data_1i56_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 1i56 _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 1' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 41' ' ' THR . 19.3 t . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 120.799 0.333 . . . . 2.6000000000000001 110.706 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 87' ' ' ASP . 18.1 ptmt -58.91 -172.6 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 CA-C-O 121.629 0.728 . . . . 1.98 112.05 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 5.6 mt -77.06 79.16 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 CA-C-O 121.754 0.787 . . . . 2.6800000000000002 109.028 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.01 -167.58 1.94 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.653 -0.654 . . . . 5.2400000000000002 110.632 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -139.59 -173.05 3.51 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.419 -0.801 . . . . 1.5600000000000001 110.644 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 36.4 mtmt -66.84 -57.71 6.48 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.508 -0.745 . . . . 3.5499999999999998 110.241 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -73.91 -38.35 64.36 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.398 -0.814 . . . . 0.56999999999999995 110.285 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -56.25 -49.13 75.04 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.436 -0.79 . . . . 1.53 110.482 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 30' ' ' VAL . 2.1 tt -69.75 -32.86 71.63 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.452 -0.78 . . . . 1.72 109.91 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.431 ' HB2' HD12 ' A' ' 125' ' ' LEU . . . -68.38 -43.23 77.78 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.654 -0.654 . . . . 1.1299999999999999 110.712 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -71.38 -37.15 71.61 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.452 -0.78 . . . . 2.75 110.15 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -65.47 -48.35 72.95 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.568 -0.707 . . . . 3.0600000000000001 110.141 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 29' ' ' TRP . 2.3 mp -66.02 -37.72 86.61 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.591 -0.693 . . . . 2.48 110.25 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.522 ' HB2' HD21 ' A' ' 26' ' ' LEU . 8.8 tmtt? -59.32 -41.28 88.73 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.432 -0.792 . . . . 2.29 110.137 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 t -63.48 -37.6 87.9 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.623 -0.673 . . . . 1.8 110.902 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -75.27 -27.3 59.34 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.352 -0.843 . . . . 2.23 110.847 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.59 16.62 3.71 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 110.869 -0.892 . . . . 0.72999999999999998 110.869 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.45 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -87.12 -11.63 49.49 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.069 -1.254 . . . . 2.0 111.092 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.466 ' HB3' ' HA ' ' A' ' 14' ' ' LYS . 8.5 p-10 -65.44 116.37 6.66 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.11 -0.994 . . . . 1.9399999999999999 110.139 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.25 19.14 70.07 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.901 -1.279 . . . . 0.57999999999999996 109.901 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.45 ' HB2' ' HA ' ' A' ' 18' ' ' MET . 66.9 t80 -62.0 122.85 16.51 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.351 -1.088 . . . . 2.4199999999999999 110.22 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 55.01 36.46 26.98 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.815 -0.553 . . . . 2.2799999999999998 110.536 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.32 -4.98 65.08 Favored Glycine 0 N--CA 1.497 2.726 0 N-CA-C 110.7 -0.96 . . . . 0.95999999999999996 110.7 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -89.07 103.12 15.76 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.16 -1.2 . . . . 2.27 109.802 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.9 t -59.65 172.47 0.7 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.704 -0.623 . . . . 1.75 110.813 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 14' ' ' LYS . 36.8 mt -59.06 -39.7 82.89 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.363 -0.836 . . . . 2.2599999999999998 110.834 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.565 ' HB2' ' HB2' ' A' ' 125' ' ' LEU . . . -54.77 -41.75 70.88 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.718 -0.614 . . . . 1.02 111.033 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.407 ' HA ' ' SG ' ' A' ' 116' ' ' CYS . 20.6 m-80 -54.48 -39.93 68.0 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.582 -0.699 . . . . 1.52 110.588 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.456 ' HB3' ' CD2' ' A' ' 13' ' ' LEU . 92.6 m95 -75.6 -36.86 60.19 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.66 -0.65 . . . . 0.73999999999999999 110.585 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.423 ' HA ' HD22 ' A' ' 9' ' ' LEU . 48.9 t -71.02 -56.47 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.597 -0.69 . . . . 1.03 110.952 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' SG ' ' N ' ' A' ' 32' ' ' MET . 21.7 p -56.16 -33.24 65.05 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.522 -0.736 . . . . 0.57999999999999996 110.844 -179.814 68.746 -168.103 -142.682 104.513 2.016 103.445 135.884 -98.588 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.58 ' SD ' ' CG ' ' A' ' 109' ' ' TRP . 0.3 OUTLIER -63.75 -46.72 84.03 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.595 -0.691 . . . . 2.8700000000000001 109.711 179.407 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.23 -22.52 48.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.623 -0.673 . . . . 1.05 110.551 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 3.6 tt0 -74.08 -21.16 60.03 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.619 -0.676 . . . . 2.48 110.42 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.498 ' HB3' ' CB ' ' A' ' 111' ' ' ALA . 0.4 OUTLIER -108.0 -34.55 6.87 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.314 -0.866 . . . . 3.1499999999999999 110.821 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 59' ' ' GLN . 1.1 mm-40 -68.33 -60.66 2.29 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.249 -0.907 . . . . 2.02 110.382 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 10.9 p -108.31 -9.27 15.5 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.417 -0.802 . . . . 1.8600000000000001 111.482 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 37' ' ' SER . 1.2 m-80 59.59 46.33 12.11 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.421 -0.799 . . . . 2.2200000000000002 109.862 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.446 ' CE2' ' HG3' ' A' ' 34' ' ' GLU . 51.8 m-85 57.25 18.91 4.54 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.904 -0.497 . . . . 3.54 111.498 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.522 ' HB3' ' CB ' ' A' ' 43' ' ' ALA . 2.1 t30 -95.36 127.31 41.3 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.02 -1.05 . . . . 0.68999999999999995 109.753 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.48 HG23 ' HG3' ' A' ' 42' ' ' GLN . 15.4 t -72.51 -27.28 62.15 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.568 -0.708 . . . . 2.54 111.414 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.48 ' HG3' HG23 ' A' ' 41' ' ' THR . 1.5 mt-30 -96.55 4.34 52.08 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.336 -0.853 . . . . 1.0700000000000001 110.797 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.522 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . . . -72.98 119.71 17.6 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.134 -0.979 . . . . 1.3700000000000001 110.16 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.467 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 13.8 p90 -149.84 156.55 41.99 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.66 -0.65 . . . . 2.48 110.796 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -103.46 157.35 17.1 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.596 -0.69 . . . . 2.9399999999999999 109.608 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.63 -45.98 1.01 Allowed Glycine 0 N--CA 1.497 2.704 0 N-CA-C 110.429 -1.068 . . . . 1.79 110.429 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.8 ptt85 -118.65 130.39 55.83 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.45 -1.029 . . . . 4.8399999999999999 110.827 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 0.7 OUTLIER -117.69 -161.54 0.83 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.566 -0.709 . . . . 2.1499999999999999 110.095 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.2 t -58.99 -42.44 90.03 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.39 -0.819 . . . . 