -1.242 . . . . 75.33 110.467 173.423 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.2 mtp . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 112.117 0.414 . . . . 75.34 112.117 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.1 m -130.46 -28.96 2.02 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.099 0.476 . . . . 74.44 110.692 173.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 53' ' ' VAL . 1.5 m-20 -60.77 150.01 33.86 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.698 -0.683 . . . . 73.31 112.462 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' HE2' ' HA ' ' A' ' 55' ' ' ASN . 52.0 p90 -142.23 163.94 31.51 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.993 -0.548 . . . . 64.12 110.797 176.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.81 HD22 HH11 ' A' ' 34' ' ' ARG . 55.8 tp -81.64 107.7 14.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.185 0.517 . . . . 74.52 110.341 176.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -96.85 159.13 15.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.687 -0.688 . . . . 70.02 112.094 -177.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 49' ' ' LEU . . . -134.53 143.54 15.24 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 115.983 -0.553 . . . . 44.2 112.802 178.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.52 HD12 HD23 ' A' ' 49' ' ' LEU . 53.6 mt -129.61 140.67 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 122.644 0.378 . . . . 73.13 110.782 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -115.9 126.81 54.4 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.788 0.327 . . . . 62.21 111.339 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.806 HD11 HD13 ' A' ' 66' ' ' LEU . 40.5 mt -123.6 117.31 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 116.24 -0.437 . . . . 74.42 111.236 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.633 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 95.9 t -120.23 120.44 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.43 0.633 . . . . 75.24 111.232 174.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.3 163.07 27.54 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.751 -0.659 . . . . 61.01 112.886 -178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.08 134.21 52.35 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 121.207 0.527 . . . . 74.12 111.8 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -70.65 110.58 5.56 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.123 -0.49 . . . . 53.11 111.552 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.482 ' HB2' ' HG2' ' A' ' 18' ' ' MET . 14.6 mmmm -121.2 -178.11 3.69 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.54 0.686 . . . . 72.14 112.733 -178.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -42.94 -30.77 0.44 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 114.339 -1.301 . . . . 64.11 114.002 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.36 36.8 0.4 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.383 -0.913 . . . . 73.25 113.747 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.482 ' HG2' ' HB2' ' A' ' 15' ' ' LYS . 50.2 mmm -73.59 -50.84 19.16 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 117.231 0.515 . . . . 62.02 111.979 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.7 p -61.18 -29.31 69.72 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.221 0.534 . . . . 73.11 111.109 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -76.44 -48.74 18.64 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.945 -0.571 . . . . 74.42 110.893 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.473 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.4 pt20 -68.77 -38.56 80.15 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.386 -0.37 . . . . 65.42 111.822 -176.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 22' ' ' ILE . 11.2 mm -56.32 -54.33 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.927 0.394 . . . . 45.12 111.858 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.469 HG21 HG21 ' B' ' 23' ' ' THR . 13.7 m -74.44 -27.19 60.49 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.209 0.528 . . . . 64.54 110.29 178.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.45 -38.32 93.35 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 121.214 -0.517 . . . . 64.2 112.475 172.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 21' ' ' GLN . 96.1 t -70.84 -40.21 76.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 120.91 0.386 . . . . 75.2 110.7 174.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.495 HG21 HD13 ' A' ' 49' ' ' LEU . 65.1 mt -56.14 -45.2 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 112.0 0.37 . . . . 70.11 112.0 177.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.4 p -59.21 -21.72 59.92 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 120.777 0.322 . . . . 71.04 111.702 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -75.49 -11.88 60.12 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.234 0.457 . . . . 51.23 112.234 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -65.63 161.65 20.01 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.949 0.88 . . . . 71.41 113.276 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -24.42 54.36 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.675 -1.148 . . . . 73.44 111.142 -178.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 t -91.28 179.13 5.78 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.828 -0.623 . . . . 70.44 112.018 -175.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -108.07 132.6 53.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.455 -0.338 . . . . 72.2 111.065 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.49 ' HA ' HG22 ' A' ' 51' ' ' ILE . 67.2 mt -74.68 108.22 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.77 0.319 . . . . 74.22 111.383 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.81 HH11 HD22 ' A' ' 5' ' ' LEU . 35.8 ttt180 -80.93 -30.71 35.27 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.144 0.497 . . . . 71.53 110.351 177.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.561 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 87.3 m -159.6 132.83 6.99 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.03 -0.532 . . . . 74.42 111.147 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.741 HD11 ' SG ' ' A' ' 47' ' ' CYS . 10.4 tp -132.56 128.72 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-O 120.797 0.332 . . . . 75.22 110.176 173.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.5 t -135.4 104.74 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-O 120.93 0.395 . . . . 64.31 111.359 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.689 ' HB3' HG22 ' B' ' 36' ' ' ILE . 7.7 tt -114.7 129.17 56.65 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 110.083 -0.34 . . . . 73.43 110.083 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -138.46 139.51 38.87 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.755 0.312 . . . . 74.31 111.229 176.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . . . -101.93 122.59 44.32 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.279 0.562 . . . . 71.02 111.521 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.508 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -140.35 142.13 35.6 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.882 -0.599 . . . . 61.55 110.593 178.629 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.67 12.74 9.0 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.147 0.498 . . . . 73.44 111.515 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.27 1.09 64.87 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 121.316 -0.469 . . . . 63.12 113.213 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.8 mt -123.16 161.64 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 109.635 -0.506 . . . . 