1.72 110.154 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -104.14 26.82 8.33 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.685 -0.634 . . . . 1.53 109.819 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.76 21.92 78.79 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.422 -1.471 . . . . 0.94999999999999996 109.422 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.402 ' HB2' ' HB2' ' A' ' 48' ' ' ASN . 5.4 m -82.41 -173.27 4.48 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.554 -0.968 . . . . 1.79 110.915 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 p -146.29 152.11 38.63 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.513 -0.742 . . . . 1.25 110.114 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.471 ' HB3' ' CB ' ' A' ' 59' ' ' GLN . 72.6 m-20 -107.47 149.52 27.85 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.396 -0.815 . . . . 2.1099999999999999 110.12 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -145.47 146.1 31.35 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.405 -0.809 . . . . 3.2799999999999998 111.099 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.25 -176.97 42.4 Favored Glycine 0 N--CA 1.497 2.744 0 C-N-CA 120.788 -0.72 . . . . 0.38 111.389 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.413 ' HA ' ' OG ' ' A' ' 37' ' ' SER . 1.3 tt -67.74 -33.95 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.933 -0.745 . . . . 1.96 110.494 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -82.71 -22.29 34.54 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.368 -0.832 . . . . 2.3300000000000001 109.688 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 4.5 mt-30 58.08 64.01 1.62 Allowed 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.914 0.864 . . . . 1.97 108.734 -178.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.07 137.8 47.39 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.191 0.52 . . . . 1.1899999999999999 110.633 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -68.36 119.99 13.75 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.624 -0.673 . . . . 2.23 110.347 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' A' ' 68' ' ' SER . 89.6 p -80.86 72.52 7.86 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.283 -0.886 . . . . 1.9199999999999999 109.703 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -158.74 -29.22 0.07 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.467 -0.771 . . . . 1.45 112.087 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.499 ' N ' ' CD1' ' A' ' 64' ' ' TRP . 4.0 m95 -115.59 -1.77 12.66 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.864 -1.148 . . . . 0.76000000000000001 110.853 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.488 ' CD2' ' HB2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -158.98 21.26 0.2 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.16 -0.963 . . . . 4.6299999999999999 110.971 -179.322 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 41.8 t -168.62 141.39 2.88 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.878 -1.139 . . . . 0.82999999999999996 111.131 -179.815 177.167 -141.426 163.451 104.642 2.02 104.296 49.851 -88.611 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HG2' ' HB2' ' A' ' 75' ' ' ASN . 11.3 mmmt -91.94 129.38 37.91 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.749 -0.595 . . . . 2.1299999999999999 110.412 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' A' ' 62' ' ' SER . 5.6 t -144.7 -155.7 0.63 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.435 -0.791 . . . . 1.21 109.853 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -88.05 21.08 2.86 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.358 -0.839 . . . . 3.3700000000000001 110.264 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.4 ' HB2' ' HA ' ' A' ' 52' ' ' SER . 14.2 p -89.83 40.06 0.98 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.348 -0.845 . . . . 1.3400000000000001 110.652 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.44 ' O ' ' HB3' ' A' ' 72' ' ' SER . 68.0 m80 55.05 64.32 1.84 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.4 -0.812 . . . . 3.2400000000000002 109.925 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.44 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 10.3 t 65.6 161.31 0.14 Allowed 'General case' 0 N--CA 1.501 2.12 0 CA-C-O 121.358 0.599 . . . . 1.52 110.744 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.8 m -151.05 -176.37 5.52 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.36 -0.837 . . . . 0.94999999999999996 110.075 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.3 -29.03 53.52 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.277 -0.889 . . . . 1.1699999999999999 110.214 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.443 ' HB2' ' HG2' ' A' ' 67' ' ' LYS . 9.0 t-20 52.37 35.8 18.25 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.77 -0.581 . . . . 0.97999999999999998 110.987 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.402 ' N ' ' HA ' ' A' ' 65' ' ' TRP . . . -60.32 -30.16 69.33 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.337 -0.852 . . . . 0.80000000000000004 110.578 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.26 -10.64 48.99 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.325 -0.86 . . . . 0.54000000000000004 110.282 179.051 -143.262 -140.039 -116.644 104.471 2.023 104.712 -45.935 -92.854 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.91 60.25 2.82 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 121.797 0.808 . . . . 0.69999999999999996 111.079 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.515 HG21 ' SG ' ' A' ' 95' ' ' CYS . 5.4 tp -161.42 126.1 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.755 -0.59 . . . . 2.5699999999999998 109.859 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.7 mtt -62.53 153.56 31.43 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.515 -0.741 . . . . 2.6699999999999999 109.964 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 2.2 m -88.62 53.69 2.8 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.376 -0.828 . . . . 1.1599999999999999 110.549 -179.534 -88.611 49.851 163.451 104.296 2.02 104.642 -141.426 177.167 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.8 m -117.15 -40.53 3.09 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.531 -0.731 . . . . 1.8600000000000001 110.084 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -93.13 54.87 2.21 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.413 -0.805 . . . . 3.4300000000000002 110.659 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -122.47 -11.46 8.3 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.18 -0.95 . . . . 3.1499999999999999 111.455 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 mp -104.05 30.58 5.09 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.128 -0.982 . . . . 1.3400000000000001 110.428 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -84.43 -176.81 6.41 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.379 -0.826 . . . . 1.23 110.212 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 2' ' ' LYS . 1.9 m-20 -95.05 25.66 4.09 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.249 -0.907 . . . . 1.74 110.625 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -123.31 133.59 54.13 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.235 -0.916 . . . . 1.1899999999999999 109.919 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.0 tt -101.7 52.97 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.502 -0.749 . . . . 3.02 110.342 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -112.05 -49.64 2.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.199 -0.938 . . . . 1.45 110.391 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -74.92 -31.84 61.64 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.438 -0.789 . . . . 1.1599999999999999 110.086 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.71 -33.81 76.75 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.65 -0.656 . . . . 1.1899999999999999 109.607 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.419 HD13 HG23 ' A' ' 93' ' ' ILE . 35.1 mm -85.38 -34.11 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.664 -0.647 . . . . 1.72 109.603 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.39 -47.55 85.59 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.527 -0.733 . . . . 1.1299999999999999 110.067 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.515 ' SG ' HG21 ' A' ' 79' ' ' ILE . 1.4 m -80.42 -20.82 43.05 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.463 -0.773 . . . . 0.95999999999999996 110.465 179.308 -92.854 -45.935 -116.644 104.712 2.023 104.471 -140.039 -143.262 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.415 ' HA ' ' HH2' ' A' ' 109' ' ' TRP . . . -59.18 -39.76 83.57 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.395 -0.815 . . . . 0.65000000000000002 110.088 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -62.48 -35.82 80.54 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.524 -0.735 . . . . 3.23 109.901 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -63.23 -38.85 92.77 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.664 -0.648 . . . . 3.1099999999999999 109.895 178.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.455 HG13 ' CH2' ' A' ' 65' ' ' TRP . 48.5 t -67.71 -26.74 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.505 -0.747 . . . . 2.1699999999999999 110.362 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 77.1 t -84.98 -38.86 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.417 -0.802 . . . . 1.8999999999999999 110.519 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -75.12 -20.78 59.27 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.289 -0.882 . . . . 2.1200000000000001 111.224 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.528 ' HB3' ' HD2' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -69.35 178.04 1.06 Allowed Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 121.244 -0.91 . . . . 2.2599999999999998 109.991 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 102' ' ' ASP . 40.9 Cg_endo -66.75 -27.35 44.56 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 O-C-N 123.506 1.266 . . . . 1.1499999999999999 111.405 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -53.27 17.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.308 -0.87 . . . . 2.3399999999999999 110.004 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.62 -144.92 34.8 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.946 -1.262 . . . . 0.72999999999999998 109.946 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -13.59 62.08 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.693 -0.886 . . . . 1.95 111.058 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.0 t -55.79 -36.75 67.74 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.48 -0.762 . . . . 1.27 110.831 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.04 92.0 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.459 -0.776 . . . . 1.3799999999999999 110.094 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.58 ' CG ' ' SD ' ' A' ' 32' ' ' MET . 1.4 m-90 -83.13 96.98 8.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.414 -0.804 . . . . 0.64000000000000001 110.071 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.8 t -58.42 -43.68 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.755 -0.591 . . . . 2.1000000000000001 109.912 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.498 ' CB ' ' HB3' ' A' ' 35' ' ' TYR . . . -57.89 -26.99 62.89 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.555 -0.716 . . . . 0.59999999999999998 110.96 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -78.23 -57.3 3.86 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.419 -0.801 . . . . 0.57999999999999996 110.46 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.602 ' HA ' ' HB3' ' A' ' 117' ' ' LYS . 23.7 m -67.34 -18.9 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 121.382 -0.824 . . . . 1.5600000000000001 111.664 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -103.5 -8.38 20.15 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.162 -0.961 . . . . 2.3500000000000001 111.798 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 119' ' ' LYS . 0.7 OUTLIER -133.57 8.74 3.92 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.919 -1.113 . . . . 2.7599999999999998 112.077 -179.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 28' ' ' ASN . 1.2 m -156.24 -68.14 0.11 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.903 -1.123 . . . . 1.29 110.952 179.854 -98.588 135.884 -142.682 103.445 2.016 104.513 -168.103 68.746 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.602 ' HB3' ' HA ' ' A' ' 113' ' ' VAL . 8.0 tptt -59.13 -40.79 86.58 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.443 -0.786 . . . . 2.8599999999999999 109.94 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -96.08 -39.96 4.16 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 109.52 -1.432 . . . . 0.81000000000000005 109.52 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 115' ' ' HIS . 14.2 tttt -87.44 102.85 14.95 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.465 -1.021 . . . . 2.2999999999999998 109.85 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.14 86.68 5.55 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.551 -0.718 . . . . 2.4700000000000002 110.497 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.3 tp -98.81 136.83 38.28 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.453 -0.779 . . . . 2.8300000000000001 110.004 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.5 m -103.52 34.32 3.0 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.406 -0.808 . . . . 2.5 110.764 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -135.37 7.35 3.34 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.199 -0.938 . . . . 3.4500000000000002 111.864 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.426 ' CG ' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -70.44 -105.83 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.074 -1.016 . . . . 4.8700000000000001 111.323 -179.678 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.565 ' HB2' ' HB2' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -67.46 -14.48 62.96 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.683 -1.261 . . . . 1.29 111.51 -179.44 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.14 97.3 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.159 -0.963 . . . . 1.6799999999999999 110.373 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 t -95.5 20.4 9.59 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.613 -0.679 . . . . 1.5700000000000001 110.461 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 125' ' ' LEU . 7.5 m -119.47 -178.26 3.56 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.326 -0.859 . . . . 3.1200000000000001 110.289 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 38.11 -150.96 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.396 0 CA-C-O 120.995 0.426 . . . . 4.54 111.913 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.502 2.174 0 O-C-N 120.969 -1.082 . . . . 5.0800000000000001 111.238 -179.095 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.454 ' HA ' ' HB ' ' A' ' 57' ' ' ILE . 19.3 t . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 120.799 0.333 . . . . 2.1 110.706 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HB3' ' HA ' ' A' ' 87' ' ' ASP . 18.1 ptmt -58.91 -172.6 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 CA-C-O 121.629 0.728 . . . . 1.48 112.05 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 5.6 mt -77.06 79.16 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 CA-C-O 121.754 0.787 . . . . 2.12 109.028 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.01 -167.58 1.94 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.653 -0.654 . . . . 4.28 110.632 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.413 ' HB2' ' HB3' ' A' ' 8' ' ' GLU . 18.3 m -139.59 -173.05 3.51 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.419 -0.801 . . . . 1.19 110.644 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.438 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 36.4 mtmt -66.84 -57.71 6.48 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.508 -0.745 . . . . 3.07 110.241 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -73.91 -38.35 64.36 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.398 -0.814 . . . . 0.57 110.285 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 5' ' ' SER . 7.1 tp10 -56.25 -49.13 75.04 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.436 -0.79 . . . . 1.53 110.482 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 30' ' ' VAL . 2.1 tt -69.75 -32.86 71.63 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.452 -0.78 . . . . 1.11 109.91 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 1.01 ' HB1' HD11 ' A' ' 125' ' ' LEU . . . -68.38 -43.23 77.78 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.654 -0.654 . . . . 0.38 110.712 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -71.38 -37.15 71.61 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.452 -0.78 . . . . 2.31 110.15 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -65.47 -48.35 72.95 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.568 -0.707 . . . . 2.65 110.141 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 29' ' ' TRP . 2.3 mp -66.02 -37.72 86.61 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.591 -0.693 . . . . 1.93 110.25 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.555 ' HB2' HD11 ' A' ' 26' ' ' LEU . 8.8 tmtt? -59.32 -41.28 88.73 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.432 -0.792 . . . . 1.83 110.137 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 t -63.48 -37.6 87.9 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.623 -0.673 . . . . 1.4 110.902 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 1.9 ppp? -75.27 -27.3 59.34 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.352 -0.843 . . . . 1.65 110.847 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.59 16.62 3.71 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 110.869 -0.892 . . . . 0.61 110.869 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.526 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -87.12 -11.63 49.49 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.069 -1.254 . . . . 