72.13 109.635 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.491 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 34.8 p90 -124.68 148.86 47.73 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.999 -0.438 . . . . 72.43 111.772 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.462 ' HB ' HG22 ' A' ' 11' ' ' VAL . 2.3 t -122.27 114.13 20.39 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.078 -0.51 . . . . 43.44 111.065 174.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.741 ' SG ' HD11 ' A' ' 36' ' ' ILE . 51.9 t -95.54 114.28 26.03 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.355 -0.384 . . . . 73.44 110.95 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.424 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.4 m-20 -99.58 106.68 18.69 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.318 -0.401 . . . . 63.22 110.737 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 8' ' ' ILE . 56.0 tp -98.41 129.82 45.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.952 0.406 . . . . 62.52 112.05 -177.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.561 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 66.5 mmm -121.81 111.94 17.75 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.922 0.392 . . . . 61.53 110.983 176.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.49 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.3 pp -141.42 159.29 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.27 -0.423 . . . . 65.22 111.822 -176.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.414 ' CE2' ' HD2' ' A' ' 34' ' ' ARG . 22.0 m-85 -88.95 135.25 33.64 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.828 0.347 . . . . 74.34 111.667 178.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 8.6 m -133.68 150.03 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 116.512 -0.313 . . . . 43.22 111.182 179.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -59.49 -43.67 93.26 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.011 0.434 . . . . 72.12 111.562 175.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.422 ' HA ' ' HE2' ' A' ' 4' ' ' PHE . 2.3 p-10 -166.1 167.24 16.53 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.212 -0.449 . . . . 63.02 111.083 178.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.9 p -51.59 -33.66 33.73 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.568 0.951 . . . . 62.13 113.568 -172.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.15 -45.1 83.86 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.599 0.714 . . . . 74.22 110.828 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -58.71 -40.64 84.26 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.511 -0.768 . . . . 62.22 111.232 174.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.476 HD22 ' HB1' ' A' ' 6' ' ' ALA . 53.7 tp -65.64 -44.94 84.9 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.954 -0.566 . . . . 62.5 111.932 -178.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.2 p -60.93 -36.02 78.23 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.83 0.348 . . . . 61.51 111.272 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 91.7 m -57.36 -44.94 84.78 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.292 -0.413 . . . . 75.14 111.504 175.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.8 mt -60.63 -48.3 82.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.894 0.378 . . . . 74.51 111.508 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.631 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 74.4 mtm -55.35 -43.5 75.07 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.399 -0.364 . . . . 73.21 111.282 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.64 -46.29 84.37 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 120.971 0.415 . . . . 72.51 110.814 176.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -55.98 -33.13 64.54 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.116 -0.493 . . . . 72.13 111.37 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.806 HD13 HD11 ' A' ' 10' ' ' ILE . 41.0 mt -80.53 -26.61 37.98 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.23 -0.441 . . . . 75.24 111.942 177.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.631 ' HG3' ' O ' ' A' ' 63' ' ' MET . 80.7 mtp180 -70.63 -7.95 48.09 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.94 0.4 . . . . 74.32 111.678 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.421 ' HA ' ' HE2' ' A' ' 68' ' ' LYS . 11.1 mmpt? -72.71 -18.36 61.54 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.555 0.576 . . . . 64.22 112.555 -178.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.425 HG21 HD13 ' A' ' 22' ' ' ILE . 93.6 t -79.76 116.78 24.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.986 0.422 . . . . 72.31 111.658 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -32.73 38.44 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.245 0.832 . . . . 74.34 113.245 -177.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.58 -21.76 79.36 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.148 -0.548 . . . . 43.12 113.901 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.2 t -85.15 139.8 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 117.334 0.567 . . . . 61.24 112.075 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -122.56 -11.4 8.27 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.393 0.516 . . . . 70.11 112.393 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.633 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 7.6 p -132.59 119.41 20.44 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.096 0.474 . . . . 72.45 111.297 175.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.71 105.91 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.221 -0.445 . . . . 74.25 109.809 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -136.82 154.32 50.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.673 0.62 . . . . 75.41 112.673 -174.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HG3' HD21 ' A' ' 59' ' ' LEU . 42.1 ttp85 -80.71 142.63 33.68 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.415 -0.811 . . . . 74.43 111.718 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.69 116.87 29.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.338 -0.392 . . . . 75.43 110.627 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.1 p -82.93 -59.59 2.44 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.883 0.373 . . . . 71.24 111.739 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.16 119.42 26.42 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.204 -0.453 . . . . 61.42 111.508 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.5 mt -103.26 142.12 34.73 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.092 0.472 . . . . 64.02 111.825 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -89.35 7.65 34.69 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.838 -0.619 . . . . 73.34 111.33 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -75.59 86.46 2.67 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.06 -0.518 . . . . 63.23 111.749 -174.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -86.28 113.59 22.4 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.644 -0.253 . . . . 50.41 110.653 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -129.34 29.51 5.1 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.277 0.561 . . . . 71.44 111.099 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.514 ' CE1' ' HB3' ' A' ' 88' ' ' HIS . 46.8 t-80 -76.21 108.9 9.46 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.781 -0.645 . . . . 72.35 110.945 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' A' ' 88' ' ' HIS . 85.3 t60 -74.38 74.59 1.89 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.243 0.544 . . . . 74.5 111.732 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.514 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 57.3 t-80 . . . . . 