1.35 111.092 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.444 ' HA ' ' HG ' ' A' ' 26' ' ' LEU . 8.5 p-10 -65.44 116.37 6.66 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.11 -0.994 . . . . 1.94 110.139 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.25 19.14 70.07 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.901 -1.279 . . . . 0.58 109.901 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.526 ' HB2' ' HA ' ' A' ' 18' ' ' MET . 66.9 t80 -62.0 122.85 16.51 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.351 -1.088 . . . . 1.6 110.22 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 55.01 36.46 26.98 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.815 -0.553 . . . . 1.62 110.536 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.32 -4.98 65.08 Favored Glycine 0 N--CA 1.497 2.726 0 N-CA-C 110.7 -0.96 . . . . 0.92 110.7 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -89.07 103.12 15.76 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.16 -1.2 . . . . 1.52 109.802 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.9 t -59.65 172.47 0.7 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.704 -0.623 . . . . 1.25 110.813 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 14' ' ' LYS . 36.8 mt -59.06 -39.7 82.89 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.363 -0.836 . . . . 1.73 110.834 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.583 ' HB2' ' HB2' ' A' ' 125' ' ' LEU . . . -54.77 -41.75 70.88 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.718 -0.614 . . . . 0.43 111.033 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.416 ' HA ' ' SG ' ' A' ' 116' ' ' CYS . 20.6 m-80 -54.48 -39.93 68.0 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.582 -0.699 . . . . 1.52 110.588 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.653 ' HH2' HG21 ' A' ' 100' ' ' VAL . 92.6 m95 -75.6 -36.86 60.19 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.66 -0.65 . . . . 0.61 110.585 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.634 HG21 ' HB2' ' A' ' 10' ' ' ALA . 48.9 t -71.02 -56.47 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.597 -0.69 . . . . 0.28 110.952 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' SG ' ' N ' ' A' ' 32' ' ' MET . 21.7 p -56.16 -33.24 65.05 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.522 -0.736 . . . . 0.58 110.844 -179.814 68.746 -168.103 -142.682 104.513 2.016 103.445 135.884 -98.588 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.58 ' SD ' ' CG ' ' A' ' 109' ' ' TRP . 0.3 OUTLIER -63.75 -46.72 84.03 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.595 -0.691 . . . . 2.32 109.711 179.407 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB1' HG12 ' A' ' 57' ' ' ILE . . . -78.23 -22.52 48.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.623 -0.673 . . . . 0.54 110.551 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.463 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 3.6 tt0 -74.08 -21.16 60.03 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.619 -0.676 . . . . 2.48 110.42 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.603 ' HB3' ' HB1' ' A' ' 111' ' ' ALA . 0.4 OUTLIER -108.0 -34.55 6.87 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.314 -0.866 . . . . 2.83 110.821 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.465 ' HG2' ' HB2' ' A' ' 111' ' ' ALA . 1.1 mm-40 -68.33 -60.66 2.29 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.249 -0.907 . . . . 2.02 110.382 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.683 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 10.9 p -108.31 -9.27 15.5 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.417 -0.802 . . . . 1.51 111.482 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 37' ' ' SER . 2.7 m120 59.59 46.33 12.11 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.421 -0.799 . . . . 1.72 109.862 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.463 ' CE2' ' HG3' ' A' ' 34' ' ' GLU . 51.8 m-85 57.25 18.91 4.54 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.904 -0.497 . . . . 2.87 111.498 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.877 ' HB3' ' HB2' ' A' ' 43' ' ' ALA . 2.1 t30 -95.36 127.31 41.3 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.02 -1.05 . . . . 0.69 109.753 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.741 HG23 ' HG3' ' A' ' 42' ' ' GLN . 15.4 t -72.51 -27.28 62.15 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.568 -0.708 . . . . 1.99 111.414 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.741 ' HG3' HG23 ' A' ' 41' ' ' THR . 1.5 mt-30 -96.55 4.34 52.08 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.336 -0.853 . . . . 1.07 110.797 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.877 ' HB2' ' HB3' ' A' ' 40' ' ' ASN . . . -72.98 119.71 17.6 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.134 -0.979 . . . . 0.78 110.16 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.575 ' HB3' HD21 ' A' ' 85' ' ' LEU . 13.8 p90 -149.84 156.55 41.99 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.66 -0.65 . . . . 1.64 110.796 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -103.46 157.35 17.1 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.596 -0.69 . . . . 2.51 109.608 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.63 -45.98 1.01 Allowed Glycine 0 N--CA 1.497 2.704 0 N-CA-C 110.429 -1.068 . . . . 1.34 110.429 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.8 ptt85 -118.65 130.39 55.83 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.45 -1.029 . . . . 4.21 110.827 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.422 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 0.7 OUTLIER -117.69 -161.54 0.83 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.566 -0.709 . . . . 1.57 110.095 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.2 t -58.99 -42.44 90.03 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.39 -0.819 . . . . 1.32 110.154 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -104.14 26.82 8.33 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.685 -0.634 . . . . 1.53 109.819 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.76 21.92 78.79 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.422 -1.471 . . . . 0.84 109.422 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 48' ' ' ASN . 5.4 m -82.41 -173.27 4.48 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.554 -0.968 . . . . 1.43 110.915 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 p -146.29 152.11 38.63 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.513 -0.742 . . . . 0.87 110.114 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.49 ' HB3' ' CB ' ' A' ' 59' ' ' GLN . 72.6 m-20 -107.47 149.52 27.85 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.396 -0.815 . . . . 2.11 110.12 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.476 ' HD1' HD11 ' A' ' 85' ' ' LEU . 88.9 m-85 -145.47 146.1 31.35 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.405 -0.809 . . . . 2.91 111.099 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.25 -176.97 42.4 Favored Glycine 0 N--CA 1.497 2.744 0 C-N-CA 120.788 -0.72 . . . . 0.37 111.389 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.468 ' HA ' ' OG ' ' A' ' 37' ' ' SER . 1.3 tt -67.74 -33.95 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.933 -0.745 . . . . 1.35 110.494 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -82.71 -22.29 34.54 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.368 -0.832 . . . . 1.44 109.688 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.49 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 4.5 mt-30 58.08 64.01 1.62 Allowed 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.914 0.864 . . . . 1.63 108.734 -178.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.832 HD23 HG21 ' A' ' 99' ' ' VAL . 1.3 mp -72.07 137.8 47.39 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.191 0.52 . . . . 0.91 110.633 -178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -68.36 119.99 13.75 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.624 -0.673 . . . . 1.89 110.347 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.59 ' HB2' ' HB2' ' A' ' 68' ' ' SER . 89.6 p -80.86 72.52 7.86 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.283 -0.886 . . . . 1.39 109.703 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -158.74 -29.22 0.07 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.467 -0.771 . . . . 0.92 112.087 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.509 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 4.0 m95 -115.59 -1.77 12.66 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.864 -1.148 . . . . 0.68 110.853 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.797 ' CZ2' HG13 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -158.98 21.26 0.2 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.16 -0.963 . . . . 3.77 110.971 -179.322 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 41.8 t -168.62 141.39 2.88 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.878 -1.139 . . . . 0.82 111.131 -179.815 177.167 -141.426 163.451 104.642 2.02 104.296 49.851 -88.611 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' HG2' ' HB2' ' A' ' 75' ' ' ASN . 11.3 mmmt -91.94 129.38 37.91 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.749 -0.595 . . . . 1.61 110.412 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.59 ' HB2' ' HB2' ' A' ' 62' ' ' SER . 5.6 t -144.7 -155.7 0.63 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.435 -0.791 . . . . 0.76 109.853 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -88.05 21.08 2.86 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.358 -0.839 . . . . 2.51 110.264 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.41 ' HB2' ' HA ' ' A' ' 52' ' ' SER . 14.2 p -89.83 40.06 0.98 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.348 -0.845 . . . . 1.11 110.652 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.438 ' O ' ' HB3' ' A' ' 72' ' ' SER . 68.0 m80 55.05 64.32 1.84 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.4 -0.812 . . . . 2.5 109.925 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.438 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 10.3 t 65.6 161.31 0.14 Allowed 'General case' 0 N--CA 1.501 2.12 0 CA-C-O 121.358 0.599 . . . . 1.09 110.744 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.8 m -151.05 -176.37 5.52 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.36 -0.837 . . . . 0.5 110.075 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.509 ' HB3' ' HA ' ' A' ' 64' ' ' TRP . . . -77.3 -29.03 53.52 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.277 -0.889 . . . . 0.46 110.214 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.449 ' HB2' ' HG2' ' A' ' 67' ' ' LYS . 9.0 t-20 52.37 35.8 18.25 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.77 -0.581 . . . . 0.98 110.987 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.438 ' N ' ' HA ' ' A' ' 65' ' ' TRP . . . -60.32 -30.16 69.33 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.337 -0.852 . . . . 0.51 110.578 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.439 ' HB3' HG22 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -88.26 -10.64 48.99 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.325 -0.86 . . . . 0.54 110.282 179.051 -143.262 -140.039 -116.644 104.471 2.023 104.712 -45.935 -92.854 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.91 60.25 2.82 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 121.797 0.808 . . . . 0.7 111.079 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.461 ' O ' HG23 ' A' ' 79' ' ' ILE . 5.4 tp -161.42 126.1 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.755 -0.59 . . . . 2.01 109.859 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.7 mtt -62.53 153.56 31.43 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.515 -0.741 . . . . 2.04 109.964 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 2.2 m -88.62 53.69 2.8 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.376 -0.828 . . . . 1.06 110.549 -179.534 -88.611 49.851 163.451 104.296 2.02 104.642 -141.426 177.167 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.8 m -117.15 -40.53 3.09 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.531 -0.731 . . . . 1.46 110.084 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -93.13 54.87 2.21 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.413 -0.805 . . . . 3.02 110.659 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -122.47 -11.46 8.3 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.18 -0.95 . . . . 2.3 111.455 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 44' ' ' PHE . 1.9 mp -104.05 30.58 5.09 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.128 -0.982 . . . . 0.74 110.428 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -84.43 -176.81 6.41 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.379 -0.826 . . . . 1.23 110.212 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.464 ' HA ' ' HB3' ' A' ' 2' ' ' LYS . 1.9 m-20 -95.05 25.66 4.09 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.249 -0.907 . . . . 1.74 110.625 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -123.31 133.59 54.13 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.235 -0.916 . . . . 1.19 109.919 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 89' ' ' ILE . 7.0 tt -101.7 52.97 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.502 -0.749 . . . . 2.4 110.342 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -112.05 -49.64 2.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.199 -0.938 . . . . 1.45 110.391 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -74.92 -31.84 61.64 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.438 -0.789 . . . . 1.16 110.086 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -65.71 -33.81 76.75 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.65 -0.656 . . . . 1.19 109.607 179.103 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.1 mm -85.38 -34.11 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.664 -0.647 . . . . 1.06 109.603 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.39 -47.55 85.59 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.527 -0.733 . . . . 0.51 110.067 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.408 ' SG ' HG21 ' A' ' 79' ' ' ILE . 1.4 m -80.42 -20.82 43.05 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.463 -0.773 . . . . 0.96 110.465 179.308 -92.854 -45.935 -116.644 104.712 2.023 104.471 -140.039 -143.262 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -59.18 -39.76 83.57 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.395 -0.815 . . . . 0.44 110.088 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -62.48 -35.82 80.54 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.524 -0.735 . . . . 2.81 109.901 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -63.23 -38.85 92.77 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.664 -0.648 . . . . 2.61 109.895 178.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.832 HG21 HD23 ' A' ' 60' ' ' LEU . 48.5 t -67.71 -26.74 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.505 -0.747 . . . . 1.5 110.362 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.653 HG21 ' HH2' ' A' ' 29' ' ' TRP . 77.1 t -84.98 -38.86 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.417 -0.802 . . . . 1.31 110.519 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -75.12 -20.78 59.27 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.289 -0.882 . . . . 1.53 111.224 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.515 ' HB3' ' HD2' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -69.35 178.04 1.06 Allowed Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 121.244 -0.91 . . . . 2.26 109.991 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.515 ' HD2' ' HB3' ' A' ' 102' ' ' ASP . 40.9 Cg_endo -66.75 -27.35 44.56 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 O-C-N 123.506 1.266 . . . . 1.06 111.405 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -53.27 17.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.308 -0.87 . . . . 1.61 110.004 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 100' ' ' VAL . . . 73.62 -144.92 34.8 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.946 -1.262 . . . . 0.63 109.946 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -13.59 62.08 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.693 -0.886 . . . . 1.39 111.058 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.446 ' HA ' HG11 ' A' ' 113' ' ' VAL . 32.0 t -55.79 -36.75 67.74 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.48 -0.762 . . . . 0.88 110.831 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.04 92.0 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.459 -0.776 . . . . 0.67 110.094 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.58 ' CG ' ' SD ' ' A' ' 32' ' ' MET . 1.4 m-90 -83.13 96.98 8.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.414 -0.804 . . . . 0.53 110.071 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.8 t -58.42 -43.68 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.755 -0.591 . . . . 1.47 109.912 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.603 ' HB1' ' HB3' ' A' ' 35' ' ' TYR . . . -57.89 -26.99 62.89 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.555 -0.716 . . . . 0.52 110.96 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -78.23 -57.3 3.86 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.419 -0.801 . . . . 0.5 110.46 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.64 ' HA ' ' HB3' ' A' ' 117' ' ' LYS . 23.7 m -67.34 -18.9 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 121.382 -0.824 . . . . 1.01 111.664 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -103.5 -8.38 20.15 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.162 -0.961 . . . . 1.84 111.798 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.518 ' HA ' ' HD3' ' A' ' 119' ' ' LYS . 0.7 OUTLIER -133.57 8.74 3.92 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.919 -1.113 . . . . 2.09 112.077 -179.747 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 28' ' ' ASN . 1.2 m -156.24 -68.14 0.11 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.903 -1.123 . . . . 1.29 110.952 179.854 -98.588 135.884 -142.682 103.445 2.016 104.513 -168.103 68.746 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.64 ' HB3' ' HA ' ' A' ' 113' ' ' VAL . 8.0 tptt -59.13 -40.79 86.58 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.443 -0.786 . . . . 