0 C--O 1.252 1.19 0 CA-C-N 115.368 -0.833 . . . . 74.33 110.161 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptp . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.744 0.307 . . . . 72.53 111.613 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -82.27 -28.88 31.54 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.171 0.51 . . . . 71.01 111.183 173.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' B' ' 53' ' ' VAL . 4.2 m-20 -67.18 136.9 55.77 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.727 -0.669 . . . . 70.23 112.393 -177.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -123.93 154.49 39.68 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.16 -0.473 . . . . 70.24 109.793 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 55.3 tp -75.94 103.89 6.22 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.257 0.551 . . . . 71.42 111.419 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.18 151.66 19.6 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.887 -0.597 . . . . 75.52 111.944 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.47 129.58 6.29 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 121.375 -0.44 . . . . 74.44 113.098 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.541 HD12 HD23 ' B' ' 49' ' ' LEU . 45.9 mt -115.07 148.7 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-O 120.72 0.295 . . . . 44.12 111.367 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.403 ' NE ' HG23 ' B' ' 11' ' ' VAL . 2.5 tmm_? -120.96 118.18 29.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.707 0.289 . . . . 73.42 110.488 178.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.536 HD11 HD13 ' B' ' 66' ' ' LEU . 39.2 mt -118.43 118.49 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-N 116.522 -0.308 . . . . 52.05 111.303 -175.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.553 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 81.0 t -118.34 116.85 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.405 0.622 . . . . 63.23 111.569 176.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.94 167.16 24.96 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-N 115.552 -0.749 . . . . 73.34 112.685 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -76.84 143.27 39.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.736 0.643 . . . . 54.41 112.736 -176.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.13 83.51 0.34 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.019 -0.537 . . . . 75.31 112.318 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -104.15 163.26 12.52 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.615 0.969 . . . . 54.41 113.615 172.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -40.37 -35.57 0.44 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 113.561 -1.654 . . . . 40.23 114.488 -175.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -136.91 7.67 3.84 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.68 -0.772 . . . . 70.42 113.907 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.554 ' SD ' ' HA3' ' B' ' 71' ' ' GLY . 25.8 mmm -62.31 -51.01 69.35 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.364 0.505 . . . . 72.11 112.364 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 47.1 p -60.72 -36.05 77.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.883 0.373 . . . . 65.14 111.736 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -72.43 -45.64 58.7 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.135 0.493 . . . . 73.2 110.797 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.453 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.5 pt20 -69.47 -34.09 73.84 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.952 -0.567 . . . . 74.44 111.646 -176.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.404 ' O ' HG13 ' B' ' 26' ' ' ILE . 9.5 mm -62.29 -53.95 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 111.938 0.347 . . . . 65.02 111.938 -178.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.469 HG21 HG21 ' A' ' 23' ' ' THR . 4.2 m -73.44 -27.71 61.57 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.222 0.534 . . . . 73.11 110.265 178.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.5 ' O ' ' HG3' ' B' ' 28' ' ' LYS . . . -61.72 -44.04 98.44 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.8 -0.636 . . . . 52.53 112.802 174.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 21' ' ' GLN . 73.2 t -68.62 -35.85 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 O-C-N 122.443 -0.445 . . . . 55.45 110.964 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.437 HG21 HD13 ' B' ' 49' ' ' LEU . 74.3 mt -59.31 -44.76 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 121.036 0.445 . . . . 74.22 111.474 175.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 55.5 p -60.94 -22.5 64.47 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.709 0.29 . . . . 64.51 111.295 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 24' ' ' GLY . 61.0 mttp -82.89 3.81 28.21 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.524 0.565 . . . . 72.52 112.524 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -74.67 167.34 21.97 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.256 0.551 . . . . 72.32 112.112 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.76 -23.41 61.59 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.372 0.606 . . . . 71.33 111.239 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . 0.541 HG21 HD13 ' B' ' 51' ' ' ILE . 7.8 t -91.85 156.57 17.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.731 -0.668 . . . . 72.23 112.396 -173.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -95.28 117.35 30.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.902 -0.59 . . . . 73.22 111.193 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.454 ' HA ' HG22 ' B' ' 51' ' ' ILE . 64.4 mt -52.85 108.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 116.104 -0.498 . . . . 72.42 111.571 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -83.4 -40.49 19.28 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.352 0.596 . . . . 61.4 110.307 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 88.5 m -152.16 132.35 13.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.743 -0.662 . . . . 70.21 110.702 173.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.689 HG22 ' HB3' ' A' ' 38' ' ' LEU . 9.8 tp -134.68 135.16 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.89 0.376 . . . . 61.03 110.522 176.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' B' ' 48' ' ' ASN . 85.4 t -127.7 145.35 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.344 -0.389 . . . . 65.22 110.584 178.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.508 ' HB3' HG22 ' A' ' 36' ' ' ILE . 9.1 tt -144.29 110.61 5.51 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.491 -0.559 . . . . 74.22 109.491 170.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' B' ' 39' ' ' ASN . 1.3 p-10 -124.46 119.7 29.91 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.428 0.632 . . . . 74.34 111.703 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.567 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -104.56 132.3 50.96 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.439 -0.8 . . . . 74.33 111.952 -178.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.444 ' N ' ' HD3' ' B' ' 41' ' ' LYS . 0.3 OUTLIER -144.65 145.57 31.82 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.966 -0.561 . . . . 70.25 111.162 175.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 73.66 -32.24 0.24 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.62 0.768 . . . . 63.1 112.784 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.99 1.52 1.32 Allowed Glycine 0 CA--C 1.529 0.907 0 N-CA-C 112.176 -0.37 . . . . 70.34 112.176 -172.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.2 mt -126.36 155.97 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.081 0.552 . . . . 61.33 110.129 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.567 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 40.6 p90 -126.38 145.46 50.45 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.182 0.515 . . . . 54.02 111.546 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.517 ' HB ' HG22 ' B' ' 11' ' ' VAL . 0.9 OUTLIER -116.28 108.48 16.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.278 0.561 . . . . 72.22 111.581 174.5 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.582 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.6 t -89.03 123.07 33.0 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.31 -0.404 . . . . 74.43 111.292 176.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.537 ' HB2' ' HB ' ' B' ' 37' ' ' VAL . 15.3 m120 -104.74 112.15 25.14 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.818 0.342 . . . . 74.24 110.863 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.541 HD23 HD12 ' B' ' 8' ' ' ILE . 43.2 tp -99.11 126.0 44.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.058 0.392 . . . . 74.14 112.058 -177.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.454 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 62.0 mmm -123.29 106.96 11.15 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.959 0.409 . . . . 64.21 111.357 176.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.541 HD13 HG21 ' B' ' 31' ' ' THR . 2.7 pp -146.15 172.54 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.187 -0.46 . . . . 52.22 111.621 -177.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -97.01 136.12 38.03 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.059 0.457 . . . . 72.45 112.013 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' B' ' 3' ' ' ASP . 11.1 m -128.1 141.35 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.627 177.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.433 ' HE3' ' HB2' ' B' ' 54' ' ' LYS . 20.7 ptmt -68.37 -24.63 64.81 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.336 0.495 . . . . 72.41 112.336 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.433 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 0.2 OUTLIER -165.97 163.24 18.42 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.007 0.373 . . . . 63.55 112.007 178.234 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.8 p -55.16 -35.28 64.6 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.214 0.82 . . . . 74.13 113.214 -175.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.88 -36.91 85.89 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.222 0.534 . . . . 63.12 110.548 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' B' ' 55' ' ' ASN . 51.2 tptt -58.02 -44.4 87.26 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.986 -0.552 . . . . 70.2 110.711 173.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.04 -47.56 84.17 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.03 -0.532 . . . . 74.35 111.26 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . 0.446 ' HA ' ' SD ' ' B' ' 63' ' ' MET . 81.8 p -65.58 -28.32 69.06 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.925 0.393 . . . . 52.12 111.224 178.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 84.9 m -67.2 -41.22 86.19 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.916 0.389 . . . . 71.25 110.729 176.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.8 -39.45 88.98 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.158 -0.474 . . . . 73.42 111.11 176.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.605 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 64.0 mtt -51.04 -54.86 20.96 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.234 -0.439 . . . . 74.05 110.868 176.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -55.93 -43.21 77.19 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.926 -0.579 . . . . 71.52 111.284 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -58.44 -37.01 74.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.217 0.532 . . . . 73.12 111.158 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.536 HD13 HD11 ' B' ' 10' ' ' ILE . 54.8 mt -79.3 -29.33 42.39 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.888 -0.596 . . . . 72.15 111.513 178.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' B' ' 63' ' ' MET . 70.7 mtp180 -73.74 -9.58 58.8 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.78 0.289 . . . . 74.04 111.78 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -72.32 -14.36 61.72 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 111.887 0.329 . . . . 72.23 111.887 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 50.5 t -82.22 120.63 34.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.073 0.463 . . . . 71.1 111.444 -176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -56.35 -34.71 66.87 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.772 0.656 . . . . 64.04 112.772 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.554 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -75.76 -16.28 80.76 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 114.344 0.497 . . . . 61.35 114.344 -175.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.425 HG23 ' HE1' ' B' ' 18' ' ' MET . 59.0 t -91.16 145.89 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 117.672 0.736 . . . . 74.12 111.462 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.41 -27.29 4.46 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 112.248 0.462 . . . . 63.14 112.248 174.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.553 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 3.3 p -118.85 126.29 51.47 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.083 0.401 . . . . 74.43 112.083 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.448 HG21 ' HG2' ' B' ' 67' ' ' ARG . 97.3 t -133.8 104.79 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 N-CA-C 109.842 -0.429 . . . . 74.21 109.842 174.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -124.07 164.43 19.43 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.584 0.706 . . . . 63.11 112.812 -169.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.44 ' HB2' ' CE ' ' B' ' 63' ' ' MET . 24.1 ttp85 -101.46 117.53 35.13 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.506 -0.77 . . . . 70.23 110.664 173.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.431 HD11 HD22 ' B' ' 48' ' ' ASN . 81.9 mt -66.66 -53.89 29.08 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.083 0.401 . . . . 74.4 112.083 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . 0.412 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 28.5 p 65.37 -62.42 0.22 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.887 0.875 . . . . 75.24 112.137 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -60.8 103.75 0.29 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.924 0.392 . . . . 74.11 111.096 174.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 79' ' ' SER . 78.8 mt -114.8 141.93 47.22 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.061 0.458 . . . . 63.54 111.868 -177.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -102.94 11.08 37.86 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.057 0.456 . . . . 74.51 110.997 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -59.67 -44.55 93.54 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.482 0.549 . . . . 44.12 112.482 -175.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -74.23 70.57 1.64 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.317 0.58 . . . . 63.23 110.065 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -62.14 90.88 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.624 -0.716 . . . . 73.12 111.355 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -68.33 106.64 2.55 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.73 0.641 . . . . 71.13 112.73 -176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -111.0 -34.79 6.11 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.904 -0.589 . . . . 