2.32 109.94 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -96.08 -39.96 4.16 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 109.52 -1.432 . . . . 0.81 109.52 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 115' ' ' HIS . 14.2 tttt -87.44 102.85 14.95 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.465 -1.021 . . . . 1.72 109.85 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.14 86.68 5.55 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.551 -0.718 . . . . 2.47 110.497 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.408 HD13 ' CE ' ' A' ' 119' ' ' LYS . 8.3 tp -98.81 136.83 38.28 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.453 -0.779 . . . . 2.33 110.004 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.5 m -103.52 34.32 3.0 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.406 -0.808 . . . . 2.1 110.764 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -135.37 7.35 3.34 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.199 -0.938 . . . . 3.05 111.864 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.488 ' CG ' ' HB1' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -70.44 -105.83 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.074 -1.016 . . . . 4.56 111.323 -179.678 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 1.01 HD11 ' HB1' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -67.46 -14.48 62.96 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.683 -1.261 . . . . 0.85 111.51 -179.44 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.14 97.3 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.159 -0.963 . . . . 1.23 110.373 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 t -95.5 20.4 9.59 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.613 -0.679 . . . . 1.57 110.461 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.522 ' HB2' ' HA ' ' A' ' 125' ' ' LEU . 7.5 m -119.47 -178.26 3.56 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.326 -0.859 . . . . 2.71 110.289 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 38.11 -150.96 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.396 0 CA-C-O 120.995 0.426 . . . . 3.8 111.913 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.502 2.174 0 O-C-N 120.969 -1.082 . . . . 4.63 111.238 -179.095 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.454 ' HA ' ' HB ' ' A' ' 57' ' ' ILE . 19.3 t . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 120.799 0.333 . . . . 2.1000000000000001 110.706 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HB3' ' HA ' ' A' ' 87' ' ' ASP . 18.1 ptmt -58.91 -172.6 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 CA-C-O 121.629 0.728 . . . . 1.48 112.05 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 5.6 mt -77.06 79.16 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 CA-C-O 121.754 0.787 . . . . 2.1200000000000001 109.028 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.01 -167.58 1.94 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.653 -0.654 . . . . 4.2800000000000002 110.632 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.413 ' HB2' ' HB3' ' A' ' 8' ' ' GLU . 18.3 m -139.59 -173.05 3.51 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.419 -0.801 . . . . 1.1899999999999999 110.644 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.438 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 36.4 mtmt -66.84 -57.71 6.48 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.508 -0.745 . . . . 3.0699999999999998 110.241 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.6 t -73.91 -38.35 64.36 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.398 -0.814 . . . . 0.56999999999999995 110.285 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 5' ' ' SER . 7.1 tp10 -56.25 -49.13 75.04 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.436 -0.79 . . . . 1.53 110.482 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 30' ' ' VAL . 2.1 tt -69.75 -32.86 71.63 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.452 -0.78 . . . . 1.1100000000000001 109.91 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 1.01 ' HB1' HD11 ' A' ' 125' ' ' LEU . . . -68.38 -43.23 77.78 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.654 -0.654 . . . . 0.38 110.712 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -71.38 -37.15 71.61 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.452 -0.78 . . . . 2.3100000000000001 110.15 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -65.47 -48.35 72.95 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.568 -0.707 . . . . 2.6499999999999999 110.141 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 29' ' ' TRP . 2.3 mp -66.02 -37.72 86.61 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.591 -0.693 . . . . 1.9299999999999999 110.25 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.555 ' HB2' HD11 ' A' ' 26' ' ' LEU . 8.8 tmtt? -59.32 -41.28 88.73 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.432 -0.792 . . . . 1.8300000000000001 110.137 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 t -63.48 -37.6 87.9 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.623 -0.673 . . . . 1.3999999999999999 110.902 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 1.9 ppp? -75.27 -27.3 59.34 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.352 -0.843 . . . . 1.6499999999999999 110.847 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.59 16.62 3.71 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 110.869 -0.892 . . . . 0.60999999999999999 110.869 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.526 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -87.12 -11.63 49.49 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.069 -1.254 . . . . 1.3500000000000001 111.092 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.444 ' HA ' ' HG ' ' A' ' 26' ' ' LEU . 8.5 p-10 -65.44 116.37 6.66 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.11 -0.994 . . . . 1.9399999999999999 110.139 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.25 19.14 70.07 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.901 -1.279 . . . . 0.57999999999999996 109.901 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.526 ' HB2' ' HA ' ' A' ' 18' ' ' MET . 66.9 t80 -62.0 122.85 16.51 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.351 -1.088 . . . . 1.6000000000000001 110.22 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 55.01 36.46 26.98 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.815 -0.553 . . . . 1.6200000000000001 110.536 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.32 -4.98 65.08 Favored Glycine 0 N--CA 1.497 2.726 0 N-CA-C 110.7 -0.96 . . . . 0.92000000000000004 110.7 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -89.07 103.12 15.76 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.16 -1.2 . . . . 1.52 109.802 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.9 t -59.65 172.47 0.7 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.704 -0.623 . . . . 1.25 110.813 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 14' ' ' LYS . 36.8 mt -59.06 -39.7 82.89 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.363 -0.836 . . . . 1.73 110.834 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.583 ' HB2' ' HB2' ' A' ' 125' ' ' LEU . . . -54.77 -41.75 70.88 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.718 -0.614 . . . . 0.42999999999999999 111.033 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.416 ' HA ' ' SG ' ' A' ' 116' ' ' CYS . 20.6 m-80 -54.48 -39.93 68.0 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.582 -0.699 . . . . 1.52 110.588 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.653 ' HH2' HG21 ' A' ' 100' ' ' VAL . 92.6 m95 -75.6 -36.86 60.19 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.66 -0.65 . . . . 0.60999999999999999 110.585 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.634 HG21 ' HB2' ' A' ' 10' ' ' ALA . 48.9 t -71.02 -56.47 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.597 -0.69 . . . . 0.28000000000000003 110.952 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' SG ' ' N ' ' A' ' 32' ' ' MET . 21.7 p -56.16 -33.24 65.05 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.522 -0.736 . . . . 0.57999999999999996 110.844 -179.814 68.746 -168.103 -142.682 104.513 2.016 103.445 135.884 -98.588 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.58 ' SD ' ' CG ' ' A' ' 109' ' ' TRP . 0.3 OUTLIER -63.75 -46.72 84.03 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.595 -0.691 . . . . 2.3199999999999998 109.711 179.407 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB1' HG12 ' A' ' 57' ' ' ILE . . . -78.23 -22.52 48.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.623 -0.673 . . . . 0.54000000000000004 110.551 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.463 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 3.6 tt0 -74.08 -21.16 60.03 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.619 -0.676 . . . . 2.48 110.42 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.603 ' HB3' ' HB1' ' A' ' 111' ' ' ALA . 0.4 OUTLIER -108.0 -34.55 6.87 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.314 -0.866 . . . . 2.8300000000000001 110.821 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.465 ' HG2' ' HB2' ' A' ' 111' ' ' ALA . 