71.24 110.1 169.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.611 -0.709 . . . . 74.42 111.286 177.865 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 120.809 0.338 . . . . 71.33 111.756 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 47.3 p -140.25 172.46 12.72 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.283 -0.417 . . . . 73.44 111.043 175.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -137.86 137.61 38.27 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.965 -0.383 . . . . 74.42 109.965 169.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 6' ' ' ALA . 53.3 p90 -130.7 154.36 48.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.164 0.507 . . . . 74.03 110.973 176.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 83' ' ' HIS . 52.7 tp -80.85 103.05 10.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.776 -0.647 . . . . 64.3 110.462 178.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.499 ' HB1' HD22 ' A' ' 59' ' ' LEU . . . -93.09 138.56 31.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.858 -0.61 . . . . 41.42 111.896 -176.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.28 147.51 18.92 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 121.118 -0.563 . . . . 75.14 113.192 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.4 mt -133.32 140.09 47.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 O-C-N 122.663 -0.316 . . . . 61.05 110.503 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.435 ' HB2' HD21 ' A' ' 78' ' ' LEU . 79.6 ttt180 -116.18 122.99 46.68 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.131 -0.355 . . . . 74.02 110.947 175.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.525 HD11 HD13 ' A' ' 66' ' ' LEU . 34.2 mt -111.27 116.77 53.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 116.326 -0.397 . . . . 62.34 110.878 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.627 ' HB ' ' OG1' ' A' ' 74' ' ' THR . 69.3 t -121.03 117.87 54.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 121.773 0.797 . . . . 64.12 111.306 176.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.47 164.48 27.69 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 115.335 -0.848 . . . . 75.05 112.036 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.85 135.41 46.6 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 117.141 0.471 . . . . 72.32 111.27 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.22 90.9 0.15 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.013 0.435 . . . . 75.24 111.52 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.587 ' O ' ' N ' ' A' ' 17' ' ' GLY . 31.5 mmmt -103.35 127.79 50.6 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.324 -0.398 . . . . 74.14 111.672 176.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 47.97 -73.94 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.675 0 O-C-N 124.327 1.017 . . . . 72.53 113.377 164.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -155.15 34.55 0.66 Allowed Glycine 0 CA--C 1.527 0.83 0 CA-C-N 115.498 -0.774 . . . . 73.23 112.357 -177.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.56 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 67.9 mtp -64.71 -43.99 91.68 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.497 -0.413 . . . . 75.12 111.801 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.3 p -53.37 -29.89 36.77 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.059 0.457 . . . . 51.31 111.351 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.555 ' HA ' HD12 ' B' ' 33' ' ' ILE . 12.0 m120 -77.08 -49.54 15.08 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.123 -0.49 . . . . 50.53 111.217 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.56 ' HG2' ' HA ' ' A' ' 18' ' ' MET . 9.7 pt20 -69.88 -38.73 76.46 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.314 -0.403 . . . . 74.4 111.662 -177.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.469 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 13.2 mm -55.84 -54.39 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 121.08 0.466 . . . . 72.53 111.603 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 m -74.74 -27.75 60.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.537 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.27 -48.51 85.61 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.182 -0.532 . . . . 52.43 112.568 174.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 21' ' ' GLN . 66.8 t -60.14 -39.38 80.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 120.915 0.388 . . . . 50.3 110.995 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.476 HG21 HD13 ' A' ' 49' ' ' LEU . 72.4 mt -60.22 -40.82 84.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 116.162 -0.472 . . . . 50.31 111.506 175.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.512 ' HB3' ' O ' ' B' ' 20' ' ' ASN . 4.7 m -52.9 -41.23 64.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.353 0.596 . . . . 55.22 111.463 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' NZ ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -97.63 26.77 4.77 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.587 -0.733 . . . . 70.51 112.381 -176.339 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -75.73 168.99 18.99 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.681 0.753 . . . . 62.45 112.12 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.474 ' HB3' ' NZ ' ' A' ' 58' ' ' LYS . 38.3 t70 -85.54 35.31 0.6 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.341 -0.845 . . . . 52.41 110.833 176.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.5 t -153.69 157.92 40.26 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.107 0.479 . . . . 71.21 111.583 175.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -91.28 118.17 30.27 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.897 0.379 . . . . 61.54 112.005 -176.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.484 ' HA ' HG22 ' A' ' 51' ' ' ILE . 61.3 mt -59.79 109.93 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.516 -0.311 . . . . 60.42 111.042 177.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -34.45 15.51 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.215 0.531 . . . . 71.34 110.568 177.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.548 ' HB ' ' HB2' ' A' ' 50' ' ' MET . 16.3 m -153.97 147.61 25.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 74.2 110.199 175.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.594 HG22 ' HB3' ' B' ' 38' ' ' LEU . 19.6 tt -160.99 135.42 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.062 0.458 . . . . 72.04 111.373 174.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.469 HG13 HG22 ' B' ' 37' ' ' VAL . 60.4 t -133.85 105.11 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 116.216 -0.447 . . . . 53.24 111.363 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.557 ' HB3' HG22 ' B' ' 36' ' ' ILE . 9.0 tt -106.05 134.03 49.83 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 110.192 -0.299 . . . . 71.41 110.192 175.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -147.85 134.57 19.97 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.976 0.417 . . . . 71.13 110.975 173.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.706 ' HB3' ' HD3' ' B' ' 34' ' ' ARG . . . -99.76 128.59 45.85 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.046 0.45 . . . . 74.44 111.346 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -148.84 146.74 28.11 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.876 -0.602 . . . . 75.33 110.917 -175.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 57.85 26.59 13.44 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.362 0.601 . . . . 64.32 111.975 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.06 -11.21 70.07 Favored Glycine 0 CA--C 1.528 0.846 0 O-C-N 121.996 -0.44 . . . . 73.32 113.141 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.443 HG22 ' H ' ' A' ' 45' ' ' PHE . 1.9 mt -108.65 178.46 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 122.791 0.436 . . . . 55.14 109.986 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 38.9 p90 -142.06 149.28 39.72 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 122.042 -0.411 . . . . 75.34 110.862 169.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 5.1 t -124.72 109.75 13.51 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.125 0.488 . . . . 61.44 111.208 175.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 38' ' ' LEU . 51.0 t -98.64 112.83 24.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.185 -0.461 . . . . 63.42 111.09 177.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.464 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 2.8 m-20 -98.28 109.03 21.85 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.342 -0.39 . . . . 73.21 111.233 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.476 HD13 HG21 ' A' ' 26' ' ' ILE . 50.1 tp -98.18 137.85 36.33 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.834 0.349 . . . . 73.23 111.893 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.548 ' HB2' ' HB ' ' A' ' 35' ' ' THR . 67.7 mmm -129.68 111.89 13.12 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 116.412 -0.358 . . . . 71.32 111.12 176.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.484 HG22 ' HA ' ' A' ' 33' ' ' ILE . 2.7 pp -142.48 160.66 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-N 116.419 -0.355 . . . . 73.01 111.744 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -92.83 142.08 27.72 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.349 0.5 . . . . 72.32 112.349 -178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 m -142.12 152.85 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-N 115.859 -0.61 . . . . 42.54 110.838 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HG3' ' ND2' ' A' ' 55' ' ' ASN . 12.9 ptmm? -73.37 -38.74 65.58 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.286 0.476 . . . . 73.45 112.286 176.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.476 ' ND2' ' HG3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -157.17 162.19 39.34 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 111.729 0.27 . . . . 64.43 111.729 179.629 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.9 p -55.6 -33.01 63.57 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 113.826 1.047 . . . . 64.21 113.826 -171.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.3 -37.71 75.58 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.711 0.767 . . . . 72.13 110.472 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.474 ' NZ ' ' HB3' ' A' ' 30' ' ' ASP . 50.4 tptt -63.03 -39.91 96.15 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.93 -1.032 . . . . 64.35 111.219 175.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.499 HD22 ' HB1' ' A' ' 6' ' ' ALA . 67.7 tp -70.57 -46.49 63.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.94 0.4 . . . . 53.5 111.968 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.8 p -59.51 -28.34 66.97 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.406 -0.361 . . . . 72.31 111.75 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 96.8 m -59.34 -41.73 89.86 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.986 0.422 . . . . 74.13 111.018 175.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.63 -40.09 92.16 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.049 -0.523 . . . . 52.35 111.409 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.418 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 60.0 mtt -51.67 -52.43 48.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.135 0.493 . . . . 75.33 110.948 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.91 -44.29 86.73 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.772 -0.649 . . . . 62.44 111.101 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 61' ' ' THR . 8.2 mtpm? -58.06 -37.07 73.74 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 121.102 0.477 . . . . 75.24 111.702 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.525 HD13 HD11 ' A' ' 10' ' ' ILE . 54.9 mt -79.44 -30.95 42.45 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.106 0.479 . . . . 74.22 111.577 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 63' ' ' MET . 86.6 mtt180 -71.8 -6.83 44.41 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.305 0.484 . . . . 74.11 112.305 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -72.07 -16.54 62.03 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 111.934 0.346 . . . . 73.0 111.934 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.427 HG12 ' H ' ' A' ' 71' ' ' GLY . 94.6 t -76.42 119.53 24.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 121.451 0.643 . . . . 71.54 111.939 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -51.55 -30.27 20.05 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.746 1.017 . . . . 72.22 113.746 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.427 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -95.05 -5.49 60.82 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 114.627 0.611 . . . . 64.34 114.627 -174.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.4 t -94.51 133.48 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 117.955 0.877 . . . . 65.41 111.581 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -117.57 -8.96 10.88 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.727 0.64 . . . . 71.42 112.727 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.627 ' OG1' ' HB ' ' A' ' 11' ' ' VAL . 4.6 p -135.19 124.29 24.36 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.159 0.504 . . . . 61.12 111.676 175.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 66' ' ' LEU . 52.7 t -140.48 103.1 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 109.279 -0.637 . . . . 64.12 109.279 171.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -134.31 167.59 20.43 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.335 0.494 . . . . 74.22 112.335 -171.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 ttp85 -88.87 136.14 33.17 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.407 0.622 . . . . 74.23 111.945 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.435 HD21 ' HB2' ' A' ' 9' ' ' ARG . 98.0 mt -88.39 114.79 25.37 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.829 -0.623 . . . . 74.03 110.474 173.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.1 p -85.25 -65.35 1.02 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.061 0.458 . . . . 72.53 111.465 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -75.22 98.43 3.76 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.224 -0.444 . . . . 54.43 111.05 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.1 mt -86.4 152.26 22.86 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.483 0.549 . . . . 72.42 112.483 -174.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -84.72 15.65 3.74 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.897 -0.592 . . . . 73.01 111.572 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.435 ' CE1' HD21 ' A' ' 5' ' ' LEU . 17.6 m-70 -94.71 8.28 42.98 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.676 0.621 . . . . 72.44 112.676 -172.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -82.92 65.29 7.97 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.322 0.582 . . . . 54.41 111.225 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -80.67 -39.81 26.57 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.026 0.441 . . . . 62.42 110.205 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 70.0 t60 58.91 12.88 2.51 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.042 0.756 . . . . 75.53 113.042 168.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -73.95 106.06 5.48 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.932 0.396 . . . . 