1.1 mm-40 -68.33 -60.66 2.29 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.249 -0.907 . . . . 2.02 110.382 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.683 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . 10.9 p -108.31 -9.27 15.5 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.417 -0.802 . . . . 1.51 111.482 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 37' ' ' SER . 1.2 m-80 59.59 46.33 12.11 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.421 -0.799 . . . . 1.72 109.862 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.463 ' CE2' ' HG3' ' A' ' 34' ' ' GLU . 51.8 m-85 57.25 18.91 4.54 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.904 -0.497 . . . . 2.8700000000000001 111.498 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.877 ' HB3' ' HB2' ' A' ' 43' ' ' ALA . 2.1 t30 -95.36 127.31 41.3 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.02 -1.05 . . . . 0.68999999999999995 109.753 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.741 HG23 ' HG3' ' A' ' 42' ' ' GLN . 15.4 t -72.51 -27.28 62.15 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.568 -0.708 . . . . 1.99 111.414 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.741 ' HG3' HG23 ' A' ' 41' ' ' THR . 1.5 mt-30 -96.55 4.34 52.08 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.336 -0.853 . . . . 1.0700000000000001 110.797 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.877 ' HB2' ' HB3' ' A' ' 40' ' ' ASN . . . -72.98 119.71 17.6 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.134 -0.979 . . . . 0.78000000000000003 110.16 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.575 ' HB3' HD21 ' A' ' 85' ' ' LEU . 13.8 p90 -149.84 156.55 41.99 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.66 -0.65 . . . . 1.6399999999999999 110.796 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -103.46 157.35 17.1 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.596 -0.69 . . . . 2.5099999999999998 109.608 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.63 -45.98 1.01 Allowed Glycine 0 N--CA 1.497 2.704 0 N-CA-C 110.429 -1.068 . . . . 1.3400000000000001 110.429 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.8 ptt85 -118.65 130.39 55.83 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.45 -1.029 . . . . 4.21 110.827 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.422 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 0.7 OUTLIER -117.69 -161.54 0.83 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.566 -0.709 . . . . 1.5700000000000001 110.095 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.2 t -58.99 -42.44 90.03 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.39 -0.819 . . . . 1.3200000000000001 110.154 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -104.14 26.82 8.33 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.685 -0.634 . . . . 1.53 109.819 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.76 21.92 78.79 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.422 -1.471 . . . . 0.83999999999999997 109.422 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 48' ' ' ASN . 5.4 m -82.41 -173.27 4.48 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.554 -0.968 . . . . 1.4299999999999999 110.915 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 p -146.29 152.11 38.63 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.513 -0.742 . . . . 0.87 110.114 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.49 ' HB3' ' CB ' ' A' ' 59' ' ' GLN . 72.6 m-20 -107.47 149.52 27.85 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.396 -0.815 . . . . 2.1099999999999999 110.12 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.476 ' HD1' HD11 ' A' ' 85' ' ' LEU . 88.9 m-85 -145.47 146.1 31.35 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.405 -0.809 . . . . 2.9100000000000001 111.099 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.25 -176.97 42.4 Favored Glycine 0 N--CA 1.497 2.744 0 C-N-CA 120.788 -0.72 . . . . 0.37 111.389 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.468 ' HA ' ' OG ' ' A' ' 37' ' ' SER . 1.3 tt -67.74 -33.95 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.933 -0.745 . . . . 1.3500000000000001 110.494 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -82.71 -22.29 34.54 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.368 -0.832 . . . . 1.4399999999999999 109.688 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.49 ' CB ' ' HB3' ' A' ' 54' ' ' ASP . 4.5 mt-30 58.08 64.01 1.62 Allowed 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.914 0.864 . . . . 1.6299999999999999 108.734 -178.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.832 HD23 HG21 ' A' ' 99' ' ' VAL . 1.3 mp -72.07 137.8 47.39 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.191 0.52 . . . . 0.91000000000000003 110.633 -178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -68.36 119.99 13.75 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.624 -0.673 . . . . 1.8899999999999999 110.347 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.59 ' HB2' ' HB2' ' A' ' 68' ' ' SER . 89.6 p -80.86 72.52 7.86 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.283 -0.886 . . . . 1.3899999999999999 109.703 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HB3' ' CD1' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -158.74 -29.22 0.07 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.467 -0.771 . . . . 0.92000000000000004 112.087 -179.088 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.509 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 4.0 m95 -115.59 -1.77 12.66 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.864 -1.148 . . . . 0.68000000000000005 110.853 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.797 ' CZ2' HG13 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -158.98 21.26 0.2 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.16 -0.963 . . . . 3.77 110.971 -179.322 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 41.8 t -168.62 141.39 2.88 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.878 -1.139 . . . . 0.81999999999999995 111.131 -179.815 177.167 -141.426 163.451 104.642 2.02 104.296 49.851 -88.611 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' HG2' ' HB2' ' A' ' 75' ' ' ASN . 11.3 mmmt -91.94 129.38 37.91 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.749 -0.595 . . . . 1.6100000000000001 110.412 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.59 ' HB2' ' HB2' ' A' ' 62' ' ' SER . 5.6 t -144.7 -155.7 0.63 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.435 -0.791 . . . . 0.76000000000000001 109.853 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -88.05 21.08 2.86 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.358 -0.839 . . . . 2.5099999999999998 110.264 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.41 ' HB2' ' HA ' ' A' ' 52' ' ' SER . 14.2 p -89.83 40.06 0.98 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.348 -0.845 . . . . 1.1100000000000001 110.652 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.438 ' O ' ' HB3' ' A' ' 72' ' ' SER . 68.0 m80 55.05 64.32 1.84 Allowed 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.4 -0.812 . . . . 2.5 109.925 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.438 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 10.3 t 65.6 161.31 0.14 Allowed 'General case' 0 N--CA 1.501 2.12 0 CA-C-O 121.358 0.599 . . . . 1.0900000000000001 110.744 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.8 m -151.05 -176.37 5.52 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.36 -0.837 . . . . 0.5 110.075 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.509 ' HB3' ' HA ' ' A' ' 64' ' ' TRP . . . -77.3 -29.03 53.52 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.277 -0.889 . . . . 0.46000000000000002 110.214 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.449 ' HB2' ' HG2' ' A' ' 67' ' ' LYS . 9.0 t-20 52.37 35.8 18.25 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.77 -0.581 . . . . 0.97999999999999998 110.987 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.438 ' N ' ' HA ' ' A' ' 65' ' ' TRP . . . -60.32 -30.16 69.33 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.337 -0.852 . . . . 0.51000000000000001 110.578 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.439 ' HB3' HG22 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -88.26 -10.64 48.99 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.325 -0.86 . . . . 0.54000000000000004 110.282 179.051 -143.262 -140.039 -116.644 104.471 2.023 104.712 -45.935 -92.854 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.91 60.25 2.82 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 121.797 0.808 . . . . 0.69999999999999996 111.079 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 79' ' ' ILE . 5.4 tp -161.42 126.1 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.755 -0.59 . . . . 2.0099999999999998 109.859 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.7 mtt -62.53 153.56 31.43 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.515 -0.741 . . . . 2.04 109.964 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 2.2 m -88.62 53.69 2.8 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.376 -0.828 . . . . 