75.22 111.065 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 49.5 t60 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.917 -0.563 . . . . 74.33 111.086 -177.205 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.53 ' SD ' ' N ' ' B' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.75 0.309 . . . . 74.12 111.173 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 51.4 m -82.82 -26.03 32.11 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.272 0.558 . . . . 72.54 110.336 174.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -90.35 150.01 22.06 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.722 -0.672 . . . . 62.2 111.21 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -129.97 154.76 47.05 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.84 -0.429 . . . . 61.34 109.84 175.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 46.0 tp -79.56 102.98 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.321 0.581 . . . . 74.55 110.806 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.434 ' HB1' HD13 ' B' ' 59' ' ' LEU . . . -94.96 142.79 27.06 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.682 -0.69 . . . . 75.01 111.86 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.34 136.8 13.13 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 121.381 -0.438 . . . . 73.41 112.828 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.62 HD12 HD23 ' B' ' 49' ' ' LEU . 48.7 mt -124.04 143.89 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-O 121.015 0.436 . . . . 72.42 111.118 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -117.55 117.8 30.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.924 0.392 . . . . 75.5 110.902 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' B' ' 46' ' ' THR . 40.9 mt -112.02 117.75 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 116.285 -0.416 . . . . 51.53 111.075 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.593 ' HB ' ' OG1' ' B' ' 74' ' ' THR . 50.4 t -122.15 113.77 40.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 121.442 0.639 . . . . 72.42 111.415 176.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.72 172.19 23.45 Favored Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.471 -0.786 . . . . 21.23 112.498 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.56 134.98 43.89 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 121.216 0.531 . . . . 65.41 112.211 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -70.1 117.63 11.92 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.339 -0.391 . . . . 74.11 110.947 177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.463 ' HB2' ' HG2' ' B' ' 18' ' ' MET . 47.9 mtpt -143.17 174.9 10.29 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.891 1.071 . . . . 72.43 113.891 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -31.57 -36.72 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 113.424 -1.716 . . . . 74.42 115.158 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.41 29.97 0.46 Allowed Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.628 -0.796 . . . . 63.42 113.343 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.463 ' HG2' ' HB2' ' B' ' 15' ' ' LYS . 48.8 mmm -73.43 -50.97 18.97 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.37 0.507 . . . . 73.51 112.37 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -63.55 -27.07 69.01 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.316 0.579 . . . . 64.43 110.726 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.512 ' O ' ' HB3' ' A' ' 27' ' ' SER . 15.0 m120 -76.04 -48.52 20.58 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.582 -0.736 . . . . 61.44 111.048 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' B' ' 18' ' ' MET . 9.0 pt20 -66.29 -39.42 89.37 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.847 0.356 . . . . 64.42 111.706 -177.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.508 ' O ' HG12 ' B' ' 26' ' ' ILE . 13.2 mm -59.19 -54.12 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 112.485 0.55 . . . . 63.15 112.485 -177.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 22.4 m -70.6 -27.37 64.04 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.107 0.479 . . . . 71.52 110.728 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.9 -45.57 96.29 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.128 -0.558 . . . . 73.32 111.911 171.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 21' ' ' GLN . 92.5 t -62.34 -34.35 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 120.824 0.345 . . . . 73.31 111.327 175.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.78 HD12 HD22 ' B' ' 49' ' ' LEU . 49.9 mm -58.53 -44.32 88.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-O 120.94 0.4 . . . . 63.31 111.331 176.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 54.8 p -63.61 -21.47 66.38 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.955 0.407 . . . . 63.41 111.467 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' B' ' 25' ' ' VAL . 26.7 mtpp -79.87 -4.88 54.16 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 116.2 -0.454 . . . . 73.33 112.081 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -69.38 169.21 12.8 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.025 0.75 . . . . 73.3 113.025 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.24 -12.48 60.0 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.396 -0.82 . . . . 65.21 111.597 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -115.77 172.19 7.29 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.142 0.793 . . . . 73.43 113.142 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . 0.493 ' O ' HG22 ' B' ' 51' ' ' ILE . 22.6 t-20 -97.87 129.77 44.8 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.564 -0.744 . . . . 74.14 111.572 -174.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 20' ' ' ASN . 66.6 mt -69.81 98.81 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.028 0.442 . . . . 72.4 110.976 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.706 ' HD3' ' HB3' ' A' ' 40' ' ' ALA . 5.4 tpp180 -83.45 -30.59 27.14 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.267 0.556 . . . . 54.12 110.738 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.558 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 9.7 m -156.77 148.6 22.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.862 -0.608 . . . . 63.53 110.267 173.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.557 HG22 ' HB3' ' A' ' 38' ' ' LEU . 17.4 tt -157.23 133.29 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-O 120.956 0.408 . . . . 70.2 111.38 173.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.469 HG22 HG13 ' A' ' 37' ' ' VAL . 77.1 t -130.0 104.38 10.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 116.269 -0.423 . . . . 73.31 111.433 -177.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.594 ' HB3' HG22 ' A' ' 36' ' ' ILE . 8.8 tt -110.16 131.69 54.83 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 122.211 -0.305 . . . . 70.01 110.658 177.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -147.96 145.71 28.68 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.551 -0.295 . . . . 74.42 110.668 173.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' B' ' 45' ' ' PHE . . . -114.45 120.23 39.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.193 0.521 . . . . 73.11 111.723 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.84 152.27 46.36 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.999 -0.546 . . . . 64.33 110.112 176.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 63.53 16.7 9.82 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 112.082 0.401 . . . . 71.11 112.082 -178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.25 12.79 81.79 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 121.136 -0.554 . . . . 62.22 112.801 -175.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.1 mt -131.37 155.58 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 122.952 0.501 . . . . 62.32 109.723 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.499 ' O ' ' HA ' ' B' ' 11' ' ' VAL . 40.4 p90 -124.23 145.8 49.13 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.943 -0.473 . . . . 71.31 111.39 179.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' B' ' 10' ' ' ILE . 2.5 t -120.27 108.87 14.7 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.146 -0.479 . . . . 51.43 111.009 174.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.439 ' SG ' HD11 ' B' ' 36' ' ' ILE . 43.2 t -95.84 105.72 17.76 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.144 0.497 . . . . 51.22 111.459 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' B' ' 36' ' ' ILE . 14.5 m120 -83.32 107.81 16.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.964 -0.562 . . . . 61.41 110.999 176.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.78 HD22 HD12 ' B' ' 26' ' ' ILE . 57.1 tp -98.68 134.55 41.44 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.857 0.36 . . . . 55.04 111.855 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.558 ' HB2' ' HB ' ' B' ' 35' ' ' THR . 65.8 mmm -126.05 110.82 13.99 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.958 0.409 . . . . 73.22 110.908 175.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.493 HG22 ' O ' ' B' ' 32' ' ' ASN . 2.3 pp -140.55 164.42 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 116.221 -0.445 . . . . 53.21 111.632 -177.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -97.17 130.76 44.38 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 120.752 0.311 . . . . 71.21 111.752 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.408 HG21 ' HB2' ' B' ' 59' ' ' LEU . 3.5 m -131.92 148.2 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 120.974 0.416 . . . . 55.1 111.247 177.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.47 ' HG3' HD22 ' B' ' 55' ' ' ASN . 17.8 ptpt -74.91 -35.49 62.21 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.558 0.577 . . . . 74.11 112.558 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.47 HD22 ' HG3' ' B' ' 54' ' ' LYS . 48.1 m-80 -136.7 151.16 48.95 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 122.178 -0.326 . . . . 63.14 111.103 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.9 p -62.34 -20.21 64.15 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.999 0.428 . . . . 74.14 110.969 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.36 -41.43 73.12 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.655 0.74 . . . . 74.31 109.629 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -59.6 -37.83 79.62 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.995 -1.002 . . . . 72.34 110.765 173.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.434 HD13 ' HB1' ' B' ' 6' ' ' ALA . 50.1 tp -67.98 -48.45 65.76 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.953 -0.567 . . . . 54.44 111.629 178.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 69.4 p -60.51 -40.06 90.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.725 0.298 . . . . 73.31 110.84 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' B' ' 65' ' ' LYS . 85.6 m -53.06 -45.52 68.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.082 -0.508 . . . . 74.21 111.527 175.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 47.5 mt -59.91 -47.56 85.26 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.845 0.355 . . . . 75.43 111.476 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.519 ' O ' ' HG3' ' B' ' 67' ' ' ARG . 79.5 mtm -59.43 -39.33 83.17 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.5 -0.318 . . . . 52.2 111.179 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.24 -47.91 82.06 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.027 0.442 . . . . 73.13 111.206 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' B' ' 65' ' ' LYS . 8.6 mtpm? -54.86 -40.29 69.52 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.921 -0.581 . . . . 73.31 111.578 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.547 ' HB2' HG11 ' B' ' 75' ' ' VAL . 67.1 mt -75.17 -29.68 60.5 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.979 -0.555 . . . . 73.41 111.87 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' B' ' 63' ' ' MET . 98.8 mtt180 -70.92 -8.29 51.92 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 120.719 0.295 . . . . 75.53 111.74 178.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -83.43 2.83 34.7 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.063 0.459 . . . . 75.14 111.361 176.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.422 HG12 ' H ' ' B' ' 71' ' ' GLY . 62.9 t -88.62 116.74 30.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 116.352 -0.385 . . . . 71.14 110.782 176.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -64.99 -13.71 58.42 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.729 0.64 . . . . 53.12 112.729 -173.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.448 ' HA3' ' SD ' ' B' ' 18' ' ' MET . . . -93.46 -10.85 58.89 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 121.042 -0.599 . . . . 43.21 113.811 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 94.8 t -105.07 134.03 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 O-C-N 122.252 -0.557 . . . . 62.23 111.691 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.9 -16.36 13.56 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.542 0.571 . . . . 75.21 112.542 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.593 ' OG1' ' HB ' ' B' ' 11' ' ' VAL . 1.1 p -132.4 123.62 27.09 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.166 0.507 . . . . 72.52 111.825 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.547 HG11 ' HB2' ' B' ' 66' ' ' LEU . 25.4 t -136.01 103.5 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.95 -0.759 . . . . 73.21 108.95 171.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -133.99 160.16 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.273 0.558 . . . . 55.14 112.165 -168.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -83.48 148.86 26.99 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.881 -0.599 . . . . 70.52 112.143 -176.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.5 mt -104.0 128.66 51.57 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.027 -0.533 . . . . 71.21 110.814 175.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 79.3 p -97.83 -39.84 8.82 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.924 0.392 . . . . 71.42 111.662 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -101.07 129.78 47.0 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.954 0.407 . . . . 65.1 111.18 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -122.45 153.37 39.22 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.884 0.373 . . . . 73.35 111.537 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -82.19 2.62 30.78 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.514 0.673 . . . . 72.11 110.603 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -74.42 -27.86 60.81 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.475 -0.784 . . . . 72.32 110.934 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -165.42 129.63 2.35 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.865 -0.607 . . . . 73.35 110.227 175.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -148.49 100.66 3.15 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.004 0.43 . . . . 65.3 110.08 -177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -79.95 68.76 6.15 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.897 0.703 . . . . 61.11 112.897 -168.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 48.7 38.85 12.42 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.202 1.186 . . . . 65.42 114.202 172.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.148 -0.93 . . . . 75.54 111.503 171.049 . . . . . . . . 1 1 . 1 stop_ save_