1.0600000000000001 110.549 -179.534 -88.611 49.851 163.451 104.296 2.02 104.642 -141.426 177.167 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.8 m -117.15 -40.53 3.09 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.531 -0.731 . . . . 1.46 110.084 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -93.13 54.87 2.21 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.413 -0.805 . . . . 3.02 110.659 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -122.47 -11.46 8.3 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.18 -0.95 . . . . 2.2999999999999998 111.455 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 44' ' ' PHE . 1.9 mp -104.05 30.58 5.09 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.128 -0.982 . . . . 0.73999999999999999 110.428 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -84.43 -176.81 6.41 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.379 -0.826 . . . . 1.23 110.212 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.464 ' HA ' ' HB3' ' A' ' 2' ' ' LYS . 1.9 m-20 -95.05 25.66 4.09 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.249 -0.907 . . . . 1.74 110.625 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -123.31 133.59 54.13 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.235 -0.916 . . . . 1.1899999999999999 109.919 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 89' ' ' ILE . 7.0 tt -101.7 52.97 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.502 -0.749 . . . . 2.3999999999999999 110.342 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -112.05 -49.64 2.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.199 -0.938 . . . . 1.45 110.391 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -74.92 -31.84 61.64 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.438 -0.789 . . . . 1.1599999999999999 110.086 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -65.71 -33.81 76.75 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.65 -0.656 . . . . 1.1899999999999999 109.607 179.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.1 mm -85.38 -34.11 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.664 -0.647 . . . . 1.0600000000000001 109.603 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.39 -47.55 85.59 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.527 -0.733 . . . . 0.51000000000000001 110.067 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.408 ' SG ' HG21 ' A' ' 79' ' ' ILE . 1.4 m -80.42 -20.82 43.05 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.463 -0.773 . . . . 0.95999999999999996 110.465 179.308 -92.854 -45.935 -116.644 104.712 2.023 104.471 -140.039 -143.262 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 92' ' ' ASP . . . -59.18 -39.76 83.57 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.395 -0.815 . . . . 0.44 110.088 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -62.48 -35.82 80.54 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.524 -0.735 . . . . 2.8100000000000001 109.901 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -63.23 -38.85 92.77 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.664 -0.648 . . . . 2.6099999999999999 109.895 178.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.832 HG21 HD23 ' A' ' 60' ' ' LEU . 48.5 t -67.71 -26.74 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.505 -0.747 . . . . 1.5 110.362 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.653 HG21 ' HH2' ' A' ' 29' ' ' TRP . 77.1 t -84.98 -38.86 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.417 -0.802 . . . . 1.3100000000000001 110.519 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -75.12 -20.78 59.27 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.289 -0.882 . . . . 1.53 111.224 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.515 ' HB3' ' HD2' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -69.35 178.04 1.06 Allowed Pre-proline 0 N--CA 1.5 2.044 0 O-C-N 121.244 -0.91 . . . . 2.2599999999999998 109.991 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.515 ' HD2' ' HB3' ' A' ' 102' ' ' ASP . 40.9 Cg_endo -66.75 -27.35 44.56 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 O-C-N 123.506 1.266 . . . . 1.0600000000000001 111.405 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -53.27 17.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.308 -0.87 . . . . 1.6100000000000001 110.004 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 100' ' ' VAL . . . 73.62 -144.92 34.8 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.946 -1.262 . . . . 0.63 109.946 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -13.59 62.08 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.693 -0.886 . . . . 1.3899999999999999 111.058 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.446 ' HA ' HG11 ' A' ' 113' ' ' VAL . 32.0 t -55.79 -36.75 67.74 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.48 -0.762 . . . . 0.88 110.831 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.04 92.0 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.459 -0.776 . . . . 0.67000000000000004 110.094 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.58 ' CG ' ' SD ' ' A' ' 32' ' ' MET . 1.4 m-90 -83.13 96.98 8.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.414 -0.804 . . . . 0.53000000000000003 110.071 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.8 t -58.42 -43.68 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.755 -0.591 . . . . 1.47 109.912 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.603 ' HB1' ' HB3' ' A' ' 35' ' ' TYR . . . -57.89 -26.99 62.89 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.555 -0.716 . . . . 0.52000000000000002 110.96 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -78.23 -57.3 3.86 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.419 -0.801 . . . . 0.5 110.46 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.64 ' HA ' ' HB3' ' A' ' 117' ' ' LYS . 23.7 m -67.34 -18.9 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 121.382 -0.824 . . . . 1.01 111.664 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -103.5 -8.38 20.15 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.162 -0.961 . . . . 1.8400000000000001 111.798 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.518 ' HA ' ' HD3' ' A' ' 119' ' ' LYS . 0.7 OUTLIER -133.57 8.74 3.92 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.919 -1.113 . . . . 2.0899999999999999 112.077 -179.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 28' ' ' ASN . 1.2 m -156.24 -68.14 0.11 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.903 -1.123 . . . . 1.29 110.952 179.854 -98.588 135.884 -142.682 103.445 2.016 104.513 -168.103 68.746 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.64 ' HB3' ' HA ' ' A' ' 113' ' ' VAL . 8.0 tptt -59.13 -40.79 86.58 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.443 -0.786 . . . . 2.3199999999999998 109.94 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -96.08 -39.96 4.16 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 109.52 -1.432 . . . . 0.81000000000000005 109.52 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 115' ' ' HIS . 14.2 tttt -87.44 102.85 14.95 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.465 -1.021 . . . . 1.72 109.85 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.14 86.68 5.55 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.551 -0.718 . . . . 2.4700000000000002 110.497 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.408 HD13 ' CE ' ' A' ' 119' ' ' LYS . 8.3 tp -98.81 136.83 38.28 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.453 -0.779 . . . . 2.3300000000000001 110.004 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.5 m -103.52 34.32 3.0 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.406 -0.808 . . . . 2.1000000000000001 110.764 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -135.37 7.35 3.34 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.199 -0.938 . . . . 3.0499999999999998 111.864 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.488 ' CG ' ' HB1' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -70.44 -105.83 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.074 -1.016 . . . . 4.5599999999999996 111.323 -179.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 1.01 HD11 ' HB1' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -67.46 -14.48 62.96 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.683 -1.261 . . . . 0.84999999999999998 111.51 -179.44 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.14 97.3 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.159 -0.963 . . . . 1.23 110.373 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 t -95.5 20.4 9.59 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.613 -0.679 . . . . 1.5700000000000001 110.461 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.522 ' HB2' ' HA ' ' A' ' 125' ' ' LEU . 7.5 m -119.47 -178.26 3.56 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.326 -0.859 . . . . 2.71 110.289 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 38.11 -150.96 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.396 0 CA-C-O 120.995 0.426 . . . . 3.7999999999999998 111.913 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.502 2.174 0 O-C-N 120.969 -1.082 . . . . 4.6299999999999999 111.238 -179.095 . . . . . . . . 0 0 . 1 stop_ save_